USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 972 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 59 THR OG1 : rot -57:sc= 0.15 USER MOD Set 1.2: A 60 HIS : no HD1:sc= 0.499 K(o=0.65,f=-0.71) USER MOD Set 2.1: A 58 ASN : amide:sc= -2.67! C(o=-1.4!,f=-7.1!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.467) USER MOD Single : A 1 MET CE :methyl -113:sc= 0 (180deg=-1.6!) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.459 (180deg=0.267) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0535) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0759 USER MOD Single : A 6 GLN : amide:sc= -1.11 K(o=-1.1,f=-7.8!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.3!) USER MOD Single : A 10 CYS SG : rot 108:sc= 0.0952 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -17:sc= -2.86! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.406 (180deg=-0.103) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 35 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 1.05 (180deg=0.489) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 THR OG1 : rot -74:sc= 1.17 USER MOD Single : A 54 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 0.572 (180deg=-0.48) USER MOD Single : A 64 TYR OH : rot 130:sc= -0.07 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.153 K(o=0.15,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0121) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 82:sc= 0.129 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.589 (180deg=0.494) USER MOD Single : A 86 SER OG : rot 81:sc= 1.08 USER MOD Single : A 87 SER OG : rot 80:sc= 1.24 USER MOD Single : A 90 MET CE :methyl -138:sc= -2.34! (180deg=-4.44!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 136:sc= -0.825 (180deg=-1.67!) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0413) USER MOD Single : A 104 THR OG1 : rot 100:sc= -0.0404 USER MOD Single : A 108 LYS NZ :NH3+ -173:sc=-0.000742 (180deg=-0.0774) USER MOD Single : A 111 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.11) USER MOD Single : A 112 TYR OH : rot 64:sc= 0.221 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.718 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.094 -0.030 0.751 1.00 0.00 N ATOM 2 CA MET A 1 2.433 -0.205 -0.672 1.00 0.00 C ATOM 3 C MET A 1 3.604 -1.194 -0.807 1.00 0.00 C ATOM 4 O MET A 1 3.888 -1.926 0.150 1.00 0.00 O ATOM 5 CB MET A 1 2.702 1.191 -1.315 1.00 0.00 C ATOM 6 CG MET A 1 3.743 2.070 -0.606 1.00 0.00 C ATOM 7 SD MET A 1 3.699 3.784 -1.186 1.00 0.00 S ATOM 8 CE MET A 1 4.772 4.618 -0.016 1.00 0.00 C ATOM 0 H1 MET A 1 1.450 0.780 0.857 1.00 0.00 H new ATOM 0 H2 MET A 1 1.630 -0.890 1.106 1.00 0.00 H new ATOM 0 H3 MET A 1 2.963 0.144 1.296 1.00 0.00 H new ATOM 0 HA MET A 1 1.601 -0.643 -1.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.025 1.038 -2.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.760 1.738 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.564 2.047 0.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.738 1.657 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.183 5.306 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.249 3.881 0.630 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.537 5.175 -0.557 1.00 0.00 H new ATOM 18 N ILE A 2 4.238 -1.252 -2.006 1.00 0.00 N ATOM 19 CA ILE A 2 5.354 -2.188 -2.315 1.00 0.00 C ATOM 20 C ILE A 2 6.442 -2.122 -1.238 1.00 0.00 C ATOM 21 O ILE A 2 7.165 -1.148 -1.172 1.00 0.00 O ATOM 22 CB ILE A 2 5.992 -1.876 -3.730 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.924 -2.015 -4.860 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.240 -2.762 -4.023 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.374 -1.554 -6.230 1.00 0.00 C ATOM 0 H ILE A 2 3.990 -0.649 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 2 4.933 -3.193 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 2 6.338 -0.843 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.622 -3.060 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.040 -1.445 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.642 -2.511 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.000 -2.582 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.952 -3.813 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.563 -1.691 -6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.646 -0.499 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.238 -2.139 -6.545 1.00 0.00 H new ATOM 37 N LYS A 3 6.518 -3.164 -0.406 1.00 0.00 N ATOM 38 CA LYS A 3 7.421 -3.215 0.760 1.00 0.00 C ATOM 39 C LYS A 3 8.886 -3.246 0.313 1.00 0.00 C ATOM 40 O LYS A 3 9.483 -4.318 0.149 1.00 0.00 O ATOM 41 CB LYS A 3 7.077 -4.440 1.639 1.00 0.00 C ATOM 42 CG LYS A 3 5.599 -4.530 2.051 1.00 0.00 C ATOM 43 CD LYS A 3 5.155 -3.359 2.953 1.00 0.00 C ATOM 44 CE LYS A 3 3.667 -3.429 3.310 1.00 0.00 C ATOM 45 NZ LYS A 3 3.325 -4.661 4.064 1.00 0.00 N ATOM 0 H LYS A 3 5.953 -4.005 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 3 7.280 -2.313 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.347 -5.347 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.691 -4.410 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.978 -4.548 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.430 -5.470 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.746 -3.365 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.361 -2.416 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.397 -2.556 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.074 -3.389 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.337 -4.608 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.445 -5.490 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.953 -4.749 4.888 1.00 0.00 H new ATOM 59 N PHE A 4 9.422 -2.050 0.069 1.00 0.00 N ATOM 60 CA PHE A 4 10.798 -1.851 -0.371 1.00 0.00 C ATOM 61 C PHE A 4 11.707 -1.887 0.859 1.00 0.00 C ATOM 62 O PHE A 4 11.920 -0.863 1.527 1.00 0.00 O ATOM 63 CB PHE A 4 10.943 -0.519 -1.167 1.00 0.00 C ATOM 64 CG PHE A 4 12.381 -0.195 -1.603 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.043 -0.995 -2.537 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.076 0.891 -1.057 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.346 -0.711 -2.922 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.376 1.170 -1.444 1.00 0.00 C ATOM 69 CZ PHE A 4 15.011 0.369 -2.371 1.00 0.00 C ATOM 0 H PHE A 4 8.901 -1.179 0.174 1.00 0.00 H new ATOM 0 HA PHE A 4 11.092 -2.648 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.310 -0.568 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.569 0.300 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.534 -1.846 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.592 1.519 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.841 -1.334 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.894 2.017 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.027 0.586 -2.666 1.00 0.00 H new ATOM 79 N TYR A 5 12.179 -3.088 1.193 1.00 0.00 N ATOM 80 CA TYR A 5 13.130 -3.283 2.276 1.00 0.00 C ATOM 81 C TYR A 5 14.522 -2.830 1.818 1.00 0.00 C ATOM 82 O TYR A 5 14.937 -3.124 0.684 1.00 0.00 O ATOM 83 CB TYR A 5 13.132 -4.752 2.749 1.00 0.00 C ATOM 84 CG TYR A 5 11.849 -5.172 3.501 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.748 -5.701 2.827 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.746 -5.041 4.891 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.608 -6.085 3.501 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.605 -5.422 5.563 1.00 0.00 C ATOM 89 CZ TYR A 5 9.540 -5.945 4.863 1.00 0.00 C ATOM 90 OH TYR A 5 8.402 -6.334 5.537 1.00 0.00 O ATOM 0 H TYR A 5 11.910 -3.950 0.718 1.00 0.00 H new ATOM 0 HA TYR A 5 12.834 -2.676 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.263 -5.401 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.991 -4.912 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.789 -5.812 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.577 -4.633 5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.770 -6.495 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.546 -5.311 6.636 1.00 0.00 H new ATOM 0 HH TYR A 5 8.517 -6.169 6.496 1.00 0.00 H new ATOM 100 N GLN A 6 15.206 -2.068 2.684 1.00 0.00 N ATOM 101 CA GLN A 6 16.597 -1.636 2.458 1.00 0.00 C ATOM 102 C GLN A 6 17.293 -1.458 3.810 1.00 0.00 C ATOM 103 O GLN A 6 16.660 -1.544 4.849 1.00 0.00 O ATOM 104 CB GLN A 6 16.655 -0.310 1.614 1.00 0.00 C ATOM 105 CG GLN A 6 16.482 1.029 2.394 1.00 0.00 C ATOM 106 CD GLN A 6 15.066 1.366 2.889 1.00 0.00 C ATOM 107 OE1 GLN A 6 14.236 0.505 3.140 1.00 0.00 O ATOM 108 NE2 GLN A 6 14.806 2.650 3.072 1.00 0.00 N ATOM 0 H GLN A 6 14.811 -1.732 3.563 1.00 0.00 H new ATOM 0 HA GLN A 6 17.117 -2.402 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.613 -0.279 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.880 -0.360 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.147 1.007 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.820 1.842 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.515 3.350 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.896 2.940 3.430 1.00 0.00 H new ATOM 117 N TYR A 7 18.603 -1.227 3.787 1.00 0.00 N ATOM 118 CA TYR A 7 19.363 -0.812 4.975 1.00 0.00 C ATOM 119 C TYR A 7 20.662 -0.155 4.520 1.00 0.00 C ATOM 120 O TYR A 7 21.253 -0.593 3.519 1.00 0.00 O ATOM 121 CB TYR A 7 19.657 -2.004 5.923 1.00 0.00 C ATOM 122 CG TYR A 7 20.188 -1.574 7.297 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.321 -1.045 8.260 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.544 -1.665 7.628 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.786 -0.624 9.487 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.009 -1.251 8.858 1.00 0.00 C ATOM 127 CZ TYR A 7 21.129 -0.729 9.783 1.00 0.00 C ATOM 128 OH TYR A 7 21.595 -0.297 11.004 1.00 0.00 O ATOM 0 H TYR A 7 19.173 -1.321 2.946 1.00 0.00 H new ATOM 0 HA TYR A 7 18.762 -0.101 5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.744 -2.583 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.385 -2.663 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.267 -0.965 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.240 -2.067 6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.101 -0.213 10.214 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.059 -1.335 9.097 1.00 0.00 H new ATOM 0 HH TYR A 7 22.563 -0.442 11.055 1.00 0.00 H new ATOM 138 N LYS A 8 21.080 0.886 5.277 1.00 0.00 N ATOM 139 CA LYS A 8 22.274 1.715 5.003 1.00 0.00 C ATOM 140 C LYS A 8 22.047 2.614 3.759 1.00 0.00 C ATOM 141 O LYS A 8 21.329 2.233 2.821 1.00 0.00 O ATOM 142 CB LYS A 8 23.555 0.824 4.857 1.00 0.00 C ATOM 143 CG LYS A 8 24.882 1.590 4.643 1.00 0.00 C ATOM 144 CD LYS A 8 26.103 0.651 4.495 1.00 0.00 C ATOM 145 CE LYS A 8 26.316 -0.267 5.718 1.00 0.00 C ATOM 146 NZ LYS A 8 27.553 -1.082 5.590 1.00 0.00 N ATOM 0 H LYS A 8 20.582 1.179 6.117 1.00 0.00 H new ATOM 0 HA LYS A 8 22.437 2.375 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.652 0.209 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.409 0.144 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.797 2.211 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.047 2.262 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.974 0.035 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.999 1.252 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.373 0.340 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.456 -0.927 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.660 -1.685 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 27.489 -1.680 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 28.377 -0.452 5.508 1.00 0.00 H new ATOM 160 N ASN A 9 22.641 3.820 3.774 1.00 0.00 N ATOM 161 CA ASN A 9 22.579 4.767 2.642 1.00 0.00 C ATOM 162 C ASN A 9 23.424 4.224 1.472 1.00 0.00 C ATOM 163 O ASN A 9 24.594 4.586 1.301 1.00 0.00 O ATOM 164 CB ASN A 9 23.068 6.174 3.090 1.00 0.00 C ATOM 165 CG ASN A 9 22.206 6.827 4.175 1.00 0.00 C ATOM 166 OD1 ASN A 9 21.577 6.152 4.997 1.00 0.00 O ATOM 167 ND2 ASN A 9 22.193 8.148 4.207 1.00 0.00 N ATOM 0 H ASN A 9 23.177 4.167 4.569 1.00 0.00 H new ATOM 0 HA ASN A 9 21.547 4.868 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 9 24.091 6.090 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 9 23.094 6.830 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.654 8.636 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 9 22.722 8.680 3.516 1.00 0.00 H new ATOM 174 N CYS A 10 22.827 3.294 0.718 1.00 0.00 N ATOM 175 CA CYS A 10 23.484 2.566 -0.370 1.00 0.00 C ATOM 176 C CYS A 10 23.118 3.189 -1.719 1.00 0.00 C ATOM 177 O CYS A 10 21.984 3.648 -1.898 1.00 0.00 O ATOM 178 CB CYS A 10 23.038 1.086 -0.337 1.00 0.00 C ATOM 179 SG CYS A 10 23.365 0.262 1.239 1.00 0.00 S ATOM 0 H CYS A 10 21.853 3.022 0.851 1.00 0.00 H new ATOM 0 HA CYS A 10 24.565 2.625 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 10 21.970 1.033 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 10 23.549 0.544 -1.133 1.00 0.00 H new ATOM 0 HG CYS A 10 22.245 0.073 1.871 1.00 0.00 H new ATOM 185 N THR A 11 24.075 3.169 -2.661 1.00 0.00 N ATOM 186 CA THR A 11 23.853 3.594 -4.055 1.00 0.00 C ATOM 187 C THR A 11 22.807 2.685 -4.739 1.00 0.00 C ATOM 188 O THR A 11 22.091 3.122 -5.630 1.00 0.00 O ATOM 189 CB THR A 11 25.192 3.602 -4.875 1.00 0.00 C ATOM 190 OG1 THR A 11 24.954 4.100 -6.206 1.00 0.00 O ATOM 191 CG2 THR A 11 25.862 2.206 -4.945 1.00 0.00 C ATOM 0 H THR A 11 25.028 2.857 -2.478 1.00 0.00 H new ATOM 0 HA THR A 11 23.471 4.614 -4.032 1.00 0.00 H new ATOM 0 HB THR A 11 25.882 4.262 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.795 4.103 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.783 2.273 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 26.092 1.862 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 11 25.183 1.500 -5.424 1.00 0.00 H new ATOM 199 N THR A 12 22.746 1.420 -4.282 1.00 0.00 N ATOM 200 CA THR A 12 21.736 0.433 -4.699 1.00 0.00 C ATOM 201 C THR A 12 20.317 0.934 -4.351 1.00 0.00 C ATOM 202 O THR A 12 19.428 0.954 -5.205 1.00 0.00 O ATOM 203 CB THR A 12 22.002 -0.937 -3.991 1.00 0.00 C ATOM 204 OG1 THR A 12 23.366 -1.330 -4.217 1.00 0.00 O ATOM 205 CG2 THR A 12 21.055 -2.050 -4.478 1.00 0.00 C ATOM 0 H THR A 12 23.409 1.050 -3.601 1.00 0.00 H new ATOM 0 HA THR A 12 21.807 0.299 -5.778 1.00 0.00 H new ATOM 0 HB THR A 12 21.813 -0.798 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.537 -2.187 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.284 -2.978 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.023 -1.764 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.187 -2.197 -5.550 1.00 0.00 H new ATOM 213 N CYS A 13 20.162 1.375 -3.086 1.00 0.00 N ATOM 214 CA CYS A 13 18.896 1.912 -2.540 1.00 0.00 C ATOM 215 C CYS A 13 18.513 3.231 -3.240 1.00 0.00 C ATOM 216 O CYS A 13 17.338 3.466 -3.529 1.00 0.00 O ATOM 217 CB CYS A 13 19.035 2.135 -1.011 1.00 0.00 C ATOM 218 SG CYS A 13 17.612 2.937 -0.232 1.00 0.00 S ATOM 0 H CYS A 13 20.922 1.369 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 13 18.103 1.188 -2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.200 1.171 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.923 2.740 -0.825 1.00 0.00 H new ATOM 0 HG CYS A 13 16.876 3.497 -1.145 1.00 0.00 H new ATOM 224 N LYS A 14 19.533 4.063 -3.532 1.00 0.00 N ATOM 225 CA LYS A 14 19.358 5.374 -4.193 1.00 0.00 C ATOM 226 C LYS A 14 18.834 5.207 -5.627 1.00 0.00 C ATOM 227 O LYS A 14 17.849 5.834 -6.006 1.00 0.00 O ATOM 228 CB LYS A 14 20.701 6.170 -4.200 1.00 0.00 C ATOM 229 CG LYS A 14 21.151 6.683 -2.811 1.00 0.00 C ATOM 230 CD LYS A 14 20.143 7.683 -2.190 1.00 0.00 C ATOM 231 CE LYS A 14 19.996 8.983 -3.008 1.00 0.00 C ATOM 232 NZ LYS A 14 18.895 9.837 -2.496 1.00 0.00 N ATOM 0 H LYS A 14 20.505 3.844 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 14 18.619 5.937 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.485 5.532 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.600 7.022 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.277 5.835 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.125 7.164 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.169 7.202 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.464 7.932 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.932 9.540 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.808 8.735 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.829 10.700 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.997 9.315 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.087 10.095 -1.507 1.00 0.00 H new ATOM 246 N LYS A 15 19.495 4.329 -6.393 1.00 0.00 N ATOM 247 CA LYS A 15 19.170 4.062 -7.805 1.00 0.00 C ATOM 248 C LYS A 15 17.815 3.344 -7.941 1.00 0.00 C ATOM 249 O LYS A 15 17.069 3.586 -8.901 1.00 0.00 O ATOM 250 CB LYS A 15 20.300 3.219 -8.458 1.00 0.00 C ATOM 251 CG LYS A 15 21.645 3.961 -8.651 1.00 0.00 C ATOM 252 CD LYS A 15 21.556 5.125 -9.667 1.00 0.00 C ATOM 253 CE LYS A 15 21.207 4.650 -11.086 1.00 0.00 C ATOM 254 NZ LYS A 15 21.097 5.779 -12.038 1.00 0.00 N ATOM 0 H LYS A 15 20.280 3.777 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 15 19.092 5.017 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.475 2.336 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.954 2.867 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.979 4.351 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.400 3.250 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.802 5.838 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.508 5.655 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.972 3.956 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.265 4.102 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.860 5.415 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.350 6.429 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.003 6.287 -12.080 1.00 0.00 H new ATOM 268 N ALA A 16 17.520 2.452 -6.977 1.00 0.00 N ATOM 269 CA ALA A 16 16.245 1.714 -6.921 1.00 0.00 C ATOM 270 C ALA A 16 15.080 2.695 -6.697 1.00 0.00 C ATOM 271 O ALA A 16 14.129 2.726 -7.473 1.00 0.00 O ATOM 272 CB ALA A 16 16.296 0.646 -5.818 1.00 0.00 C ATOM 0 H ALA A 16 18.159 2.223 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 16 16.082 1.205 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.348 0.109 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.104 -0.055 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.472 1.126 -4.855 1.00 0.00 H new ATOM 278 N ALA A 17 15.228 3.542 -5.663 1.00 0.00 N ATOM 279 CA ALA A 17 14.237 4.581 -5.299 1.00 0.00 C ATOM 280 C ALA A 17 14.075 5.631 -6.426 1.00 0.00 C ATOM 281 O ALA A 17 12.983 6.147 -6.643 1.00 0.00 O ATOM 282 CB ALA A 17 14.652 5.266 -3.987 1.00 0.00 C ATOM 0 H ALA A 17 16.043 3.528 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 17 13.272 4.093 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.918 6.029 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.703 4.524 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.630 5.731 -4.113 1.00 0.00 H new ATOM 288 N LYS A 18 15.191 5.907 -7.125 1.00 0.00 N ATOM 289 CA LYS A 18 15.256 6.847 -8.266 1.00 0.00 C ATOM 290 C LYS A 18 14.384 6.357 -9.433 1.00 0.00 C ATOM 291 O LYS A 18 13.564 7.111 -9.961 1.00 0.00 O ATOM 292 CB LYS A 18 16.743 7.003 -8.734 1.00 0.00 C ATOM 293 CG LYS A 18 17.012 7.866 -10.006 1.00 0.00 C ATOM 294 CD LYS A 18 17.012 9.409 -9.767 1.00 0.00 C ATOM 295 CE LYS A 18 15.609 10.033 -9.633 1.00 0.00 C ATOM 296 NZ LYS A 18 14.749 9.767 -10.826 1.00 0.00 N ATOM 0 H LYS A 18 16.091 5.477 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 18 14.873 7.815 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.312 7.433 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 18 17.146 6.006 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.976 7.578 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.256 7.629 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.580 9.624 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.534 9.892 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.122 9.636 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.705 11.109 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.045 10.526 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.341 9.733 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.261 8.856 -10.706 1.00 0.00 H new ATOM 310 N PHE A 19 14.567 5.080 -9.802 1.00 0.00 N ATOM 311 CA PHE A 19 13.898 4.459 -10.966 1.00 0.00 C ATOM 312 C PHE A 19 12.389 4.258 -10.693 1.00 0.00 C ATOM 313 O PHE A 19 11.529 4.602 -11.530 1.00 0.00 O ATOM 314 CB PHE A 19 14.599 3.110 -11.290 1.00 0.00 C ATOM 315 CG PHE A 19 14.122 2.433 -12.573 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.574 2.877 -13.817 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.238 1.352 -12.543 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.157 2.264 -14.982 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.822 0.743 -13.714 1.00 0.00 C ATOM 320 CZ PHE A 19 13.282 1.199 -14.930 1.00 0.00 C ATOM 0 H PHE A 19 15.186 4.442 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 19 13.981 5.120 -11.829 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.673 3.283 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.444 2.426 -10.456 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.259 3.711 -13.869 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.874 0.987 -11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.517 2.619 -15.936 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.136 -0.090 -13.675 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.957 0.722 -15.843 1.00 0.00 H new ATOM 330 N LEU A 20 12.090 3.722 -9.493 1.00 0.00 N ATOM 331 CA LEU A 20 10.715 3.474 -9.031 1.00 0.00 C ATOM 332 C LEU A 20 9.923 4.797 -9.002 1.00 0.00 C ATOM 333 O LEU A 20 8.893 4.916 -9.661 1.00 0.00 O ATOM 334 CB LEU A 20 10.725 2.779 -7.632 1.00 0.00 C ATOM 335 CG LEU A 20 11.297 1.316 -7.606 1.00 0.00 C ATOM 336 CD1 LEU A 20 11.502 0.815 -6.154 1.00 0.00 C ATOM 337 CD2 LEU A 20 10.395 0.348 -8.409 1.00 0.00 C ATOM 0 H LEU A 20 12.802 3.448 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 20 10.219 2.799 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.310 3.391 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.705 2.758 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 20 12.274 1.337 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.899 -0.200 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.205 1.470 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.547 0.822 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.816 -0.657 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.395 0.338 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.337 0.680 -9.446 1.00 0.00 H new ATOM 349 N ASP A 21 10.462 5.818 -8.315 1.00 0.00 N ATOM 350 CA ASP A 21 9.795 7.135 -8.186 1.00 0.00 C ATOM 351 C ASP A 21 9.748 7.894 -9.532 1.00 0.00 C ATOM 352 O ASP A 21 8.861 8.725 -9.738 1.00 0.00 O ATOM 353 CB ASP A 21 10.481 8.002 -7.102 1.00 0.00 C ATOM 354 CG ASP A 21 9.695 9.292 -6.787 1.00 0.00 C ATOM 355 OD1 ASP A 21 8.672 9.204 -6.080 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.090 10.394 -7.239 1.00 0.00 O ATOM 0 H ASP A 21 11.361 5.761 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 21 8.767 6.942 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.591 7.416 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.485 8.265 -7.435 1.00 0.00 H new ATOM 361 N GLU A 22 10.699 7.594 -10.448 1.00 0.00 N ATOM 362 CA GLU A 22 10.677 8.123 -11.836 1.00 0.00 C ATOM 363 C GLU A 22 9.375 7.700 -12.549 1.00 0.00 C ATOM 364 O GLU A 22 8.715 8.515 -13.204 1.00 0.00 O ATOM 365 CB GLU A 22 11.917 7.635 -12.639 1.00 0.00 C ATOM 366 CG GLU A 22 11.894 7.960 -14.148 1.00 0.00 C ATOM 367 CD GLU A 22 13.172 7.524 -14.885 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.325 6.315 -15.174 1.00 0.00 O ATOM 369 OE2 GLU A 22 14.031 8.384 -15.179 1.00 0.00 O ATOM 0 H GLU A 22 11.494 6.986 -10.251 1.00 0.00 H new ATOM 0 HA GLU A 22 10.714 9.211 -11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.811 8.080 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.006 6.555 -12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.034 7.470 -14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.756 9.033 -14.279 1.00 0.00 H new ATOM 376 N TYR A 23 9.017 6.415 -12.403 1.00 0.00 N ATOM 377 CA TYR A 23 7.753 5.872 -12.952 1.00 0.00 C ATOM 378 C TYR A 23 6.540 6.135 -12.027 1.00 0.00 C ATOM 379 O TYR A 23 5.407 5.784 -12.380 1.00 0.00 O ATOM 380 CB TYR A 23 7.912 4.366 -13.248 1.00 0.00 C ATOM 381 CG TYR A 23 8.753 4.063 -14.498 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.146 4.149 -14.477 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.144 3.688 -15.702 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.894 3.868 -15.601 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.892 3.405 -16.826 1.00 0.00 C ATOM 386 CZ TYR A 23 10.268 3.496 -16.771 1.00 0.00 C ATOM 387 OH TYR A 23 11.018 3.202 -17.891 1.00 0.00 O ATOM 0 H TYR A 23 9.584 5.726 -11.908 1.00 0.00 H new ATOM 0 HA TYR A 23 7.546 6.399 -13.883 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.373 3.883 -12.386 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.924 3.923 -13.371 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.646 4.440 -13.565 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.067 3.619 -15.752 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.971 3.940 -15.564 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.403 3.114 -17.744 1.00 0.00 H new ATOM 0 HH TYR A 23 10.422 2.957 -18.629 1.00 0.00 H new ATOM 397 N GLY A 24 6.787 6.759 -10.855 1.00 0.00 N ATOM 398 CA GLY A 24 5.725 7.075 -9.880 1.00 0.00 C ATOM 399 C GLY A 24 5.233 5.847 -9.113 1.00 0.00 C ATOM 400 O GLY A 24 4.128 5.848 -8.555 1.00 0.00 O ATOM 0 H GLY A 24 7.718 7.054 -10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.099 7.814 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.884 7.531 -10.402 1.00 0.00 H new ATOM 404 N VAL A 25 6.072 4.801 -9.103 1.00 0.00 N ATOM 405 CA VAL A 25 5.797 3.518 -8.439 1.00 0.00 C ATOM 406 C VAL A 25 5.802 3.686 -6.923 1.00 0.00 C ATOM 407 O VAL A 25 6.797 4.141 -6.348 1.00 0.00 O ATOM 408 CB VAL A 25 6.857 2.436 -8.845 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.601 1.078 -8.160 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.906 2.282 -10.368 1.00 0.00 C ATOM 0 H VAL A 25 6.980 4.824 -9.566 1.00 0.00 H new ATOM 0 HA VAL A 25 4.811 3.185 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 25 7.829 2.785 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.362 0.363 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.644 1.202 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.616 0.707 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.646 1.528 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.927 1.974 -10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.180 3.235 -10.821 1.00 0.00 H new ATOM 420 N SER A 26 4.689 3.298 -6.292 1.00 0.00 N ATOM 421 CA SER A 26 4.508 3.414 -4.852 1.00 0.00 C ATOM 422 C SER A 26 5.330 2.339 -4.113 1.00 0.00 C ATOM 423 O SER A 26 4.885 1.202 -3.941 1.00 0.00 O ATOM 424 CB SER A 26 3.016 3.333 -4.508 1.00 0.00 C ATOM 425 OG SER A 26 2.277 4.325 -5.210 1.00 0.00 O ATOM 0 H SER A 26 3.887 2.893 -6.774 1.00 0.00 H new ATOM 0 HA SER A 26 4.877 4.384 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.634 2.344 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.879 3.464 -3.435 1.00 0.00 H new ATOM 0 HG SER A 26 1.328 4.253 -4.976 1.00 0.00 H new ATOM 431 N TYR A 27 6.558 2.723 -3.744 1.00 0.00 N ATOM 432 CA TYR A 27 7.494 1.890 -2.974 1.00 0.00 C ATOM 433 C TYR A 27 7.511 2.389 -1.522 1.00 0.00 C ATOM 434 O TYR A 27 7.439 3.599 -1.277 1.00 0.00 O ATOM 435 CB TYR A 27 8.928 1.924 -3.596 1.00 0.00 C ATOM 436 CG TYR A 27 9.648 3.296 -3.526 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.347 4.315 -4.432 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.609 3.571 -2.539 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.965 5.544 -4.359 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.228 4.803 -2.470 1.00 0.00 C ATOM 441 CZ TYR A 27 10.900 5.781 -3.379 1.00 0.00 C ATOM 442 OH TYR A 27 11.515 7.007 -3.311 1.00 0.00 O ATOM 0 H TYR A 27 6.938 3.641 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 27 7.162 0.852 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.544 1.182 -3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.860 1.620 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.615 4.136 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.868 2.806 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.716 6.319 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.966 4.998 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 27 12.148 7.014 -2.563 1.00 0.00 H new ATOM 452 N GLU A 28 7.662 1.464 -0.580 1.00 0.00 N ATOM 453 CA GLU A 28 7.572 1.726 0.858 1.00 0.00 C ATOM 454 C GLU A 28 8.944 1.449 1.482 1.00 0.00 C ATOM 455 O GLU A 28 9.268 0.287 1.738 1.00 0.00 O ATOM 456 CB GLU A 28 6.473 0.833 1.500 1.00 0.00 C ATOM 457 CG GLU A 28 6.266 1.053 3.012 1.00 0.00 C ATOM 458 CD GLU A 28 4.978 0.401 3.542 1.00 0.00 C ATOM 459 OE1 GLU A 28 3.894 0.656 2.957 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.030 -0.364 4.524 1.00 0.00 O ATOM 0 H GLU A 28 7.855 0.486 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 28 7.294 2.765 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.529 1.017 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.729 -0.213 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.121 0.648 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.236 2.123 3.217 1.00 0.00 H new ATOM 467 N PRO A 29 9.798 2.503 1.669 1.00 0.00 N ATOM 468 CA PRO A 29 11.144 2.338 2.251 1.00 0.00 C ATOM 469 C PRO A 29 11.064 1.992 3.757 1.00 0.00 C ATOM 470 O PRO A 29 10.741 2.843 4.595 1.00 0.00 O ATOM 471 CB PRO A 29 11.818 3.715 1.981 1.00 0.00 C ATOM 472 CG PRO A 29 10.679 4.684 1.936 1.00 0.00 C ATOM 473 CD PRO A 29 9.521 3.927 1.322 1.00 0.00 C ATOM 0 HA PRO A 29 11.710 1.513 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.527 3.971 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.372 3.709 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.428 5.040 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.934 5.560 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.566 4.259 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.475 4.074 0.243 1.00 0.00 H new ATOM 481 N ILE A 30 11.332 0.720 4.079 1.00 0.00 N ATOM 482 CA ILE A 30 11.315 0.179 5.456 1.00 0.00 C ATOM 483 C ILE A 30 12.556 -0.711 5.647 1.00 0.00 C ATOM 484 O ILE A 30 12.914 -1.486 4.766 1.00 0.00 O ATOM 485 CB ILE A 30 9.984 -0.628 5.769 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.587 -1.556 4.569 1.00 0.00 C ATOM 487 CG2 ILE A 30 8.820 0.333 6.149 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.351 -2.407 4.802 1.00 0.00 C ATOM 0 H ILE A 30 11.573 0.018 3.379 1.00 0.00 H new ATOM 0 HA ILE A 30 11.339 1.011 6.160 1.00 0.00 H new ATOM 0 HB ILE A 30 10.179 -1.268 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.423 -0.936 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.426 -2.214 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.922 -0.248 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.096 0.906 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.626 1.015 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.156 -3.014 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.514 -3.058 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.495 -1.760 4.994 1.00 0.00 H new ATOM 500 N ASP A 31 13.227 -0.571 6.799 1.00 0.00 N ATOM 501 CA ASP A 31 14.530 -1.221 7.041 1.00 0.00 C ATOM 502 C ASP A 31 14.386 -2.740 7.187 1.00 0.00 C ATOM 503 O ASP A 31 13.522 -3.213 7.920 1.00 0.00 O ATOM 504 CB ASP A 31 15.221 -0.618 8.274 1.00 0.00 C ATOM 505 CG ASP A 31 15.673 0.827 8.042 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.857 1.752 8.214 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.847 1.048 7.680 1.00 0.00 O ATOM 0 H ASP A 31 12.890 -0.012 7.583 1.00 0.00 H new ATOM 0 HA ASP A 31 15.156 -1.033 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.537 -0.650 9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.085 -1.228 8.538 1.00 0.00 H new ATOM 512 N ILE A 32 15.267 -3.480 6.492 1.00 0.00 N ATOM 513 CA ILE A 32 15.236 -4.952 6.412 1.00 0.00 C ATOM 514 C ILE A 32 15.570 -5.611 7.773 1.00 0.00 C ATOM 515 O ILE A 32 15.025 -6.663 8.092 1.00 0.00 O ATOM 516 CB ILE A 32 16.218 -5.477 5.288 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.094 -7.029 5.060 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.679 -5.075 5.588 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.814 -7.482 4.384 1.00 0.00 C ATOM 0 H ILE A 32 16.033 -3.066 5.961 1.00 0.00 H new ATOM 0 HA ILE A 32 14.218 -5.238 6.148 1.00 0.00 H new ATOM 0 HB ILE A 32 15.917 -4.995 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.941 -7.361 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.173 -7.529 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.329 -5.450 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.755 -3.989 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.985 -5.502 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.825 -8.566 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.958 -7.189 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.737 -7.017 3.401 1.00 0.00 H new ATOM 531 N VAL A 33 16.470 -4.987 8.571 1.00 0.00 N ATOM 532 CA VAL A 33 16.901 -5.555 9.883 1.00 0.00 C ATOM 533 C VAL A 33 16.133 -4.923 11.062 1.00 0.00 C ATOM 534 O VAL A 33 15.962 -5.555 12.108 1.00 0.00 O ATOM 535 CB VAL A 33 18.460 -5.425 10.110 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.898 -3.973 10.422 1.00 0.00 C ATOM 537 CG2 VAL A 33 18.980 -6.433 11.180 1.00 0.00 C ATOM 0 H VAL A 33 16.911 -4.098 8.337 1.00 0.00 H new ATOM 0 HA VAL A 33 16.658 -6.617 9.847 1.00 0.00 H new ATOM 0 HB VAL A 33 18.930 -5.691 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.978 -3.942 10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.626 -3.324 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.399 -3.629 11.328 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.056 -6.309 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.481 -6.244 12.130 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.767 -7.451 10.854 1.00 0.00 H new ATOM 547 N GLN A 34 15.671 -3.676 10.881 1.00 0.00 N ATOM 548 CA GLN A 34 14.940 -2.928 11.929 1.00 0.00 C ATOM 549 C GLN A 34 13.442 -3.306 11.908 1.00 0.00 C ATOM 550 O GLN A 34 12.746 -3.229 12.926 1.00 0.00 O ATOM 551 CB GLN A 34 15.128 -1.407 11.702 1.00 0.00 C ATOM 552 CG GLN A 34 14.672 -0.500 12.862 1.00 0.00 C ATOM 553 CD GLN A 34 14.689 0.995 12.513 1.00 0.00 C ATOM 554 OE1 GLN A 34 14.491 1.385 11.360 1.00 0.00 O ATOM 555 NE2 GLN A 34 14.935 1.838 13.502 1.00 0.00 N ATOM 0 H GLN A 34 15.790 -3.156 10.012 1.00 0.00 H new ATOM 0 HA GLN A 34 15.340 -3.190 12.909 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.183 -1.214 11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.580 -1.121 10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.663 -0.784 13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.318 -0.672 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.095 1.485 14.445 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.965 2.841 13.321 1.00 0.00 H new ATOM 564 N HIS A 35 12.964 -3.707 10.719 1.00 0.00 N ATOM 565 CA HIS A 35 11.563 -4.123 10.485 1.00 0.00 C ATOM 566 C HIS A 35 11.552 -5.492 9.785 1.00 0.00 C ATOM 567 O HIS A 35 10.813 -5.696 8.815 1.00 0.00 O ATOM 568 CB HIS A 35 10.812 -3.046 9.630 1.00 0.00 C ATOM 569 CG HIS A 35 10.699 -1.696 10.285 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.585 -1.288 10.980 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.569 -0.661 10.339 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.770 -0.062 11.430 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.967 0.342 11.058 1.00 0.00 N ATOM 0 H HIS A 35 13.543 -3.754 9.880 1.00 0.00 H new ATOM 0 HA HIS A 35 11.042 -4.211 11.439 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.329 -2.931 8.678 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.810 -3.412 9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.554 -0.630 9.898 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.060 0.513 12.006 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.379 1.251 11.269 1.00 0.00 H new ATOM 582 N THR A 36 12.369 -6.438 10.301 1.00 0.00 N ATOM 583 CA THR A 36 12.507 -7.787 9.714 1.00 0.00 C ATOM 584 C THR A 36 11.161 -8.544 9.740 1.00 0.00 C ATOM 585 O THR A 36 10.501 -8.570 10.791 1.00 0.00 O ATOM 586 CB THR A 36 13.592 -8.648 10.464 1.00 0.00 C ATOM 587 OG1 THR A 36 14.743 -7.843 10.736 1.00 0.00 O ATOM 588 CG2 THR A 36 14.034 -9.876 9.633 1.00 0.00 C ATOM 0 H THR A 36 12.946 -6.288 11.129 1.00 0.00 H new ATOM 0 HA THR A 36 12.827 -7.643 8.682 1.00 0.00 H new ATOM 0 HB THR A 36 13.140 -9.003 11.390 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.415 -8.381 11.204 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.783 -10.441 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.171 -10.512 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.460 -9.541 8.687 1.00 0.00 H new ATOM 596 N PRO A 37 10.706 -9.123 8.579 1.00 0.00 N ATOM 597 CA PRO A 37 9.549 -10.038 8.561 1.00 0.00 C ATOM 598 C PRO A 37 9.828 -11.282 9.431 1.00 0.00 C ATOM 599 O PRO A 37 10.974 -11.740 9.519 1.00 0.00 O ATOM 600 CB PRO A 37 9.379 -10.409 7.055 1.00 0.00 C ATOM 601 CG PRO A 37 10.127 -9.345 6.307 1.00 0.00 C ATOM 602 CD PRO A 37 11.267 -8.930 7.212 1.00 0.00 C ATOM 0 HA PRO A 37 8.644 -9.590 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.784 -11.399 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.327 -10.427 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.501 -9.725 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.480 -8.498 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.153 -9.544 7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.561 -7.895 7.040 1.00 0.00 H new ATOM 610 N THR A 38 8.793 -11.788 10.114 1.00 0.00 N ATOM 611 CA THR A 38 8.889 -13.047 10.874 1.00 0.00 C ATOM 612 C THR A 38 8.753 -14.246 9.924 1.00 0.00 C ATOM 613 O THR A 38 8.491 -14.074 8.726 1.00 0.00 O ATOM 614 CB THR A 38 7.810 -13.122 12.008 1.00 0.00 C ATOM 615 OG1 THR A 38 6.490 -12.961 11.464 1.00 0.00 O ATOM 616 CG2 THR A 38 8.061 -12.055 13.087 1.00 0.00 C ATOM 0 H THR A 38 7.875 -11.345 10.157 1.00 0.00 H new ATOM 0 HA THR A 38 9.868 -13.077 11.352 1.00 0.00 H new ATOM 0 HB THR A 38 7.887 -14.106 12.470 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.830 -13.012 12.187 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.296 -12.132 13.860 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.044 -12.212 13.532 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.021 -11.064 12.635 1.00 0.00 H new ATOM 624 N ILE A 39 8.945 -15.451 10.480 1.00 0.00 N ATOM 625 CA ILE A 39 8.860 -16.736 9.743 1.00 0.00 C ATOM 626 C ILE A 39 7.509 -16.859 9.007 1.00 0.00 C ATOM 627 O ILE A 39 7.454 -17.310 7.857 1.00 0.00 O ATOM 628 CB ILE A 39 9.056 -17.929 10.754 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.412 -17.771 11.517 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.972 -19.313 10.058 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.579 -18.669 12.724 1.00 0.00 C ATOM 0 H ILE A 39 9.167 -15.570 11.468 1.00 0.00 H new ATOM 0 HA ILE A 39 9.649 -16.769 8.991 1.00 0.00 H new ATOM 0 HB ILE A 39 8.236 -17.888 11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.227 -17.968 10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.511 -16.734 11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.113 -20.101 10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.994 -19.426 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.749 -19.385 9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.550 -18.484 13.183 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.790 -18.459 13.446 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.517 -19.712 12.413 1.00 0.00 H new ATOM 643 N ASN A 40 6.445 -16.394 9.689 1.00 0.00 N ATOM 644 CA ASN A 40 5.070 -16.344 9.152 1.00 0.00 C ATOM 645 C ASN A 40 4.977 -15.402 7.941 1.00 0.00 C ATOM 646 O ASN A 40 4.430 -15.773 6.902 1.00 0.00 O ATOM 647 CB ASN A 40 4.077 -15.878 10.248 1.00 0.00 C ATOM 648 CG ASN A 40 3.987 -16.854 11.417 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.755 -16.762 12.375 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.052 -17.796 11.349 1.00 0.00 N ATOM 0 H ASN A 40 6.517 -16.037 10.642 1.00 0.00 H new ATOM 0 HA ASN A 40 4.807 -17.351 8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.385 -14.901 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.088 -15.754 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.954 -18.473 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.433 -17.842 10.540 1.00 0.00 H new ATOM 657 N GLU A 41 5.546 -14.196 8.087 1.00 0.00 N ATOM 658 CA GLU A 41 5.469 -13.141 7.060 1.00 0.00 C ATOM 659 C GLU A 41 6.214 -13.556 5.780 1.00 0.00 C ATOM 660 O GLU A 41 5.732 -13.321 4.664 1.00 0.00 O ATOM 661 CB GLU A 41 6.051 -11.823 7.610 1.00 0.00 C ATOM 662 CG GLU A 41 5.395 -11.318 8.907 1.00 0.00 C ATOM 663 CD GLU A 41 3.876 -11.137 8.799 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.435 -10.197 8.104 1.00 0.00 O ATOM 665 OE2 GLU A 41 3.119 -11.946 9.382 1.00 0.00 O ATOM 0 H GLU A 41 6.072 -13.923 8.917 1.00 0.00 H new ATOM 0 HA GLU A 41 4.420 -12.991 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.117 -11.960 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.952 -11.052 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.612 -12.021 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.847 -10.366 9.185 1.00 0.00 H new ATOM 672 N PHE A 42 7.385 -14.190 5.969 1.00 0.00 N ATOM 673 CA PHE A 42 8.192 -14.731 4.872 1.00 0.00 C ATOM 674 C PHE A 42 7.419 -15.832 4.123 1.00 0.00 C ATOM 675 O PHE A 42 7.166 -15.693 2.931 1.00 0.00 O ATOM 676 CB PHE A 42 9.561 -15.261 5.375 1.00 0.00 C ATOM 677 CG PHE A 42 10.641 -14.195 5.557 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.126 -13.490 4.451 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.181 -13.908 6.806 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.112 -12.533 4.595 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.166 -12.950 6.944 1.00 0.00 C ATOM 682 CZ PHE A 42 12.630 -12.264 5.840 1.00 0.00 C ATOM 0 H PHE A 42 7.795 -14.340 6.891 1.00 0.00 H new ATOM 0 HA PHE A 42 8.394 -13.916 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.409 -15.769 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.925 -16.008 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.724 -13.697 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.827 -14.440 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.475 -11.997 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.575 -12.737 7.920 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.400 -11.516 5.954 1.00 0.00 H new ATOM 692 N LYS A 43 6.993 -16.900 4.831 1.00 0.00 N ATOM 693 CA LYS A 43 6.310 -18.052 4.180 1.00 0.00 C ATOM 694 C LYS A 43 5.014 -17.617 3.466 1.00 0.00 C ATOM 695 O LYS A 43 4.616 -18.239 2.483 1.00 0.00 O ATOM 696 CB LYS A 43 6.023 -19.196 5.185 1.00 0.00 C ATOM 697 CG LYS A 43 5.033 -18.852 6.313 1.00 0.00 C ATOM 698 CD LYS A 43 4.821 -20.005 7.315 1.00 0.00 C ATOM 699 CE LYS A 43 6.110 -20.382 8.056 1.00 0.00 C ATOM 700 NZ LYS A 43 5.903 -21.445 9.058 1.00 0.00 N ATOM 0 H LYS A 43 7.105 -16.994 5.840 1.00 0.00 H new ATOM 0 HA LYS A 43 6.997 -18.436 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.635 -20.052 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.966 -19.507 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.396 -17.976 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.073 -18.581 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.060 -19.717 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.442 -20.878 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.856 -20.711 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.512 -19.497 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.780 -21.993 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.645 -21.017 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.138 -22.075 8.743 1.00 0.00 H new ATOM 714 N THR A 44 4.388 -16.529 3.964 1.00 0.00 N ATOM 715 CA THR A 44 3.232 -15.901 3.310 1.00 0.00 C ATOM 716 C THR A 44 3.632 -15.306 1.944 1.00 0.00 C ATOM 717 O THR A 44 3.126 -15.748 0.919 1.00 0.00 O ATOM 718 CB THR A 44 2.584 -14.803 4.213 1.00 0.00 C ATOM 719 OG1 THR A 44 2.140 -15.407 5.436 1.00 0.00 O ATOM 720 CG2 THR A 44 1.393 -14.096 3.529 1.00 0.00 C ATOM 0 H THR A 44 4.673 -16.067 4.828 1.00 0.00 H new ATOM 0 HA THR A 44 2.488 -16.680 3.148 1.00 0.00 H new ATOM 0 HB THR A 44 3.343 -14.044 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.913 -15.586 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.982 -13.343 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.733 -13.616 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.623 -14.829 3.291 1.00 0.00 H new ATOM 728 N ILE A 45 4.591 -14.346 1.937 1.00 0.00 N ATOM 729 CA ILE A 45 4.992 -13.615 0.702 1.00 0.00 C ATOM 730 C ILE A 45 5.580 -14.575 -0.362 1.00 0.00 C ATOM 731 O ILE A 45 5.480 -14.317 -1.552 1.00 0.00 O ATOM 732 CB ILE A 45 6.006 -12.437 0.997 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.395 -12.975 1.502 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.397 -11.409 1.997 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.421 -11.913 1.868 1.00 0.00 C ATOM 0 H ILE A 45 5.102 -14.058 2.771 1.00 0.00 H new ATOM 0 HA ILE A 45 4.080 -13.171 0.303 1.00 0.00 H new ATOM 0 HB ILE A 45 6.186 -11.919 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.224 -13.605 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.820 -13.613 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.116 -10.611 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.486 -10.986 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.163 -11.910 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.340 -12.395 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.632 -11.295 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.027 -11.287 2.669 1.00 0.00 H new ATOM 747 N ILE A 46 6.154 -15.696 0.102 1.00 0.00 N ATOM 748 CA ILE A 46 6.749 -16.744 -0.753 1.00 0.00 C ATOM 749 C ILE A 46 5.656 -17.661 -1.336 1.00 0.00 C ATOM 750 O ILE A 46 5.734 -18.070 -2.498 1.00 0.00 O ATOM 751 CB ILE A 46 7.813 -17.556 0.082 1.00 0.00 C ATOM 752 CG1 ILE A 46 8.996 -16.614 0.484 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.329 -18.812 -0.666 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.781 -17.060 1.686 1.00 0.00 C ATOM 0 H ILE A 46 6.221 -15.906 1.098 1.00 0.00 H new ATOM 0 HA ILE A 46 7.256 -16.280 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 46 7.319 -17.922 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.676 -16.527 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.598 -15.618 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.058 -19.332 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.493 -19.478 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.799 -18.510 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.578 -16.344 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.120 -17.118 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.215 -18.041 1.494 1.00 0.00 H new ATOM 766 N ALA A 47 4.625 -17.959 -0.526 1.00 0.00 N ATOM 767 CA ALA A 47 3.453 -18.745 -0.976 1.00 0.00 C ATOM 768 C ALA A 47 2.555 -17.914 -1.911 1.00 0.00 C ATOM 769 O ALA A 47 1.852 -18.465 -2.762 1.00 0.00 O ATOM 770 CB ALA A 47 2.640 -19.247 0.229 1.00 0.00 C ATOM 0 H ALA A 47 4.576 -17.667 0.450 1.00 0.00 H new ATOM 0 HA ALA A 47 3.824 -19.606 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.784 -19.822 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.269 -19.880 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.290 -18.395 0.812 1.00 0.00 H new ATOM 776 N ASN A 48 2.585 -16.585 -1.729 1.00 0.00 N ATOM 777 CA ASN A 48 1.719 -15.641 -2.456 1.00 0.00 C ATOM 778 C ASN A 48 2.316 -15.302 -3.835 1.00 0.00 C ATOM 779 O ASN A 48 1.643 -15.470 -4.854 1.00 0.00 O ATOM 780 CB ASN A 48 1.493 -14.354 -1.605 1.00 0.00 C ATOM 781 CG ASN A 48 0.512 -14.519 -0.427 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.428 -15.708 0.167 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.160 -13.566 -0.038 1.00 0.00 N flip ATOM 0 H ASN A 48 3.215 -16.131 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 48 0.751 -16.113 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.454 -14.021 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.123 -13.564 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.082 -12.663 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.795 -13.679 0.752 1.00 0.00 H new ATOM 790 N THR A 49 3.581 -14.838 -3.857 1.00 0.00 N ATOM 791 CA THR A 49 4.267 -14.442 -5.110 1.00 0.00 C ATOM 792 C THR A 49 4.798 -15.679 -5.858 1.00 0.00 C ATOM 793 O THR A 49 4.678 -15.782 -7.086 1.00 0.00 O ATOM 794 CB THR A 49 5.457 -13.463 -4.837 1.00 0.00 C ATOM 795 OG1 THR A 49 6.485 -14.125 -4.072 1.00 0.00 O ATOM 796 CG2 THR A 49 5.000 -12.201 -4.086 1.00 0.00 C ATOM 0 H THR A 49 4.153 -14.727 -3.020 1.00 0.00 H new ATOM 0 HA THR A 49 3.527 -13.930 -5.725 1.00 0.00 H new ATOM 0 HB THR A 49 5.853 -13.160 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.188 -14.227 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.856 -11.548 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.254 -11.674 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.565 -12.485 -3.128 1.00 0.00 H new ATOM 804 N GLY A 50 5.385 -16.616 -5.089 1.00 0.00 N ATOM 805 CA GLY A 50 6.019 -17.820 -5.642 1.00 0.00 C ATOM 806 C GLY A 50 7.531 -17.686 -5.764 1.00 0.00 C ATOM 807 O GLY A 50 8.157 -18.406 -6.553 1.00 0.00 O ATOM 0 H GLY A 50 5.431 -16.557 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.784 -18.674 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.597 -18.029 -6.625 1.00 0.00 H new ATOM 811 N VAL A 51 8.122 -16.775 -4.965 1.00 0.00 N ATOM 812 CA VAL A 51 9.570 -16.488 -5.006 1.00 0.00 C ATOM 813 C VAL A 51 10.363 -17.616 -4.324 1.00 0.00 C ATOM 814 O VAL A 51 9.830 -18.312 -3.454 1.00 0.00 O ATOM 815 CB VAL A 51 9.889 -15.097 -4.326 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.524 -15.077 -2.820 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.360 -14.661 -4.554 1.00 0.00 C ATOM 0 H VAL A 51 7.613 -16.220 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 51 9.875 -16.433 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 51 9.250 -14.365 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.763 -14.100 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.458 -15.272 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.094 -15.845 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.534 -13.700 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.031 -15.408 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.550 -14.568 -5.623 1.00 0.00 H new ATOM 827 N GLU A 52 11.613 -17.822 -4.762 1.00 0.00 N ATOM 828 CA GLU A 52 12.535 -18.762 -4.133 1.00 0.00 C ATOM 829 C GLU A 52 12.942 -18.250 -2.747 1.00 0.00 C ATOM 830 O GLU A 52 13.331 -17.085 -2.592 1.00 0.00 O ATOM 831 CB GLU A 52 13.792 -19.001 -5.013 1.00 0.00 C ATOM 832 CG GLU A 52 13.520 -19.708 -6.362 1.00 0.00 C ATOM 833 CD GLU A 52 13.114 -18.755 -7.502 1.00 0.00 C ATOM 834 OE1 GLU A 52 11.926 -18.370 -7.589 1.00 0.00 O ATOM 835 OE2 GLU A 52 13.999 -18.335 -8.279 1.00 0.00 O ATOM 0 H GLU A 52 12.009 -17.336 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 52 12.021 -19.717 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.266 -18.040 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.507 -19.597 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.415 -20.254 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.730 -20.445 -6.221 1.00 0.00 H new ATOM 842 N ILE A 53 12.846 -19.133 -1.756 1.00 0.00 N ATOM 843 CA ILE A 53 13.204 -18.834 -0.364 1.00 0.00 C ATOM 844 C ILE A 53 14.751 -18.750 -0.257 1.00 0.00 C ATOM 845 O ILE A 53 15.299 -17.958 0.517 1.00 0.00 O ATOM 846 CB ILE A 53 12.562 -19.922 0.606 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.379 -19.404 2.069 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.335 -21.255 0.579 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.630 -19.255 2.903 1.00 0.00 C ATOM 0 H ILE A 53 12.514 -20.088 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 53 12.800 -17.871 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 53 11.563 -20.112 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.883 -18.435 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.704 -20.085 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.860 -21.965 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.329 -21.659 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.364 -21.085 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.365 -18.889 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.124 -20.222 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.305 -18.546 2.423 1.00 0.00 H new ATOM 861 N ASN A 54 15.435 -19.554 -1.102 1.00 0.00 N ATOM 862 CA ASN A 54 16.904 -19.614 -1.163 1.00 0.00 C ATOM 863 C ASN A 54 17.513 -18.301 -1.699 1.00 0.00 C ATOM 864 O ASN A 54 18.558 -17.864 -1.203 1.00 0.00 O ATOM 865 CB ASN A 54 17.373 -20.832 -2.016 1.00 0.00 C ATOM 866 CG ASN A 54 16.816 -20.837 -3.447 1.00 0.00 C ATOM 867 OD1 ASN A 54 15.768 -21.419 -3.708 1.00 0.00 O ATOM 868 ND2 ASN A 54 17.501 -20.188 -4.379 1.00 0.00 N ATOM 0 H ASN A 54 14.976 -20.181 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 54 17.266 -19.746 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.462 -20.835 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.071 -21.752 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.159 -20.165 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.370 -19.712 -4.135 1.00 0.00 H new ATOM 875 N LYS A 55 16.846 -17.657 -2.695 1.00 0.00 N ATOM 876 CA LYS A 55 17.367 -16.398 -3.295 1.00 0.00 C ATOM 877 C LYS A 55 17.242 -15.199 -2.318 1.00 0.00 C ATOM 878 O LYS A 55 17.892 -14.165 -2.522 1.00 0.00 O ATOM 879 CB LYS A 55 16.676 -16.041 -4.651 1.00 0.00 C ATOM 880 CG LYS A 55 15.227 -15.469 -4.540 1.00 0.00 C ATOM 881 CD LYS A 55 14.940 -14.331 -5.561 1.00 0.00 C ATOM 882 CE LYS A 55 14.923 -14.786 -7.025 1.00 0.00 C ATOM 883 NZ LYS A 55 13.739 -15.617 -7.334 1.00 0.00 N ATOM 0 H LYS A 55 15.964 -17.981 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 55 18.422 -16.586 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.296 -15.312 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.647 -16.937 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.511 -16.276 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.068 -15.091 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.977 -13.879 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.695 -13.554 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.932 -13.912 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.829 -15.353 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.032 -16.446 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.296 -15.933 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.056 -15.057 -7.883 1.00 0.00 H new ATOM 897 N LEU A 56 16.393 -15.347 -1.270 1.00 0.00 N ATOM 898 CA LEU A 56 16.183 -14.296 -0.248 1.00 0.00 C ATOM 899 C LEU A 56 17.396 -14.172 0.685 1.00 0.00 C ATOM 900 O LEU A 56 17.572 -13.140 1.322 1.00 0.00 O ATOM 901 CB LEU A 56 14.908 -14.569 0.592 1.00 0.00 C ATOM 902 CG LEU A 56 13.557 -14.665 -0.189 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.367 -14.770 0.785 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.367 -13.488 -1.169 1.00 0.00 C ATOM 0 H LEU A 56 15.841 -16.190 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 56 16.055 -13.356 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.053 -15.502 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.815 -13.778 1.336 1.00 0.00 H new ATOM 0 HG LEU A 56 13.594 -15.576 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.438 -14.836 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.480 -15.661 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.341 -13.887 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.415 -13.597 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.372 -12.549 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.179 -13.485 -1.896 1.00 0.00 H new ATOM 916 N PHE A 57 18.209 -15.240 0.773 1.00 0.00 N ATOM 917 CA PHE A 57 19.473 -15.222 1.532 1.00 0.00 C ATOM 918 C PHE A 57 20.500 -14.287 0.883 1.00 0.00 C ATOM 919 O PHE A 57 20.511 -14.130 -0.342 1.00 0.00 O ATOM 920 CB PHE A 57 20.085 -16.642 1.626 1.00 0.00 C ATOM 921 CG PHE A 57 19.416 -17.541 2.656 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.280 -18.282 2.337 1.00 0.00 C ATOM 923 CD2 PHE A 57 19.921 -17.629 3.957 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.680 -19.087 3.279 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.317 -18.433 4.896 1.00 0.00 C ATOM 926 CZ PHE A 57 18.196 -19.160 4.558 1.00 0.00 C ATOM 0 H PHE A 57 18.011 -16.134 0.324 1.00 0.00 H new ATOM 0 HA PHE A 57 19.236 -14.859 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.021 -17.119 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.144 -16.554 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.866 -18.224 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.797 -17.058 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.804 -19.662 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.721 -18.494 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.720 -19.789 5.296 1.00 0.00 H new ATOM 936 N ASN A 58 21.353 -13.686 1.734 1.00 0.00 N ATOM 937 CA ASN A 58 22.565 -12.959 1.319 1.00 0.00 C ATOM 938 C ASN A 58 23.551 -13.946 0.637 1.00 0.00 C ATOM 939 O ASN A 58 24.549 -14.367 1.217 1.00 0.00 O ATOM 940 CB ASN A 58 23.210 -12.223 2.549 1.00 0.00 C ATOM 941 CG ASN A 58 23.730 -13.137 3.692 1.00 0.00 C ATOM 942 OD1 ASN A 58 24.734 -12.826 4.335 1.00 0.00 O ATOM 943 ND2 ASN A 58 23.057 -14.253 3.975 1.00 0.00 N ATOM 0 H ASN A 58 21.216 -13.693 2.745 1.00 0.00 H new ATOM 0 HA ASN A 58 22.306 -12.190 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.041 -11.616 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 58 22.472 -11.538 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.372 -14.861 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 58 22.227 -14.499 3.435 1.00 0.00 H new ATOM 950 N THR A 59 23.209 -14.337 -0.597 1.00 0.00 N ATOM 951 CA THR A 59 23.900 -15.403 -1.341 1.00 0.00 C ATOM 952 C THR A 59 25.380 -15.037 -1.599 1.00 0.00 C ATOM 953 O THR A 59 25.683 -14.077 -2.309 1.00 0.00 O ATOM 954 CB THR A 59 23.144 -15.746 -2.672 1.00 0.00 C ATOM 955 OG1 THR A 59 23.913 -16.667 -3.458 1.00 0.00 O ATOM 956 CG2 THR A 59 22.809 -14.492 -3.505 1.00 0.00 C ATOM 0 H THR A 59 22.436 -13.919 -1.115 1.00 0.00 H new ATOM 0 HA THR A 59 23.893 -16.301 -0.724 1.00 0.00 H new ATOM 0 HB THR A 59 22.198 -16.207 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 59 24.799 -16.286 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 59 22.287 -14.788 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.173 -13.827 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 59 23.731 -13.973 -3.769 1.00 0.00 H new ATOM 964 N HIS A 60 26.282 -15.783 -0.923 1.00 0.00 N ATOM 965 CA HIS A 60 27.757 -15.605 -0.986 1.00 0.00 C ATOM 966 C HIS A 60 28.223 -14.280 -0.333 1.00 0.00 C ATOM 967 O HIS A 60 29.418 -13.963 -0.360 1.00 0.00 O ATOM 968 CB HIS A 60 28.289 -15.730 -2.444 1.00 0.00 C ATOM 969 CG HIS A 60 27.878 -17.003 -3.146 1.00 0.00 C ATOM 970 ND1 HIS A 60 26.768 -17.078 -3.957 1.00 0.00 N ATOM 971 CD2 HIS A 60 28.416 -18.240 -3.139 1.00 0.00 C ATOM 972 CE1 HIS A 60 26.654 -18.299 -4.433 1.00 0.00 C ATOM 973 NE2 HIS A 60 27.642 -19.027 -3.954 1.00 0.00 N ATOM 0 H HIS A 60 26.002 -16.544 -0.304 1.00 0.00 H new ATOM 0 HA HIS A 60 28.190 -16.417 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 60 27.933 -14.878 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 60 29.377 -15.672 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 60 29.294 -18.553 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 60 25.881 -18.646 -5.103 1.00 0.00 H new ATOM 0 HE2 HIS A 60 27.805 -20.013 -4.156 1.00 0.00 H new ATOM 982 N GLY A 61 27.282 -13.546 0.294 1.00 0.00 N ATOM 983 CA GLY A 61 27.546 -12.224 0.874 1.00 0.00 C ATOM 984 C GLY A 61 28.078 -12.315 2.301 1.00 0.00 C ATOM 985 O GLY A 61 27.363 -11.980 3.250 1.00 0.00 O ATOM 0 H GLY A 61 26.318 -13.858 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 61 28.268 -11.694 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 61 26.628 -11.637 0.867 1.00 0.00 H new ATOM 989 N ALA A 62 29.333 -12.803 2.414 1.00 0.00 N ATOM 990 CA ALA A 62 30.086 -12.960 3.678 1.00 0.00 C ATOM 991 C ALA A 62 29.461 -14.020 4.611 1.00 0.00 C ATOM 992 O ALA A 62 29.987 -15.110 4.726 1.00 0.00 O ATOM 993 CB ALA A 62 30.294 -11.619 4.406 1.00 0.00 C ATOM 0 H ALA A 62 29.867 -13.109 1.601 1.00 0.00 H new ATOM 0 HA ALA A 62 31.072 -13.328 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 62 30.851 -11.788 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 62 30.853 -10.939 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 62 29.325 -11.180 4.643 1.00 0.00 H new ATOM 999 N LYS A 63 28.317 -13.707 5.241 1.00 0.00 N ATOM 1000 CA LYS A 63 27.722 -14.546 6.312 1.00 0.00 C ATOM 1001 C LYS A 63 27.240 -15.915 5.801 1.00 0.00 C ATOM 1002 O LYS A 63 27.191 -16.878 6.556 1.00 0.00 O ATOM 1003 CB LYS A 63 26.577 -13.801 7.007 1.00 0.00 C ATOM 1004 CG LYS A 63 26.974 -12.404 7.527 1.00 0.00 C ATOM 1005 CD LYS A 63 25.812 -11.679 8.223 1.00 0.00 C ATOM 1006 CE LYS A 63 24.604 -11.485 7.305 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.934 -10.679 6.099 1.00 0.00 N ATOM 0 H LYS A 63 27.775 -12.870 5.028 1.00 0.00 H new ATOM 0 HA LYS A 63 28.515 -14.740 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.746 -13.697 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.218 -14.402 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.805 -12.503 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.328 -11.798 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.508 -12.248 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.155 -10.706 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.226 -12.459 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.804 -10.994 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.189 -9.971 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.845 -10.198 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.999 -11.304 5.271 1.00 0.00 H new ATOM 1021 N TYR A 64 26.913 -15.994 4.511 1.00 0.00 N ATOM 1022 CA TYR A 64 26.448 -17.242 3.872 1.00 0.00 C ATOM 1023 C TYR A 64 27.541 -18.343 3.927 1.00 0.00 C ATOM 1024 O TYR A 64 27.232 -19.538 3.992 1.00 0.00 O ATOM 1025 CB TYR A 64 26.024 -16.959 2.410 1.00 0.00 C ATOM 1026 CG TYR A 64 25.145 -18.053 1.782 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.763 -18.031 1.949 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.691 -19.099 1.029 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.965 -19.006 1.397 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.890 -20.075 0.477 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.531 -20.022 0.659 1.00 0.00 C ATOM 1032 OH TYR A 64 22.729 -20.992 0.101 1.00 0.00 O ATOM 0 H TYR A 64 26.960 -15.199 3.873 1.00 0.00 H new ATOM 0 HA TYR A 64 25.584 -17.611 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.484 -16.013 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.920 -16.836 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.310 -17.235 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.760 -19.142 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.895 -18.975 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.330 -20.878 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 64 22.953 -21.096 -0.847 1.00 0.00 H new ATOM 1042 N ARG A 65 28.820 -17.907 3.927 1.00 0.00 N ATOM 1043 CA ARG A 65 29.997 -18.809 3.977 1.00 0.00 C ATOM 1044 C ARG A 65 30.612 -18.780 5.391 1.00 0.00 C ATOM 1045 O ARG A 65 31.209 -19.763 5.825 1.00 0.00 O ATOM 1046 CB ARG A 65 31.074 -18.401 2.921 1.00 0.00 C ATOM 1047 CG ARG A 65 31.770 -17.053 3.207 1.00 0.00 C ATOM 1048 CD ARG A 65 32.920 -16.715 2.258 1.00 0.00 C ATOM 1049 NE ARG A 65 33.700 -15.578 2.788 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.961 -15.285 2.478 1.00 0.00 C ATOM 1051 NH1 ARG A 65 35.585 -15.904 1.482 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.586 -14.337 3.157 1.00 0.00 N ATOM 0 H ARG A 65 29.068 -16.918 3.892 1.00 0.00 H new ATOM 0 HA ARG A 65 29.662 -19.819 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.831 -19.183 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.602 -18.351 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.027 -16.257 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 65 32.151 -17.066 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.567 -17.584 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.527 -16.468 1.272 1.00 0.00 H new ATOM 0 HE ARG A 65 33.230 -14.962 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 65 35.098 -16.617 0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 65 36.551 -15.666 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 65 35.102 -13.842 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 65 36.552 -14.101 2.932 1.00 0.00 H new ATOM 1066 N GLU A 66 30.447 -17.632 6.085 1.00 0.00 N ATOM 1067 CA GLU A 66 30.971 -17.386 7.443 1.00 0.00 C ATOM 1068 C GLU A 66 30.341 -18.373 8.427 1.00 0.00 C ATOM 1069 O GLU A 66 31.034 -19.150 9.092 1.00 0.00 O ATOM 1070 CB GLU A 66 30.641 -15.926 7.872 1.00 0.00 C ATOM 1071 CG GLU A 66 31.169 -15.494 9.252 1.00 0.00 C ATOM 1072 CD GLU A 66 32.697 -15.478 9.339 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.324 -14.653 8.642 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.283 -16.295 10.086 1.00 0.00 O ATOM 0 H GLU A 66 29.935 -16.835 5.707 1.00 0.00 H new ATOM 0 HA GLU A 66 32.052 -17.525 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.046 -15.247 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 29.558 -15.802 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 66 30.789 -14.499 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 30.776 -16.170 10.011 1.00 0.00 H new ATOM 1081 N LEU A 67 29.001 -18.347 8.451 1.00 0.00 N ATOM 1082 CA LEU A 67 28.173 -19.255 9.260 1.00 0.00 C ATOM 1083 C LEU A 67 28.185 -20.665 8.652 1.00 0.00 C ATOM 1084 O LEU A 67 27.773 -21.630 9.308 1.00 0.00 O ATOM 1085 CB LEU A 67 26.712 -18.724 9.326 1.00 0.00 C ATOM 1086 CG LEU A 67 26.543 -17.192 9.582 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.054 -16.780 9.611 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.284 -16.748 10.857 1.00 0.00 C ATOM 0 H LEU A 67 28.453 -17.685 7.901 1.00 0.00 H new ATOM 0 HA LEU A 67 28.584 -19.300 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.216 -18.971 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.188 -19.263 10.115 1.00 0.00 H new ATOM 0 HG LEU A 67 27.003 -16.669 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.977 -15.708 9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.591 -17.021 8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.543 -17.320 10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.145 -15.677 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 26.885 -17.287 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.347 -16.965 10.754 1.00 0.00 H new ATOM 1100 N ASP A 68 28.637 -20.746 7.372 1.00 0.00 N ATOM 1101 CA ASP A 68 28.728 -21.998 6.605 1.00 0.00 C ATOM 1102 C ASP A 68 27.300 -22.542 6.406 1.00 0.00 C ATOM 1103 O ASP A 68 27.001 -23.720 6.636 1.00 0.00 O ATOM 1104 CB ASP A 68 29.718 -22.989 7.324 1.00 0.00 C ATOM 1105 CG ASP A 68 30.108 -24.246 6.521 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.549 -24.112 5.358 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.026 -25.366 7.063 1.00 0.00 O ATOM 0 H ASP A 68 28.950 -19.930 6.847 1.00 0.00 H new ATOM 0 HA ASP A 68 29.149 -21.844 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.628 -22.445 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.266 -23.307 8.264 1.00 0.00 H new ATOM 1112 N LEU A 69 26.416 -21.608 5.969 1.00 0.00 N ATOM 1113 CA LEU A 69 24.980 -21.865 5.799 1.00 0.00 C ATOM 1114 C LEU A 69 24.707 -22.930 4.734 1.00 0.00 C ATOM 1115 O LEU A 69 23.824 -23.734 4.924 1.00 0.00 O ATOM 1116 CB LEU A 69 24.192 -20.573 5.441 1.00 0.00 C ATOM 1117 CG LEU A 69 24.118 -19.473 6.541 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.333 -18.241 6.034 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.507 -20.028 7.854 1.00 0.00 C ATOM 0 H LEU A 69 26.690 -20.656 5.727 1.00 0.00 H new ATOM 0 HA LEU A 69 24.632 -22.234 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.643 -20.135 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.174 -20.858 5.175 1.00 0.00 H new ATOM 0 HG LEU A 69 25.136 -19.154 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.294 -17.486 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.831 -17.828 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.319 -18.540 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.469 -19.235 8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.498 -20.392 7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.124 -20.847 8.224 1.00 0.00 H new ATOM 1131 N LYS A 70 25.473 -22.935 3.633 1.00 0.00 N ATOM 1132 CA LYS A 70 25.236 -23.854 2.484 1.00 0.00 C ATOM 1133 C LYS A 70 25.246 -25.341 2.941 1.00 0.00 C ATOM 1134 O LYS A 70 24.420 -26.164 2.490 1.00 0.00 O ATOM 1135 CB LYS A 70 26.306 -23.598 1.388 1.00 0.00 C ATOM 1136 CG LYS A 70 26.014 -24.232 0.004 1.00 0.00 C ATOM 1137 CD LYS A 70 24.613 -23.851 -0.550 1.00 0.00 C ATOM 1138 CE LYS A 70 24.412 -24.254 -2.023 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.595 -25.708 -2.255 1.00 0.00 N ATOM 0 H LYS A 70 26.270 -22.312 3.504 1.00 0.00 H new ATOM 0 HA LYS A 70 24.248 -23.652 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.416 -22.521 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.264 -23.976 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.779 -23.914 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.085 -25.317 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.846 -24.330 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.471 -22.775 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.410 -23.964 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.116 -23.701 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.448 -25.920 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.559 -25.985 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.907 -26.240 -1.685 1.00 0.00 H new ATOM 1153 N ASN A 71 26.155 -25.620 3.906 1.00 0.00 N ATOM 1154 CA ASN A 71 26.314 -26.930 4.575 1.00 0.00 C ATOM 1155 C ASN A 71 24.986 -27.399 5.187 1.00 0.00 C ATOM 1156 O ASN A 71 24.583 -28.550 5.001 1.00 0.00 O ATOM 1157 CB ASN A 71 27.401 -26.805 5.683 1.00 0.00 C ATOM 1158 CG ASN A 71 27.823 -28.123 6.380 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.047 -29.055 6.553 1.00 0.00 O ATOM 1160 ND2 ASN A 71 29.074 -28.199 6.806 1.00 0.00 N ATOM 0 H ASN A 71 26.814 -24.921 4.248 1.00 0.00 H new ATOM 0 HA ASN A 71 26.622 -27.671 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.289 -26.351 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.036 -26.116 6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.400 -29.039 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.712 -27.417 6.657 1.00 0.00 H new ATOM 1167 N LYS A 72 24.311 -26.498 5.918 1.00 0.00 N ATOM 1168 CA LYS A 72 23.043 -26.830 6.586 1.00 0.00 C ATOM 1169 C LYS A 72 21.853 -26.691 5.610 1.00 0.00 C ATOM 1170 O LYS A 72 20.952 -27.505 5.660 1.00 0.00 O ATOM 1171 CB LYS A 72 22.856 -25.978 7.884 1.00 0.00 C ATOM 1172 CG LYS A 72 22.733 -24.455 7.687 1.00 0.00 C ATOM 1173 CD LYS A 72 22.783 -23.663 9.021 1.00 0.00 C ATOM 1174 CE LYS A 72 21.480 -23.731 9.833 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.620 -23.137 11.183 1.00 0.00 N ATOM 0 H LYS A 72 24.621 -25.537 6.061 1.00 0.00 H new ATOM 0 HA LYS A 72 23.077 -27.874 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.962 -26.330 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.701 -26.171 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.538 -24.112 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.796 -24.235 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.600 -24.048 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.011 -22.619 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.691 -23.211 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.169 -24.771 9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.705 -23.177 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.330 -23.670 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.923 -22.146 11.096 1.00 0.00 H new ATOM 1189 N LEU A 73 21.896 -25.720 4.666 1.00 0.00 N ATOM 1190 CA LEU A 73 20.735 -25.369 3.798 1.00 0.00 C ATOM 1191 C LEU A 73 20.404 -26.483 2.791 1.00 0.00 C ATOM 1192 O LEU A 73 19.246 -26.612 2.364 1.00 0.00 O ATOM 1193 CB LEU A 73 20.942 -24.023 3.042 1.00 0.00 C ATOM 1194 CG LEU A 73 21.028 -22.730 3.920 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.051 -21.456 3.051 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.896 -22.673 4.958 1.00 0.00 C ATOM 0 H LEU A 73 22.728 -25.159 4.482 1.00 0.00 H new ATOM 0 HA LEU A 73 19.890 -25.253 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.859 -24.099 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.122 -23.900 2.335 1.00 0.00 H new ATOM 0 HG LEU A 73 21.971 -22.775 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.111 -20.578 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.918 -21.482 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.141 -21.407 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.989 -21.761 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.933 -22.678 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.962 -23.540 5.616 1.00 0.00 H new ATOM 1208 N GLN A 74 21.430 -27.273 2.424 1.00 0.00 N ATOM 1209 CA GLN A 74 21.263 -28.432 1.526 1.00 0.00 C ATOM 1210 C GLN A 74 20.408 -29.551 2.171 1.00 0.00 C ATOM 1211 O GLN A 74 19.831 -30.379 1.457 1.00 0.00 O ATOM 1212 CB GLN A 74 22.651 -28.989 1.108 1.00 0.00 C ATOM 1213 CG GLN A 74 23.474 -29.604 2.255 1.00 0.00 C ATOM 1214 CD GLN A 74 24.889 -30.016 1.847 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.832 -29.229 1.950 1.00 0.00 O ATOM 1216 NE2 GLN A 74 25.054 -31.242 1.379 1.00 0.00 N ATOM 0 H GLN A 74 22.390 -27.129 2.738 1.00 0.00 H new ATOM 0 HA GLN A 74 20.730 -28.086 0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.506 -29.746 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 74 23.229 -28.183 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.536 -28.885 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 74 22.948 -30.478 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.255 -31.872 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 74 25.980 -31.558 1.092 1.00 0.00 H new ATOM 1225 N THR A 75 20.320 -29.568 3.526 1.00 0.00 N ATOM 1226 CA THR A 75 19.717 -30.695 4.273 1.00 0.00 C ATOM 1227 C THR A 75 18.527 -30.287 5.177 1.00 0.00 C ATOM 1228 O THR A 75 17.627 -31.113 5.399 1.00 0.00 O ATOM 1229 CB THR A 75 20.807 -31.439 5.124 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.229 -32.575 5.789 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.474 -30.525 6.168 1.00 0.00 C ATOM 0 H THR A 75 20.660 -28.812 4.121 1.00 0.00 H new ATOM 0 HA THR A 75 19.311 -31.366 3.516 1.00 0.00 H new ATOM 0 HB THR A 75 21.580 -31.762 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.918 -33.032 6.315 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.218 -31.093 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.959 -29.689 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.718 -30.145 6.855 1.00 0.00 H new ATOM 1239 N LEU A 76 18.506 -29.043 5.719 1.00 0.00 N ATOM 1240 CA LEU A 76 17.440 -28.618 6.663 1.00 0.00 C ATOM 1241 C LEU A 76 16.117 -28.323 5.938 1.00 0.00 C ATOM 1242 O LEU A 76 16.053 -28.309 4.701 1.00 0.00 O ATOM 1243 CB LEU A 76 17.889 -27.413 7.572 1.00 0.00 C ATOM 1244 CG LEU A 76 18.502 -26.120 6.915 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.617 -25.479 5.850 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.878 -25.078 7.986 1.00 0.00 C ATOM 0 H LEU A 76 19.204 -28.326 5.523 1.00 0.00 H new ATOM 0 HA LEU A 76 17.262 -29.462 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 76 17.020 -27.102 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.623 -27.797 8.280 1.00 0.00 H new ATOM 0 HG LEU A 76 19.401 -26.461 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.113 -24.595 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.441 -26.193 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.664 -25.190 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.299 -24.196 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.987 -24.795 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.614 -25.505 8.667 1.00 0.00 H new ATOM 1258 N SER A 77 15.080 -28.040 6.735 1.00 0.00 N ATOM 1259 CA SER A 77 13.734 -27.710 6.245 1.00 0.00 C ATOM 1260 C SER A 77 13.704 -26.275 5.684 1.00 0.00 C ATOM 1261 O SER A 77 14.474 -25.419 6.130 1.00 0.00 O ATOM 1262 CB SER A 77 12.723 -27.847 7.408 1.00 0.00 C ATOM 1263 OG SER A 77 12.862 -29.096 8.055 1.00 0.00 O ATOM 0 H SER A 77 15.152 -28.033 7.752 1.00 0.00 H new ATOM 0 HA SER A 77 13.464 -28.397 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.878 -27.042 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.707 -27.742 7.026 1.00 0.00 H new ATOM 0 HG SER A 77 13.601 -29.052 8.697 1.00 0.00 H new ATOM 1269 N ASP A 78 12.796 -26.003 4.730 1.00 0.00 N ATOM 1270 CA ASP A 78 12.597 -24.637 4.194 1.00 0.00 C ATOM 1271 C ASP A 78 12.071 -23.688 5.285 1.00 0.00 C ATOM 1272 O ASP A 78 12.220 -22.475 5.173 1.00 0.00 O ATOM 1273 CB ASP A 78 11.656 -24.646 2.967 1.00 0.00 C ATOM 1274 CG ASP A 78 12.285 -25.325 1.734 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.270 -26.569 1.652 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.816 -24.617 0.850 1.00 0.00 O ATOM 0 H ASP A 78 12.187 -26.707 4.312 1.00 0.00 H new ATOM 0 HA ASP A 78 13.568 -24.266 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.732 -25.162 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.388 -23.620 2.714 1.00 0.00 H new ATOM 1281 N ASP A 79 11.479 -24.269 6.348 1.00 0.00 N ATOM 1282 CA ASP A 79 11.018 -23.514 7.522 1.00 0.00 C ATOM 1283 C ASP A 79 12.208 -23.024 8.372 1.00 0.00 C ATOM 1284 O ASP A 79 12.155 -21.943 8.949 1.00 0.00 O ATOM 1285 CB ASP A 79 10.049 -24.370 8.370 1.00 0.00 C ATOM 1286 CG ASP A 79 9.315 -23.532 9.436 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.474 -22.693 9.055 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.549 -23.710 10.650 1.00 0.00 O ATOM 0 H ASP A 79 11.309 -25.273 6.413 1.00 0.00 H new ATOM 0 HA ASP A 79 10.480 -22.634 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.318 -24.844 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.605 -25.170 8.858 1.00 0.00 H new ATOM 1293 N GLU A 80 13.279 -23.835 8.419 1.00 0.00 N ATOM 1294 CA GLU A 80 14.541 -23.489 9.117 1.00 0.00 C ATOM 1295 C GLU A 80 15.308 -22.389 8.352 1.00 0.00 C ATOM 1296 O GLU A 80 15.999 -21.553 8.959 1.00 0.00 O ATOM 1297 CB GLU A 80 15.404 -24.761 9.309 1.00 0.00 C ATOM 1298 CG GLU A 80 14.749 -25.830 10.206 1.00 0.00 C ATOM 1299 CD GLU A 80 15.611 -27.086 10.381 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.646 -27.017 11.079 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.269 -28.143 9.814 1.00 0.00 O ATOM 0 H GLU A 80 13.299 -24.753 7.974 1.00 0.00 H new ATOM 0 HA GLU A 80 14.303 -23.089 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.612 -25.198 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.363 -24.476 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.546 -25.398 11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.788 -26.114 9.778 1.00 0.00 H new ATOM 1308 N LYS A 81 15.154 -22.390 7.013 1.00 0.00 N ATOM 1309 CA LYS A 81 15.658 -21.307 6.143 1.00 0.00 C ATOM 1310 C LYS A 81 14.949 -19.976 6.497 1.00 0.00 C ATOM 1311 O LYS A 81 15.595 -18.924 6.656 1.00 0.00 O ATOM 1312 CB LYS A 81 15.411 -21.657 4.652 1.00 0.00 C ATOM 1313 CG LYS A 81 16.087 -22.944 4.158 1.00 0.00 C ATOM 1314 CD LYS A 81 15.736 -23.303 2.695 1.00 0.00 C ATOM 1315 CE LYS A 81 16.280 -24.683 2.273 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.797 -25.088 0.930 1.00 0.00 N ATOM 0 H LYS A 81 14.680 -23.137 6.506 1.00 0.00 H new ATOM 0 HA LYS A 81 16.730 -21.196 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.337 -21.746 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.758 -20.826 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.168 -22.835 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.795 -23.770 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.653 -23.291 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.140 -22.539 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.370 -24.658 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.978 -25.431 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.014 -26.093 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.769 -24.943 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.269 -24.513 0.203 1.00 0.00 H new ATOM 1330 N LEU A 82 13.608 -20.067 6.636 1.00 0.00 N ATOM 1331 CA LEU A 82 12.746 -18.944 7.063 1.00 0.00 C ATOM 1332 C LEU A 82 13.193 -18.397 8.433 1.00 0.00 C ATOM 1333 O LEU A 82 13.227 -17.180 8.626 1.00 0.00 O ATOM 1334 CB LEU A 82 11.265 -19.403 7.146 1.00 0.00 C ATOM 1335 CG LEU A 82 10.597 -19.830 5.801 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.266 -20.566 6.034 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.384 -18.620 4.884 1.00 0.00 C ATOM 0 H LEU A 82 13.091 -20.927 6.454 1.00 0.00 H new ATOM 0 HA LEU A 82 12.838 -18.150 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.205 -20.242 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.679 -18.591 7.577 1.00 0.00 H new ATOM 0 HG LEU A 82 11.280 -20.523 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.832 -20.847 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.445 -21.463 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.576 -19.911 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.917 -18.946 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.737 -17.897 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.346 -18.156 4.664 1.00 0.00 H new ATOM 1349 N GLU A 83 13.540 -19.322 9.363 1.00 0.00 N ATOM 1350 CA GLU A 83 14.042 -18.971 10.711 1.00 0.00 C ATOM 1351 C GLU A 83 15.288 -18.077 10.620 1.00 0.00 C ATOM 1352 O GLU A 83 15.321 -17.009 11.223 1.00 0.00 O ATOM 1353 CB GLU A 83 14.368 -20.232 11.556 1.00 0.00 C ATOM 1354 CG GLU A 83 13.156 -21.120 11.888 1.00 0.00 C ATOM 1355 CD GLU A 83 13.496 -22.247 12.872 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.644 -21.966 14.081 1.00 0.00 O ATOM 1357 OE2 GLU A 83 13.623 -23.414 12.450 1.00 0.00 O ATOM 0 H GLU A 83 13.479 -20.327 9.199 1.00 0.00 H new ATOM 0 HA GLU A 83 13.242 -18.423 11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.103 -20.831 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.835 -19.916 12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.364 -20.502 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.766 -21.553 10.967 1.00 0.00 H new ATOM 1364 N LEU A 84 16.288 -18.525 9.834 1.00 0.00 N ATOM 1365 CA LEU A 84 17.551 -17.779 9.603 1.00 0.00 C ATOM 1366 C LEU A 84 17.289 -16.336 9.111 1.00 0.00 C ATOM 1367 O LEU A 84 17.829 -15.360 9.671 1.00 0.00 O ATOM 1368 CB LEU A 84 18.425 -18.554 8.578 1.00 0.00 C ATOM 1369 CG LEU A 84 19.060 -19.888 9.097 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.514 -20.787 7.934 1.00 0.00 C ATOM 1371 CD2 LEU A 84 20.238 -19.598 10.058 1.00 0.00 C ATOM 0 H LEU A 84 16.247 -19.416 9.339 1.00 0.00 H new ATOM 0 HA LEU A 84 18.080 -17.700 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.813 -18.780 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.228 -17.897 8.243 1.00 0.00 H new ATOM 0 HG LEU A 84 18.290 -20.426 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.950 -21.704 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.656 -21.034 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.258 -20.261 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.664 -20.539 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.003 -19.026 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.878 -19.025 10.912 1.00 0.00 H new ATOM 1383 N LEU A 85 16.424 -16.220 8.085 1.00 0.00 N ATOM 1384 CA LEU A 85 16.032 -14.918 7.502 1.00 0.00 C ATOM 1385 C LEU A 85 15.340 -13.998 8.543 1.00 0.00 C ATOM 1386 O LEU A 85 15.564 -12.787 8.566 1.00 0.00 O ATOM 1387 CB LEU A 85 15.083 -15.133 6.298 1.00 0.00 C ATOM 1388 CG LEU A 85 15.668 -15.890 5.068 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.601 -16.030 3.962 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.950 -15.205 4.534 1.00 0.00 C ATOM 0 H LEU A 85 15.978 -17.021 7.637 1.00 0.00 H new ATOM 0 HA LEU A 85 16.947 -14.427 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.208 -15.680 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.735 -14.157 5.962 1.00 0.00 H new ATOM 0 HG LEU A 85 15.953 -16.890 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.027 -16.561 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.748 -16.588 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.273 -15.040 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.329 -15.761 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.718 -14.184 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.707 -15.187 5.318 1.00 0.00 H new ATOM 1402 N SER A 86 14.496 -14.599 9.393 1.00 0.00 N ATOM 1403 CA SER A 86 13.731 -13.875 10.423 1.00 0.00 C ATOM 1404 C SER A 86 14.624 -13.463 11.605 1.00 0.00 C ATOM 1405 O SER A 86 14.372 -12.444 12.263 1.00 0.00 O ATOM 1406 CB SER A 86 12.578 -14.765 10.905 1.00 0.00 C ATOM 1407 OG SER A 86 11.757 -15.138 9.822 1.00 0.00 O ATOM 0 H SER A 86 14.323 -15.604 9.387 1.00 0.00 H new ATOM 0 HA SER A 86 13.334 -12.959 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.977 -15.656 11.390 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.987 -14.233 11.651 1.00 0.00 H new ATOM 0 HG SER A 86 12.171 -15.884 9.340 1.00 0.00 H new ATOM 1413 N SER A 87 15.678 -14.260 11.845 1.00 0.00 N ATOM 1414 CA SER A 87 16.627 -14.035 12.943 1.00 0.00 C ATOM 1415 C SER A 87 17.526 -12.835 12.633 1.00 0.00 C ATOM 1416 O SER A 87 17.851 -12.047 13.531 1.00 0.00 O ATOM 1417 CB SER A 87 17.480 -15.295 13.179 1.00 0.00 C ATOM 1418 OG SER A 87 16.674 -16.403 13.521 1.00 0.00 O ATOM 0 H SER A 87 15.895 -15.081 11.280 1.00 0.00 H new ATOM 0 HA SER A 87 16.063 -13.821 13.851 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.053 -15.523 12.280 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.199 -15.106 13.976 1.00 0.00 H new ATOM 0 HG SER A 87 16.275 -16.780 12.709 1.00 0.00 H new ATOM 1424 N ASP A 88 17.919 -12.701 11.346 1.00 0.00 N ATOM 1425 CA ASP A 88 18.786 -11.597 10.899 1.00 0.00 C ATOM 1426 C ASP A 88 18.288 -11.011 9.572 1.00 0.00 C ATOM 1427 O ASP A 88 18.202 -11.720 8.569 1.00 0.00 O ATOM 1428 CB ASP A 88 20.248 -12.098 10.761 1.00 0.00 C ATOM 1429 CG ASP A 88 21.276 -10.989 10.460 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.095 -9.833 10.915 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.280 -11.269 9.776 1.00 0.00 O ATOM 0 H ASP A 88 17.648 -13.345 10.603 1.00 0.00 H new ATOM 0 HA ASP A 88 18.753 -10.804 11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.535 -12.602 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.291 -12.842 9.965 1.00 0.00 H new ATOM 1436 N GLY A 89 17.988 -9.697 9.582 1.00 0.00 N ATOM 1437 CA GLY A 89 17.619 -8.965 8.371 1.00 0.00 C ATOM 1438 C GLY A 89 18.795 -8.769 7.419 1.00 0.00 C ATOM 1439 O GLY A 89 18.602 -8.499 6.238 1.00 0.00 O ATOM 0 H GLY A 89 17.997 -9.124 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.824 -9.503 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.216 -7.991 8.649 1.00 0.00 H new ATOM 1443 N MET A 90 20.030 -8.903 7.945 1.00 0.00 N ATOM 1444 CA MET A 90 21.248 -8.856 7.120 1.00 0.00 C ATOM 1445 C MET A 90 21.458 -10.220 6.417 1.00 0.00 C ATOM 1446 O MET A 90 22.103 -10.285 5.362 1.00 0.00 O ATOM 1447 CB MET A 90 22.480 -8.478 7.988 1.00 0.00 C ATOM 1448 CG MET A 90 22.376 -7.183 8.831 1.00 0.00 C ATOM 1449 SD MET A 90 22.533 -5.649 7.872 1.00 0.00 S ATOM 1450 CE MET A 90 20.885 -5.391 7.234 1.00 0.00 C ATOM 0 H MET A 90 20.207 -9.045 8.940 1.00 0.00 H new ATOM 0 HA MET A 90 21.132 -8.087 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.684 -9.307 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.343 -8.385 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.417 -7.177 9.349 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.151 -7.199 9.597 1.00 0.00 H new ATOM 0 HE1 MET A 90 20.944 -5.068 6.195 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.322 -6.322 7.293 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.382 -4.625 7.824 1.00 0.00 H new ATOM 1460 N LEU A 91 20.927 -11.316 7.026 1.00 0.00 N ATOM 1461 CA LEU A 91 20.883 -12.661 6.392 1.00 0.00 C ATOM 1462 C LEU A 91 19.923 -12.679 5.199 1.00 0.00 C ATOM 1463 O LEU A 91 20.034 -13.546 4.328 1.00 0.00 O ATOM 1464 CB LEU A 91 20.502 -13.784 7.415 1.00 0.00 C ATOM 1465 CG LEU A 91 21.678 -14.452 8.195 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.177 -15.636 9.054 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.796 -14.892 7.226 1.00 0.00 C ATOM 0 H LEU A 91 20.521 -11.292 7.962 1.00 0.00 H new ATOM 0 HA LEU A 91 21.890 -12.871 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.809 -13.361 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 91 19.963 -14.565 6.878 1.00 0.00 H new ATOM 0 HG LEU A 91 22.098 -13.711 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.018 -16.081 9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.441 -15.277 9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.718 -16.385 8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.605 -15.355 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.396 -15.610 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.178 -14.022 6.692 1.00 0.00 H new ATOM 1479 N VAL A 92 18.966 -11.746 5.200 1.00 0.00 N ATOM 1480 CA VAL A 92 18.118 -11.473 4.029 1.00 0.00 C ATOM 1481 C VAL A 92 18.863 -10.486 3.109 1.00 0.00 C ATOM 1482 O VAL A 92 19.765 -9.756 3.562 1.00 0.00 O ATOM 1483 CB VAL A 92 16.710 -10.866 4.422 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.686 -10.973 3.252 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.157 -11.516 5.700 1.00 0.00 C ATOM 0 H VAL A 92 18.756 -11.159 6.007 1.00 0.00 H new ATOM 0 HA VAL A 92 17.926 -12.420 3.524 1.00 0.00 H new ATOM 0 HB VAL A 92 16.864 -9.806 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.733 -10.545 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.064 -10.428 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.544 -12.021 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.189 -11.077 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.039 -12.588 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.850 -11.345 6.524 1.00 0.00 H new ATOM 1495 N LYS A 93 18.504 -10.482 1.820 1.00 0.00 N ATOM 1496 CA LYS A 93 18.982 -9.476 0.876 1.00 0.00 C ATOM 1497 C LYS A 93 18.433 -8.102 1.297 1.00 0.00 C ATOM 1498 O LYS A 93 17.209 -7.904 1.317 1.00 0.00 O ATOM 1499 CB LYS A 93 18.541 -9.820 -0.563 1.00 0.00 C ATOM 1500 CG LYS A 93 19.142 -11.126 -1.143 1.00 0.00 C ATOM 1501 CD LYS A 93 20.652 -11.007 -1.469 1.00 0.00 C ATOM 1502 CE LYS A 93 20.945 -9.964 -2.560 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.390 -9.903 -2.880 1.00 0.00 N ATOM 0 H LYS A 93 17.878 -11.173 1.408 1.00 0.00 H new ATOM 0 HA LYS A 93 20.072 -9.455 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.454 -9.899 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.813 -8.992 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.993 -11.936 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.601 -11.397 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.195 -10.740 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.027 -11.978 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.382 -10.210 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.603 -8.984 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.552 -9.190 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.924 -9.644 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.710 -10.832 -3.220 1.00 0.00 H new ATOM 1517 N ARG A 94 19.356 -7.198 1.683 1.00 0.00 N ATOM 1518 CA ARG A 94 19.039 -5.815 2.073 1.00 0.00 C ATOM 1519 C ARG A 94 18.202 -5.100 0.980 1.00 0.00 C ATOM 1520 O ARG A 94 17.167 -4.553 1.317 1.00 0.00 O ATOM 1521 CB ARG A 94 20.330 -5.017 2.415 1.00 0.00 C ATOM 1522 CG ARG A 94 21.186 -5.639 3.536 1.00 0.00 C ATOM 1523 CD ARG A 94 22.482 -4.854 3.799 1.00 0.00 C ATOM 1524 NE ARG A 94 23.276 -5.466 4.878 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.548 -5.169 5.172 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.236 -4.315 4.437 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.125 -5.754 6.192 1.00 0.00 N ATOM 0 H ARG A 94 20.352 -7.413 1.732 1.00 0.00 H new ATOM 0 HA ARG A 94 18.430 -5.856 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.939 -4.932 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.050 -4.005 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.600 -5.682 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.436 -6.666 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.076 -4.815 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.238 -3.825 4.064 1.00 0.00 H new ATOM 0 HE ARG A 94 22.818 -6.176 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.799 -3.869 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 94 26.204 -4.101 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.606 -6.429 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.094 -5.535 6.425 1.00 0.00 H new ATOM 1541 N PRO A 95 18.605 -5.105 -0.353 1.00 0.00 N ATOM 1542 CA PRO A 95 17.716 -4.612 -1.415 1.00 0.00 C ATOM 1543 C PRO A 95 16.658 -5.679 -1.795 1.00 0.00 C ATOM 1544 O PRO A 95 16.961 -6.686 -2.451 1.00 0.00 O ATOM 1545 CB PRO A 95 18.695 -4.294 -2.572 1.00 0.00 C ATOM 1546 CG PRO A 95 19.818 -5.275 -2.409 1.00 0.00 C ATOM 1547 CD PRO A 95 19.923 -5.560 -0.922 1.00 0.00 C ATOM 0 HA PRO A 95 17.126 -3.741 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.210 -4.406 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.056 -3.267 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.619 -6.190 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.752 -4.864 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.091 -6.620 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.756 -5.020 -0.473 1.00 0.00 H new ATOM 1555 N LEU A 96 15.436 -5.473 -1.304 1.00 0.00 N ATOM 1556 CA LEU A 96 14.268 -6.317 -1.607 1.00 0.00 C ATOM 1557 C LEU A 96 13.038 -5.403 -1.716 1.00 0.00 C ATOM 1558 O LEU A 96 12.973 -4.366 -1.068 1.00 0.00 O ATOM 1559 CB LEU A 96 14.123 -7.436 -0.508 1.00 0.00 C ATOM 1560 CG LEU A 96 12.841 -8.365 -0.551 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.127 -9.790 -0.005 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.648 -7.759 0.216 1.00 0.00 C ATOM 0 H LEU A 96 15.221 -4.702 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 96 14.382 -6.839 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.002 -8.078 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.150 -6.950 0.467 1.00 0.00 H new ATOM 0 HG LEU A 96 12.576 -8.439 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.217 -10.388 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.905 -10.261 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.460 -9.723 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.795 -8.435 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.923 -7.614 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.382 -6.799 -0.225 1.00 0.00 H new ATOM 1574 N ALA A 97 12.087 -5.790 -2.562 1.00 0.00 N ATOM 1575 CA ALA A 97 10.805 -5.093 -2.721 1.00 0.00 C ATOM 1576 C ALA A 97 9.729 -6.159 -2.934 1.00 0.00 C ATOM 1577 O ALA A 97 9.809 -6.892 -3.906 1.00 0.00 O ATOM 1578 CB ALA A 97 10.880 -4.101 -3.896 1.00 0.00 C ATOM 0 H ALA A 97 12.182 -6.606 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 97 10.561 -4.505 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.923 -3.591 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.663 -3.367 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.108 -4.642 -4.815 1.00 0.00 H new ATOM 1584 N VAL A 98 8.750 -6.276 -2.020 1.00 0.00 N ATOM 1585 CA VAL A 98 7.769 -7.390 -2.042 1.00 0.00 C ATOM 1586 C VAL A 98 6.316 -6.895 -1.897 1.00 0.00 C ATOM 1587 O VAL A 98 6.050 -5.841 -1.321 1.00 0.00 O ATOM 1588 CB VAL A 98 8.098 -8.452 -0.912 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.921 -7.872 0.519 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.290 -9.762 -1.101 1.00 0.00 C ATOM 0 H VAL A 98 8.612 -5.616 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 98 7.857 -7.867 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 98 9.154 -8.701 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.159 -8.640 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.590 -7.022 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.890 -7.547 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.544 -10.464 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.223 -9.540 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.534 -10.204 -2.067 1.00 0.00 H new ATOM 1600 N MET A 99 5.392 -7.687 -2.460 1.00 0.00 N ATOM 1601 CA MET A 99 3.938 -7.573 -2.278 1.00 0.00 C ATOM 1602 C MET A 99 3.355 -9.004 -2.185 1.00 0.00 C ATOM 1603 O MET A 99 4.089 -9.962 -1.903 1.00 0.00 O ATOM 1604 CB MET A 99 3.269 -6.776 -3.447 1.00 0.00 C ATOM 1605 CG MET A 99 3.532 -5.264 -3.449 1.00 0.00 C ATOM 1606 SD MET A 99 2.330 -4.336 -4.441 1.00 0.00 S ATOM 1607 CE MET A 99 2.493 -5.082 -6.063 1.00 0.00 C ATOM 0 H MET A 99 5.648 -8.456 -3.080 1.00 0.00 H new ATOM 0 HA MET A 99 3.729 -7.017 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.619 -7.190 -4.393 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.192 -6.940 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.510 -4.896 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 99 4.534 -5.076 -3.833 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.503 -5.251 -6.487 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.058 -4.416 -6.715 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.017 -6.034 -5.975 1.00 0.00 H new ATOM 1617 N GLY A 100 2.035 -9.144 -2.395 1.00 0.00 N ATOM 1618 CA GLY A 100 1.379 -10.456 -2.442 1.00 0.00 C ATOM 1619 C GLY A 100 1.363 -11.055 -3.844 1.00 0.00 C ATOM 1620 O GLY A 100 1.272 -12.272 -4.005 1.00 0.00 O ATOM 0 H GLY A 100 1.401 -8.358 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.892 -11.139 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.355 -10.359 -2.081 1.00 0.00 H new ATOM 1624 N ASP A 101 1.443 -10.196 -4.870 1.00 0.00 N ATOM 1625 CA ASP A 101 1.433 -10.638 -6.282 1.00 0.00 C ATOM 1626 C ASP A 101 2.858 -10.731 -6.841 1.00 0.00 C ATOM 1627 O ASP A 101 3.197 -11.681 -7.556 1.00 0.00 O ATOM 1628 CB ASP A 101 0.588 -9.671 -7.159 1.00 0.00 C ATOM 1629 CG ASP A 101 -0.906 -9.654 -6.780 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -1.580 -10.690 -6.952 1.00 0.00 O ATOM 1631 OD2 ASP A 101 -1.411 -8.619 -6.300 1.00 0.00 O ATOM 0 H ASP A 101 1.516 -9.185 -4.753 1.00 0.00 H new ATOM 0 HA ASP A 101 0.980 -11.629 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.991 -8.662 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.687 -9.960 -8.205 1.00 0.00 H new ATOM 1636 N LYS A 102 3.698 -9.743 -6.490 1.00 0.00 N ATOM 1637 CA LYS A 102 5.007 -9.519 -7.141 1.00 0.00 C ATOM 1638 C LYS A 102 6.132 -9.304 -6.111 1.00 0.00 C ATOM 1639 O LYS A 102 5.863 -8.982 -4.954 1.00 0.00 O ATOM 1640 CB LYS A 102 4.901 -8.289 -8.077 1.00 0.00 C ATOM 1641 CG LYS A 102 4.014 -8.472 -9.323 1.00 0.00 C ATOM 1642 CD LYS A 102 4.462 -9.655 -10.214 1.00 0.00 C ATOM 1643 CE LYS A 102 3.741 -9.681 -11.566 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.264 -9.697 -11.407 1.00 0.00 N ATOM 0 H LYS A 102 3.492 -9.075 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 102 5.261 -10.410 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.516 -7.448 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.904 -8.017 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.983 -8.631 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.029 -7.555 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.537 -9.592 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.275 -10.592 -9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.034 -8.808 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.055 -10.561 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.816 -9.834 -12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.991 -10.475 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.949 -8.793 -11.001 1.00 0.00 H new ATOM 1658 N ILE A 103 7.396 -9.466 -6.575 1.00 0.00 N ATOM 1659 CA ILE A 103 8.614 -9.280 -5.748 1.00 0.00 C ATOM 1660 C ILE A 103 9.883 -9.163 -6.645 1.00 0.00 C ATOM 1661 O ILE A 103 9.984 -9.830 -7.685 1.00 0.00 O ATOM 1662 CB ILE A 103 8.792 -10.453 -4.705 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.053 -10.238 -3.793 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.839 -11.821 -5.422 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.234 -11.265 -2.684 1.00 0.00 C ATOM 0 H ILE A 103 7.600 -9.731 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 103 8.489 -8.350 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 103 7.922 -10.446 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.943 -10.246 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.991 -9.247 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.962 -12.614 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.910 -11.976 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.678 -11.839 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.131 -11.029 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.367 -11.244 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.333 -12.259 -3.121 1.00 0.00 H new ATOM 1677 N THR A 104 10.836 -8.296 -6.237 1.00 0.00 N ATOM 1678 CA THR A 104 12.155 -8.135 -6.879 1.00 0.00 C ATOM 1679 C THR A 104 13.267 -8.188 -5.818 1.00 0.00 C ATOM 1680 O THR A 104 13.127 -7.598 -4.737 1.00 0.00 O ATOM 1681 CB THR A 104 12.267 -6.777 -7.655 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.888 -5.685 -6.798 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.406 -6.753 -8.923 1.00 0.00 C ATOM 0 H THR A 104 10.705 -7.678 -5.436 1.00 0.00 H new ATOM 0 HA THR A 104 12.267 -8.952 -7.592 1.00 0.00 H new ATOM 0 HB THR A 104 13.308 -6.671 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.693 -5.249 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.520 -5.791 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.725 -7.550 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.360 -6.901 -8.655 1.00 0.00 H new ATOM 1691 N LEU A 105 14.357 -8.911 -6.135 1.00 0.00 N ATOM 1692 CA LEU A 105 15.570 -8.987 -5.290 1.00 0.00 C ATOM 1693 C LEU A 105 16.736 -8.279 -5.997 1.00 0.00 C ATOM 1694 O LEU A 105 16.939 -8.450 -7.209 1.00 0.00 O ATOM 1695 CB LEU A 105 15.938 -10.472 -4.960 1.00 0.00 C ATOM 1696 CG LEU A 105 15.225 -11.108 -3.733 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.638 -10.394 -2.445 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.694 -11.127 -3.902 1.00 0.00 C ATOM 0 H LEU A 105 14.424 -9.464 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 105 15.369 -8.484 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.717 -11.081 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.014 -10.528 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 105 15.545 -12.148 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.130 -10.852 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.716 -10.479 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.362 -9.341 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.236 -11.580 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.328 -10.107 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.433 -11.708 -4.786 1.00 0.00 H new ATOM 1710 N GLY A 106 17.487 -7.486 -5.213 1.00 0.00 N ATOM 1711 CA GLY A 106 18.620 -6.707 -5.711 1.00 0.00 C ATOM 1712 C GLY A 106 18.205 -5.532 -6.594 1.00 0.00 C ATOM 1713 O GLY A 106 17.008 -5.271 -6.794 1.00 0.00 O ATOM 0 H GLY A 106 17.320 -7.371 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.193 -6.331 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.281 -7.362 -6.278 1.00 0.00 H new ATOM 1717 N PHE A 107 19.206 -4.805 -7.117 1.00 0.00 N ATOM 1718 CA PHE A 107 18.991 -3.746 -8.109 1.00 0.00 C ATOM 1719 C PHE A 107 19.128 -4.347 -9.514 1.00 0.00 C ATOM 1720 O PHE A 107 20.243 -4.613 -9.982 1.00 0.00 O ATOM 1721 CB PHE A 107 19.990 -2.569 -7.913 1.00 0.00 C ATOM 1722 CG PHE A 107 19.802 -1.432 -8.923 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.696 -0.594 -8.843 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.701 -1.230 -9.971 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.495 0.407 -9.773 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.503 -0.222 -10.897 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.397 0.594 -10.797 1.00 0.00 C ATOM 0 H PHE A 107 20.185 -4.937 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 107 17.989 -3.338 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 107 19.877 -2.171 -6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.008 -2.950 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 107 17.984 -0.728 -8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.565 -1.871 -10.060 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.627 1.046 -9.697 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.214 -0.075 -11.697 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.238 1.379 -11.521 1.00 0.00 H new ATOM 1737 N LYS A 108 17.984 -4.620 -10.154 1.00 0.00 N ATOM 1738 CA LYS A 108 17.910 -5.010 -11.569 1.00 0.00 C ATOM 1739 C LYS A 108 16.781 -4.219 -12.234 1.00 0.00 C ATOM 1740 O LYS A 108 15.616 -4.372 -11.849 1.00 0.00 O ATOM 1741 CB LYS A 108 17.661 -6.536 -11.747 1.00 0.00 C ATOM 1742 CG LYS A 108 18.807 -7.443 -11.253 1.00 0.00 C ATOM 1743 CD LYS A 108 18.557 -8.933 -11.574 1.00 0.00 C ATOM 1744 CE LYS A 108 19.706 -9.840 -11.108 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.976 -9.533 -11.812 1.00 0.00 N ATOM 0 H LYS A 108 17.072 -4.576 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 108 18.868 -4.786 -12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.749 -6.805 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.485 -6.740 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.742 -7.126 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.925 -7.321 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.631 -9.253 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.419 -9.051 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.849 -9.721 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.438 -10.882 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.694 -10.241 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.817 -9.555 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.308 -8.588 -11.533 1.00 0.00 H new ATOM 1759 N GLU A 109 17.138 -3.370 -13.206 1.00 0.00 N ATOM 1760 CA GLU A 109 16.179 -2.586 -14.006 1.00 0.00 C ATOM 1761 C GLU A 109 15.180 -3.516 -14.716 1.00 0.00 C ATOM 1762 O GLU A 109 13.980 -3.245 -14.725 1.00 0.00 O ATOM 1763 CB GLU A 109 16.954 -1.742 -15.044 1.00 0.00 C ATOM 1764 CG GLU A 109 16.081 -0.913 -16.005 1.00 0.00 C ATOM 1765 CD GLU A 109 16.912 -0.087 -16.999 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.380 1.006 -16.627 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.132 -0.552 -18.138 1.00 0.00 O ATOM 0 H GLU A 109 18.111 -3.204 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 109 15.617 -1.926 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.622 -1.065 -14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.582 -2.410 -15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.421 -1.582 -16.557 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.445 -0.244 -15.426 1.00 0.00 H new ATOM 1774 N ASP A 110 15.720 -4.621 -15.279 1.00 0.00 N ATOM 1775 CA ASP A 110 14.935 -5.671 -15.963 1.00 0.00 C ATOM 1776 C ASP A 110 13.825 -6.221 -15.049 1.00 0.00 C ATOM 1777 O ASP A 110 12.667 -6.322 -15.461 1.00 0.00 O ATOM 1778 CB ASP A 110 15.867 -6.825 -16.430 1.00 0.00 C ATOM 1779 CG ASP A 110 15.100 -8.057 -16.977 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.499 -7.969 -18.073 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.096 -9.119 -16.314 1.00 0.00 O ATOM 0 H ASP A 110 16.722 -4.809 -15.270 1.00 0.00 H new ATOM 0 HA ASP A 110 14.462 -5.221 -16.836 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.536 -6.450 -17.205 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.492 -7.138 -15.593 1.00 0.00 H new ATOM 1786 N GLN A 111 14.199 -6.564 -13.806 1.00 0.00 N ATOM 1787 CA GLN A 111 13.254 -7.015 -12.783 1.00 0.00 C ATOM 1788 C GLN A 111 12.194 -5.943 -12.465 1.00 0.00 C ATOM 1789 O GLN A 111 11.027 -6.267 -12.367 1.00 0.00 O ATOM 1790 CB GLN A 111 14.016 -7.443 -11.502 1.00 0.00 C ATOM 1791 CG GLN A 111 14.727 -8.800 -11.622 1.00 0.00 C ATOM 1792 CD GLN A 111 13.753 -9.982 -11.616 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.257 -10.402 -12.657 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.452 -10.511 -10.436 1.00 0.00 N ATOM 0 H GLN A 111 15.167 -6.535 -13.486 1.00 0.00 H new ATOM 0 HA GLN A 111 12.721 -7.879 -13.179 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.753 -6.678 -11.258 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.313 -7.485 -10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.310 -8.820 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.431 -8.911 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.880 -10.141 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.793 -11.287 -10.378 1.00 0.00 H new ATOM 1803 N TYR A 112 12.596 -4.670 -12.330 1.00 0.00 N ATOM 1804 CA TYR A 112 11.651 -3.579 -11.977 1.00 0.00 C ATOM 1805 C TYR A 112 10.609 -3.347 -13.092 1.00 0.00 C ATOM 1806 O TYR A 112 9.418 -3.172 -12.807 1.00 0.00 O ATOM 1807 CB TYR A 112 12.403 -2.261 -11.652 1.00 0.00 C ATOM 1808 CG TYR A 112 13.339 -2.331 -10.429 1.00 0.00 C ATOM 1809 CD1 TYR A 112 12.973 -3.020 -9.265 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.583 -1.695 -10.434 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.810 -3.071 -8.165 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.418 -1.750 -9.334 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.031 -2.437 -8.207 1.00 0.00 C ATOM 1814 OH TYR A 112 15.871 -2.485 -7.113 1.00 0.00 O ATOM 0 H TYR A 112 13.561 -4.364 -12.457 1.00 0.00 H new ATOM 0 HA TYR A 112 11.119 -3.896 -11.080 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.989 -1.970 -12.524 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.669 -1.473 -11.484 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.017 -3.522 -9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.898 -1.151 -11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.507 -3.606 -7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.376 -1.253 -9.359 1.00 0.00 H new ATOM 0 HH TYR A 112 16.145 -3.412 -6.951 1.00 0.00 H new ATOM 1824 N LYS A 113 11.054 -3.394 -14.365 1.00 0.00 N ATOM 1825 CA LYS A 113 10.173 -3.127 -15.519 1.00 0.00 C ATOM 1826 C LYS A 113 9.269 -4.329 -15.843 1.00 0.00 C ATOM 1827 O LYS A 113 8.150 -4.156 -16.341 1.00 0.00 O ATOM 1828 CB LYS A 113 10.982 -2.615 -16.759 1.00 0.00 C ATOM 1829 CG LYS A 113 12.128 -3.525 -17.293 1.00 0.00 C ATOM 1830 CD LYS A 113 11.654 -4.681 -18.206 1.00 0.00 C ATOM 1831 CE LYS A 113 11.018 -4.188 -19.517 1.00 0.00 C ATOM 1832 NZ LYS A 113 10.527 -5.314 -20.345 1.00 0.00 N ATOM 0 H LYS A 113 12.017 -3.614 -14.619 1.00 0.00 H new ATOM 0 HA LYS A 113 9.502 -2.316 -15.238 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.278 -2.447 -17.574 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.412 -1.646 -16.504 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.837 -2.909 -17.846 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.666 -3.946 -16.444 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.503 -5.324 -18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.931 -5.291 -17.665 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.191 -3.516 -19.290 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.750 -3.612 -20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.105 -4.943 -21.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.321 -5.942 -20.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.810 -5.848 -19.814 1.00 0.00 H new ATOM 1846 N GLU A 114 9.760 -5.537 -15.535 1.00 0.00 N ATOM 1847 CA GLU A 114 9.021 -6.790 -15.768 1.00 0.00 C ATOM 1848 C GLU A 114 7.977 -7.023 -14.657 1.00 0.00 C ATOM 1849 O GLU A 114 6.825 -7.368 -14.927 1.00 0.00 O ATOM 1850 CB GLU A 114 10.016 -7.982 -15.846 1.00 0.00 C ATOM 1851 CG GLU A 114 9.376 -9.367 -16.101 1.00 0.00 C ATOM 1852 CD GLU A 114 8.586 -9.446 -17.424 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.216 -9.550 -18.497 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.338 -9.412 -17.400 1.00 0.00 O ATOM 0 H GLU A 114 10.680 -5.675 -15.117 1.00 0.00 H new ATOM 0 HA GLU A 114 8.489 -6.713 -16.716 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.735 -7.781 -16.640 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.577 -8.026 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.160 -10.125 -16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.709 -9.608 -15.274 1.00 0.00 H new ATOM 1861 N THR A 115 8.395 -6.797 -13.414 1.00 0.00 N ATOM 1862 CA THR A 115 7.628 -7.185 -12.221 1.00 0.00 C ATOM 1863 C THR A 115 6.649 -6.072 -11.776 1.00 0.00 C ATOM 1864 O THR A 115 5.493 -6.356 -11.446 1.00 0.00 O ATOM 1865 CB THR A 115 8.620 -7.544 -11.071 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.580 -8.500 -11.549 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.945 -8.115 -9.827 1.00 0.00 C ATOM 0 H THR A 115 9.280 -6.337 -13.199 1.00 0.00 H new ATOM 0 HA THR A 115 7.021 -8.056 -12.468 1.00 0.00 H new ATOM 0 HB THR A 115 9.094 -6.608 -10.777 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.335 -8.028 -11.959 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.700 -8.339 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.240 -7.385 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.412 -9.029 -10.089 1.00 0.00 H new ATOM 1875 N TRP A 116 7.109 -4.801 -11.778 1.00 0.00 N ATOM 1876 CA TRP A 116 6.309 -3.660 -11.259 1.00 0.00 C ATOM 1877 C TRP A 116 5.650 -2.849 -12.394 1.00 0.00 C ATOM 1878 O TRP A 116 4.504 -2.409 -12.260 1.00 0.00 O ATOM 1879 CB TRP A 116 7.181 -2.714 -10.383 1.00 0.00 C ATOM 1880 CG TRP A 116 7.980 -3.413 -9.295 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.338 -3.411 -9.150 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.471 -4.214 -8.211 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.697 -4.143 -8.056 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.580 -4.657 -7.471 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.197 -4.613 -7.797 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.453 -5.453 -6.346 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.075 -5.401 -6.671 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.200 -5.827 -5.964 1.00 0.00 C ATOM 0 H TRP A 116 8.028 -4.536 -12.132 1.00 0.00 H new ATOM 0 HA TRP A 116 5.519 -4.091 -10.644 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.871 -2.174 -11.031 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.533 -1.971 -9.918 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.029 -2.903 -9.807 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.653 -4.283 -7.728 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.321 -4.309 -8.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.322 -5.768 -5.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.092 -5.693 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.075 -6.463 -5.100 1.00 0.00 H new ATOM 1899 N LEU A 117 6.385 -2.650 -13.511 1.00 0.00 N ATOM 1900 CA LEU A 117 5.973 -1.717 -14.599 1.00 0.00 C ATOM 1901 C LEU A 117 5.167 -2.424 -15.711 1.00 0.00 C ATOM 1902 O LEU A 117 4.837 -3.612 -15.582 1.00 0.00 O ATOM 1903 CB LEU A 117 7.225 -1.003 -15.181 1.00 0.00 C ATOM 1904 CG LEU A 117 8.109 -0.272 -14.124 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.355 0.375 -14.760 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.272 0.757 -13.357 1.00 0.00 C ATOM 0 H LEU A 117 7.271 -3.123 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 117 5.305 -0.973 -14.164 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.838 -1.740 -15.700 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.899 -0.277 -15.926 1.00 0.00 H new ATOM 0 HG LEU A 117 8.474 -1.018 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.941 0.873 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.962 -0.395 -15.236 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.044 1.106 -15.507 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.899 1.261 -12.622 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.869 1.491 -14.055 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.451 0.252 -12.848 1.00 0.00 H new ATOM 1918 N ALA A 118 4.866 -1.650 -16.789 1.00 0.00 N ATOM 1919 CA ALA A 118 3.969 -2.036 -17.901 1.00 0.00 C ATOM 1920 C ALA A 118 2.492 -2.024 -17.431 1.00 0.00 C ATOM 1921 O ALA A 118 2.005 -3.040 -16.881 1.00 0.00 O ATOM 1922 CB ALA A 118 4.367 -3.372 -18.563 1.00 0.00 C ATOM 1923 OXT ALA A 118 1.834 -0.974 -17.574 1.00 0.00 O ATOM 0 H ALA A 118 5.255 -0.714 -16.907 1.00 0.00 H new ATOM 0 HA ALA A 118 4.080 -1.287 -18.685 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.671 -3.599 -19.370 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.377 -3.292 -18.966 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.335 -4.170 -17.821 1.00 0.00 H new TER 1929 ALA A 118