USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 967 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 NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 129 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 130 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 130 ZNZN :(H bumps) USER MOD Set 1.1: A 94 SER OG : rot -79:sc= 1.22 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -154:sc= 1.98 (180deg=0.818) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.49) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.332 K(o=0.33,f=-2.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.156 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.863 (180deg=0.853) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.83) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 2.48 (180deg=1.1) USER MOD Single : A 53 TYR OH : rot -163:sc= 0.655 USER MOD Single : A 54 GLN : amide:sc= 0.856 K(o=0.86,f=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc=0.000487 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.72 K(o=1.7,f=-6.3!) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0.986 (180deg=0.985) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.0989 K(o=0.099,f=-2) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.906 (180deg=0.852) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -27:sc= 0.0698 USER MOD Single : A 101 ASN : amide:sc=-0.00751 K(o=-0.0075,f=-0.72) USER MOD Single : A 102 MET CE :methyl -142:sc= 0 (180deg=-0.0776) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= -0.0244 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 1.04 K(o=1,f=-0.36) USER MOD Single : A 128 GLN : amide:sc= 0.866 K(o=0.87,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -23.288 27.302 -10.663 1.00 1.00 N ATOM 2 CA ALA A 2 -21.992 26.635 -10.507 1.00 1.00 C ATOM 3 C ALA A 2 -21.620 26.482 -9.017 1.00 1.00 C ATOM 4 O ALA A 2 -22.260 27.073 -8.142 1.00 1.00 O ATOM 5 CB ALA A 2 -20.931 27.464 -11.250 1.00 1.00 C ATOM 0 HA ALA A 2 -22.045 25.631 -10.929 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -19.957 26.985 -11.147 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -21.194 27.529 -12.306 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -20.889 28.467 -10.825 1.00 1.00 H new ATOM 11 N ASP A 3 -20.561 25.724 -8.713 1.00 1.00 N ATOM 12 CA ASP A 3 -20.062 25.522 -7.341 1.00 1.00 C ATOM 13 C ASP A 3 -19.681 26.839 -6.632 1.00 1.00 C ATOM 14 O ASP A 3 -19.823 26.948 -5.415 1.00 1.00 O ATOM 15 CB ASP A 3 -18.907 24.508 -7.331 1.00 1.00 C ATOM 16 CG ASP A 3 -17.619 25.035 -7.991 1.00 1.00 C ATOM 17 OD1 ASP A 3 -17.590 25.174 -9.236 1.00 1.00 O ATOM 18 OD2 ASP A 3 -16.625 25.282 -7.267 1.00 1.00 O ATOM 0 H ASP A 3 -20.017 25.226 -9.418 1.00 1.00 H new ATOM 0 HA ASP A 3 -20.886 25.109 -6.760 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -18.689 24.228 -6.300 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -19.225 23.602 -7.847 1.00 1.00 H new ATOM 23 N GLU A 4 -19.290 27.874 -7.384 1.00 1.00 N ATOM 24 CA GLU A 4 -19.000 29.230 -6.875 1.00 1.00 C ATOM 25 C GLU A 4 -20.227 29.915 -6.226 1.00 1.00 C ATOM 26 O GLU A 4 -20.084 30.932 -5.542 1.00 1.00 O ATOM 27 CB GLU A 4 -18.475 30.102 -8.031 1.00 1.00 C ATOM 28 CG GLU A 4 -17.075 29.714 -8.528 1.00 1.00 C ATOM 29 CD GLU A 4 -15.970 30.172 -7.554 1.00 1.00 C ATOM 30 OE1 GLU A 4 -15.620 29.418 -6.614 1.00 1.00 O ATOM 31 OE2 GLU A 4 -15.435 31.297 -7.724 1.00 1.00 O ATOM 0 H GLU A 4 -19.161 27.795 -8.393 1.00 1.00 H new ATOM 0 HA GLU A 4 -18.249 29.125 -6.092 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -19.174 30.039 -8.865 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -18.458 31.143 -7.707 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -17.022 28.633 -8.655 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -16.902 30.159 -9.508 1.00 1.00 H new ATOM 38 N PHE A 5 -21.428 29.359 -6.428 1.00 1.00 N ATOM 39 CA PHE A 5 -22.717 29.837 -5.914 1.00 1.00 C ATOM 40 C PHE A 5 -23.571 28.689 -5.316 1.00 1.00 C ATOM 41 O PHE A 5 -24.775 28.846 -5.097 1.00 1.00 O ATOM 42 CB PHE A 5 -23.420 30.580 -7.068 1.00 1.00 C ATOM 43 CG PHE A 5 -24.626 31.419 -6.679 1.00 1.00 C ATOM 44 CD1 PHE A 5 -24.459 32.567 -5.879 1.00 1.00 C ATOM 45 CD2 PHE A 5 -25.913 31.071 -7.133 1.00 1.00 C ATOM 46 CE1 PHE A 5 -25.571 33.353 -5.527 1.00 1.00 C ATOM 47 CE2 PHE A 5 -27.026 31.856 -6.781 1.00 1.00 C ATOM 48 CZ PHE A 5 -26.856 32.997 -5.976 1.00 1.00 C ATOM 0 H PHE A 5 -21.532 28.513 -6.988 1.00 1.00 H new ATOM 0 HA PHE A 5 -22.567 30.521 -5.079 1.00 1.00 H new ATOM 0 HB2 PHE A 5 -22.691 31.229 -7.554 1.00 1.00 H new ATOM 0 HB3 PHE A 5 -23.736 29.845 -7.808 1.00 1.00 H new ATOM 0 HD1 PHE A 5 -23.474 32.844 -5.535 1.00 1.00 H new ATOM 0 HD2 PHE A 5 -26.046 30.198 -7.754 1.00 1.00 H new ATOM 0 HE1 PHE A 5 -25.438 34.231 -4.912 1.00 1.00 H new ATOM 0 HE2 PHE A 5 -28.011 31.583 -7.129 1.00 1.00 H new ATOM 0 HZ PHE A 5 -27.710 33.599 -5.703 1.00 1.00 H new ATOM 58 N GLY A 6 -22.968 27.518 -5.052 1.00 1.00 N ATOM 59 CA GLY A 6 -23.677 26.338 -4.530 1.00 1.00 C ATOM 60 C GLY A 6 -22.790 25.208 -3.984 1.00 1.00 C ATOM 61 O GLY A 6 -23.153 24.036 -4.110 1.00 1.00 O ATOM 0 H GLY A 6 -21.970 27.363 -5.195 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -24.347 26.664 -3.735 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -24.301 25.931 -5.326 1.00 1.00 H new ATOM 65 N ASN A 7 -21.629 25.533 -3.403 1.00 1.00 N ATOM 66 CA ASN A 7 -20.691 24.559 -2.827 1.00 1.00 C ATOM 67 C ASN A 7 -21.325 23.731 -1.680 1.00 1.00 C ATOM 68 O ASN A 7 -22.195 24.215 -0.949 1.00 1.00 O ATOM 69 CB ASN A 7 -19.438 25.320 -2.349 1.00 1.00 C ATOM 70 CG ASN A 7 -18.312 24.403 -1.894 1.00 1.00 C ATOM 71 OD1 ASN A 7 -18.087 23.330 -2.437 1.00 1.00 O ATOM 72 ND2 ASN A 7 -17.574 24.783 -0.875 1.00 1.00 N ATOM 0 H ASN A 7 -21.308 26.498 -3.318 1.00 1.00 H new ATOM 0 HA ASN A 7 -20.418 23.834 -3.594 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -19.076 25.954 -3.158 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -19.714 25.980 -1.527 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -16.819 24.184 -0.541 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -17.757 25.676 -0.418 1.00 1.00 H new ATOM 79 N GLY A 8 -20.861 22.492 -1.496 1.00 1.00 N ATOM 80 CA GLY A 8 -21.318 21.572 -0.448 1.00 1.00 C ATOM 81 C GLY A 8 -20.535 20.253 -0.410 1.00 1.00 C ATOM 82 O GLY A 8 -19.729 19.964 -1.299 1.00 1.00 O ATOM 0 H GLY A 8 -20.136 22.088 -2.089 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -21.232 22.065 0.520 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -22.375 21.354 -0.602 1.00 1.00 H new ATOM 86 N ASP A 9 -20.776 19.448 0.628 1.00 1.00 N ATOM 87 CA ASP A 9 -20.133 18.146 0.867 1.00 1.00 C ATOM 88 C ASP A 9 -21.048 17.211 1.701 1.00 1.00 C ATOM 89 O ASP A 9 -22.101 17.623 2.205 1.00 1.00 O ATOM 90 CB ASP A 9 -18.773 18.392 1.562 1.00 1.00 C ATOM 91 CG ASP A 9 -17.804 17.192 1.579 1.00 1.00 C ATOM 92 OD1 ASP A 9 -18.003 16.197 0.840 1.00 1.00 O ATOM 93 OD2 ASP A 9 -16.811 17.238 2.340 1.00 1.00 O ATOM 0 H ASP A 9 -21.449 19.691 1.355 1.00 1.00 H new ATOM 0 HA ASP A 9 -19.963 17.638 -0.082 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -18.279 19.228 1.067 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -18.962 18.698 2.591 1.00 1.00 H new ATOM 98 N ALA A 10 -20.628 15.961 1.862 1.00 1.00 N ATOM 99 CA ALA A 10 -21.263 14.877 2.610 1.00 1.00 C ATOM 100 C ALA A 10 -20.219 14.161 3.499 1.00 1.00 C ATOM 101 O ALA A 10 -19.045 14.544 3.515 1.00 1.00 O ATOM 102 CB ALA A 10 -21.951 13.932 1.611 1.00 1.00 C ATOM 0 H ALA A 10 -19.756 15.651 1.434 1.00 1.00 H new ATOM 0 HA ALA A 10 -22.025 15.264 3.286 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -22.430 13.117 2.153 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -22.703 14.484 1.046 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -21.208 13.525 0.925 1.00 1.00 H new ATOM 108 N LEU A 11 -20.622 13.133 4.255 1.00 1.00 N ATOM 109 CA LEU A 11 -19.715 12.378 5.124 1.00 1.00 C ATOM 110 C LEU A 11 -19.917 10.860 4.974 1.00 1.00 C ATOM 111 O LEU A 11 -20.990 10.320 5.242 1.00 1.00 O ATOM 112 CB LEU A 11 -19.869 12.850 6.585 1.00 1.00 C ATOM 113 CG LEU A 11 -18.625 12.527 7.435 1.00 1.00 C ATOM 114 CD1 LEU A 11 -17.500 13.539 7.196 1.00 1.00 C ATOM 115 CD2 LEU A 11 -18.969 12.545 8.923 1.00 1.00 C ATOM 0 H LEU A 11 -21.586 12.802 4.281 1.00 1.00 H new ATOM 0 HA LEU A 11 -18.689 12.578 4.815 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -20.049 13.925 6.601 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -20.744 12.374 7.029 1.00 1.00 H new ATOM 0 HG LEU A 11 -18.289 11.534 7.135 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -16.640 13.279 7.812 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -17.212 13.521 6.145 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -17.847 14.538 7.460 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -18.077 12.314 9.505 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.338 13.533 9.199 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -19.738 11.800 9.128 1.00 1.00 H new ATOM 127 N ASP A 12 -18.852 10.189 4.540 1.00 1.00 N ATOM 128 CA ASP A 12 -18.735 8.745 4.289 1.00 1.00 C ATOM 129 C ASP A 12 -17.636 8.130 5.187 1.00 1.00 C ATOM 130 O ASP A 12 -16.819 7.309 4.762 1.00 1.00 O ATOM 131 CB ASP A 12 -18.530 8.504 2.780 1.00 1.00 C ATOM 132 CG ASP A 12 -17.199 9.041 2.211 1.00 1.00 C ATOM 133 OD1 ASP A 12 -16.869 10.231 2.437 1.00 1.00 O ATOM 134 OD2 ASP A 12 -16.507 8.289 1.482 1.00 1.00 O ATOM 0 H ASP A 12 -17.978 10.674 4.337 1.00 1.00 H new ATOM 0 HA ASP A 12 -19.655 8.229 4.563 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -18.585 7.433 2.587 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -19.354 8.968 2.238 1.00 1.00 H new ATOM 139 N LEU A 13 -17.612 8.579 6.447 1.00 1.00 N ATOM 140 CA LEU A 13 -16.643 8.251 7.502 1.00 1.00 C ATOM 141 C LEU A 13 -17.339 7.886 8.829 1.00 1.00 C ATOM 142 O LEU A 13 -18.509 8.242 9.021 1.00 1.00 O ATOM 143 CB LEU A 13 -15.783 9.515 7.724 1.00 1.00 C ATOM 144 CG LEU A 13 -14.737 9.747 6.624 1.00 1.00 C ATOM 145 CD1 LEU A 13 -14.477 11.241 6.469 1.00 1.00 C ATOM 146 CD2 LEU A 13 -13.426 9.034 6.959 1.00 1.00 C ATOM 0 H LEU A 13 -18.322 9.230 6.782 1.00 1.00 H new ATOM 0 HA LEU A 13 -16.050 7.389 7.196 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -16.438 10.385 7.781 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -15.276 9.435 8.685 1.00 1.00 H new ATOM 0 HG LEU A 13 -15.125 9.341 5.690 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -13.734 11.402 5.688 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -15.404 11.745 6.198 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -14.106 11.645 7.411 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -12.701 9.213 6.165 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -13.034 9.417 7.901 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -13.607 7.963 7.050 1.00 1.00 H new ATOM 158 N PRO A 14 -16.634 7.222 9.768 1.00 1.00 N ATOM 159 CA PRO A 14 -17.164 6.918 11.097 1.00 1.00 C ATOM 160 C PRO A 14 -17.420 8.213 11.895 1.00 1.00 C ATOM 161 O PRO A 14 -16.850 9.266 11.597 1.00 1.00 O ATOM 162 CB PRO A 14 -16.107 6.024 11.757 1.00 1.00 C ATOM 163 CG PRO A 14 -14.806 6.425 11.071 1.00 1.00 C ATOM 164 CD PRO A 14 -15.258 6.750 9.651 1.00 1.00 C ATOM 0 HA PRO A 14 -18.129 6.412 11.054 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -16.059 6.190 12.833 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.328 4.967 11.607 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -14.342 7.285 11.554 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -14.074 5.617 11.088 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -14.620 7.512 9.203 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -15.200 5.869 9.011 1.00 1.00 H new ATOM 172 N VAL A 15 -18.279 8.137 12.920 1.00 1.00 N ATOM 173 CA VAL A 15 -18.667 9.291 13.767 1.00 1.00 C ATOM 174 C VAL A 15 -18.684 8.929 15.267 1.00 1.00 C ATOM 175 O VAL A 15 -19.460 9.470 16.059 1.00 1.00 O ATOM 176 CB VAL A 15 -20.001 9.938 13.295 1.00 1.00 C ATOM 177 CG1 VAL A 15 -20.049 11.430 13.665 1.00 1.00 C ATOM 178 CG2 VAL A 15 -20.240 9.880 11.776 1.00 1.00 C ATOM 0 H VAL A 15 -18.734 7.266 13.194 1.00 1.00 H new ATOM 0 HA VAL A 15 -17.895 10.050 13.643 1.00 1.00 H new ATOM 0 HB VAL A 15 -20.766 9.349 13.801 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -20.991 11.859 13.324 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -19.971 11.539 14.747 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -19.219 11.950 13.187 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -21.193 10.354 11.539 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -19.435 10.405 11.261 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -20.262 8.840 11.451 1.00 1.00 H new ATOM 188 N GLY A 16 -17.830 7.986 15.675 1.00 1.00 N ATOM 189 CA GLY A 16 -17.704 7.538 17.065 1.00 1.00 C ATOM 190 C GLY A 16 -16.741 6.366 17.269 1.00 1.00 C ATOM 191 O GLY A 16 -16.313 5.713 16.311 1.00 1.00 O ATOM 0 H GLY A 16 -17.196 7.504 15.038 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -17.370 8.377 17.675 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.689 7.250 17.432 1.00 1.00 H new ATOM 195 N LYS A 17 -16.422 6.085 18.539 1.00 1.00 N ATOM 196 CA LYS A 17 -15.516 5.007 18.984 1.00 1.00 C ATOM 197 C LYS A 17 -15.940 3.628 18.468 1.00 1.00 C ATOM 198 O LYS A 17 -15.097 2.868 17.996 1.00 1.00 O ATOM 199 CB LYS A 17 -15.458 5.068 20.526 1.00 1.00 C ATOM 200 CG LYS A 17 -14.723 3.926 21.248 1.00 1.00 C ATOM 201 CD LYS A 17 -13.247 3.769 20.853 1.00 1.00 C ATOM 202 CE LYS A 17 -12.487 2.845 21.818 1.00 1.00 C ATOM 203 NZ LYS A 17 -13.020 1.456 21.844 1.00 1.00 N ATOM 0 H LYS A 17 -16.801 6.621 19.319 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.522 5.159 18.564 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.983 6.007 20.809 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.481 5.102 20.901 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.782 4.095 22.323 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.242 2.990 21.043 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.183 3.368 19.842 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.770 4.749 20.838 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -11.436 2.818 21.532 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.533 3.264 22.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -12.466 0.884 22.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -14.016 1.472 22.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -12.952 1.040 20.893 1.00 1.00 H new ATOM 217 N ASP A 18 -17.235 3.319 18.515 1.00 1.00 N ATOM 218 CA ASP A 18 -17.784 2.046 18.027 1.00 1.00 C ATOM 219 C ASP A 18 -17.599 1.886 16.508 1.00 1.00 C ATOM 220 O ASP A 18 -17.164 0.831 16.045 1.00 1.00 O ATOM 221 CB ASP A 18 -19.272 1.946 18.394 1.00 1.00 C ATOM 222 CG ASP A 18 -19.486 1.852 19.912 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.338 0.743 20.478 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.805 2.888 20.544 1.00 1.00 O ATOM 0 H ASP A 18 -17.942 3.948 18.895 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.234 1.238 18.509 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.800 2.817 18.007 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.706 1.070 17.912 1.00 1.00 H new ATOM 229 N ALA A 19 -17.878 2.939 15.729 1.00 1.00 N ATOM 230 CA ALA A 19 -17.708 2.922 14.276 1.00 1.00 C ATOM 231 C ALA A 19 -16.230 2.769 13.880 1.00 1.00 C ATOM 232 O ALA A 19 -15.915 1.954 13.013 1.00 1.00 O ATOM 233 CB ALA A 19 -18.329 4.188 13.677 1.00 1.00 C ATOM 0 H ALA A 19 -18.228 3.826 16.092 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.225 2.053 13.870 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.204 4.178 12.594 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.391 4.222 13.919 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.835 5.067 14.091 1.00 1.00 H new ATOM 239 N VAL A 20 -15.314 3.500 14.533 1.00 1.00 N ATOM 240 CA VAL A 20 -13.864 3.377 14.282 1.00 1.00 C ATOM 241 C VAL A 20 -13.375 1.965 14.635 1.00 1.00 C ATOM 242 O VAL A 20 -12.634 1.366 13.858 1.00 1.00 O ATOM 243 CB VAL A 20 -13.060 4.462 15.030 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.547 4.240 14.908 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.359 5.852 14.455 1.00 1.00 C ATOM 0 H VAL A 20 -15.552 4.190 15.246 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.692 3.538 13.218 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.361 4.397 16.076 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.019 5.026 15.449 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.286 3.270 15.331 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.259 4.266 13.857 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.782 6.602 14.997 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.085 5.876 13.400 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.422 6.068 14.559 1.00 1.00 H new ATOM 255 N ASN A 21 -13.817 1.393 15.761 1.00 1.00 N ATOM 256 CA ASN A 21 -13.465 0.029 16.162 1.00 1.00 C ATOM 257 C ASN A 21 -13.897 -1.003 15.100 1.00 1.00 C ATOM 258 O ASN A 21 -13.091 -1.844 14.695 1.00 1.00 O ATOM 259 CB ASN A 21 -14.100 -0.237 17.537 1.00 1.00 C ATOM 260 CG ASN A 21 -13.957 -1.682 17.975 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.935 -2.103 18.496 1.00 1.00 O ATOM 262 ND2 ASN A 21 -14.978 -2.484 17.772 1.00 1.00 N ATOM 0 H ASN A 21 -14.432 1.867 16.422 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.383 -0.075 16.241 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.635 0.412 18.279 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.157 0.025 17.502 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.920 -3.464 18.050 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.828 -2.127 17.337 1.00 1.00 H new ATOM 269 N SER A 22 -15.139 -0.918 14.608 1.00 1.00 N ATOM 270 CA SER A 22 -15.645 -1.807 13.550 1.00 1.00 C ATOM 271 C SER A 22 -14.903 -1.602 12.225 1.00 1.00 C ATOM 272 O SER A 22 -14.572 -2.578 11.554 1.00 1.00 O ATOM 273 CB SER A 22 -17.148 -1.597 13.342 1.00 1.00 C ATOM 274 OG SER A 22 -17.857 -2.029 14.493 1.00 1.00 O ATOM 0 H SER A 22 -15.822 -0.233 14.930 1.00 1.00 H new ATOM 0 HA SER A 22 -15.466 -2.830 13.879 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.354 -0.544 13.150 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.484 -2.152 12.466 1.00 1.00 H new ATOM 0 HG SER A 22 -18.818 -1.891 14.356 1.00 1.00 H new ATOM 280 N LEU A 23 -14.591 -0.356 11.853 1.00 1.00 N ATOM 281 CA LEU A 23 -13.836 -0.026 10.638 1.00 1.00 C ATOM 282 C LEU A 23 -12.429 -0.641 10.663 1.00 1.00 C ATOM 283 O LEU A 23 -12.002 -1.219 9.661 1.00 1.00 O ATOM 284 CB LEU A 23 -13.803 1.508 10.501 1.00 1.00 C ATOM 285 CG LEU A 23 -13.145 2.041 9.217 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.931 1.652 7.964 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.107 3.566 9.292 1.00 1.00 C ATOM 0 H LEU A 23 -14.860 0.465 12.396 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.326 -0.455 9.764 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.826 1.882 10.547 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.273 1.921 11.359 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.147 1.608 9.147 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.429 2.050 7.082 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.986 0.566 7.891 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.939 2.063 8.025 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.643 3.963 8.389 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.123 3.951 9.378 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.528 3.873 10.163 1.00 1.00 H new ATOM 299 N ILE A 24 -11.736 -0.565 11.806 1.00 1.00 N ATOM 300 CA ILE A 24 -10.421 -1.190 12.009 1.00 1.00 C ATOM 301 C ILE A 24 -10.556 -2.719 11.918 1.00 1.00 C ATOM 302 O ILE A 24 -9.794 -3.357 11.193 1.00 1.00 O ATOM 303 CB ILE A 24 -9.810 -0.747 13.363 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.426 0.752 13.336 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.566 -1.587 13.714 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.159 1.329 14.734 1.00 1.00 C ATOM 0 H ILE A 24 -12.076 -0.062 12.626 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.739 -0.861 11.225 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.571 -0.906 14.127 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.537 0.882 12.719 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.228 1.318 12.862 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.159 -1.253 14.669 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.845 -2.638 13.786 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.813 -1.464 12.936 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.895 2.383 14.648 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.055 1.228 15.346 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.337 0.786 15.201 1.00 1.00 H new ATOM 318 N ARG A 25 -11.534 -3.313 12.619 1.00 1.00 N ATOM 319 CA ARG A 25 -11.795 -4.766 12.633 1.00 1.00 C ATOM 320 C ARG A 25 -12.068 -5.343 11.237 1.00 1.00 C ATOM 321 O ARG A 25 -11.493 -6.367 10.872 1.00 1.00 O ATOM 322 CB ARG A 25 -12.952 -5.045 13.612 1.00 1.00 C ATOM 323 CG ARG A 25 -13.258 -6.532 13.783 1.00 1.00 C ATOM 324 CD ARG A 25 -14.349 -6.756 14.837 1.00 1.00 C ATOM 325 NE ARG A 25 -14.652 -8.193 14.994 1.00 1.00 N ATOM 326 CZ ARG A 25 -15.559 -8.727 15.795 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.317 -8.001 16.568 1.00 1.00 N ATOM 328 NH2 ARG A 25 -15.722 -10.018 15.836 1.00 1.00 N ATOM 0 H ARG A 25 -12.182 -2.787 13.206 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.895 -5.278 12.973 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.706 -4.618 14.584 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.848 -4.536 13.258 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.578 -6.952 12.830 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.351 -7.061 14.076 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.026 -6.343 15.793 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -15.253 -6.220 14.548 1.00 1.00 H new ATOM 0 HE ARG A 25 -14.105 -8.840 14.426 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -16.221 -6.986 16.568 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -17.006 -8.448 17.173 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -15.149 -10.623 15.248 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -16.423 -10.424 16.456 1.00 1.00 H new ATOM 342 N GLU A 26 -12.923 -4.688 10.454 1.00 1.00 N ATOM 343 CA GLU A 26 -13.289 -5.105 9.089 1.00 1.00 C ATOM 344 C GLU A 26 -12.166 -4.902 8.049 1.00 1.00 C ATOM 345 O GLU A 26 -12.244 -5.455 6.951 1.00 1.00 O ATOM 346 CB GLU A 26 -14.554 -4.349 8.643 1.00 1.00 C ATOM 347 CG GLU A 26 -15.827 -4.793 9.381 1.00 1.00 C ATOM 348 CD GLU A 26 -16.268 -6.213 8.970 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.972 -6.361 7.942 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.921 -7.191 9.676 1.00 1.00 O ATOM 0 H GLU A 26 -13.394 -3.834 10.751 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.472 -6.179 9.133 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.405 -3.281 8.803 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.695 -4.494 7.572 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.651 -4.765 10.456 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.632 -4.089 9.171 1.00 1.00 H new ATOM 357 N ASN A 27 -11.126 -4.125 8.376 1.00 1.00 N ATOM 358 CA ASN A 27 -9.995 -3.807 7.495 1.00 1.00 C ATOM 359 C ASN A 27 -8.631 -4.017 8.189 1.00 1.00 C ATOM 360 O ASN A 27 -7.685 -3.257 7.968 1.00 1.00 O ATOM 361 CB ASN A 27 -10.167 -2.372 6.968 1.00 1.00 C ATOM 362 CG ASN A 27 -11.450 -2.161 6.187 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.538 -2.442 4.999 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.480 -1.659 6.829 1.00 1.00 N ATOM 0 H ASN A 27 -11.046 -3.685 9.293 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.996 -4.499 6.653 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -10.146 -1.680 7.810 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.318 -2.124 6.330 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.360 -1.501 6.338 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.400 -1.427 7.819 1.00 1.00 H new ATOM 371 N SER A 28 -8.527 -5.039 9.045 1.00 1.00 N ATOM 372 CA SER A 28 -7.326 -5.375 9.836 1.00 1.00 C ATOM 373 C SER A 28 -6.023 -5.534 9.031 1.00 1.00 C ATOM 374 O SER A 28 -4.927 -5.422 9.586 1.00 1.00 O ATOM 375 CB SER A 28 -7.590 -6.635 10.668 1.00 1.00 C ATOM 376 OG SER A 28 -7.884 -7.742 9.827 1.00 1.00 O ATOM 0 H SER A 28 -9.301 -5.681 9.216 1.00 1.00 H new ATOM 0 HA SER A 28 -7.153 -4.509 10.476 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.718 -6.860 11.282 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.422 -6.459 11.349 1.00 1.00 H new ATOM 0 HG SER A 28 -8.048 -8.536 10.377 1.00 1.00 H new ATOM 382 N HIS A 29 -6.123 -5.763 7.718 1.00 1.00 N ATOM 383 CA HIS A 29 -5.000 -5.878 6.782 1.00 1.00 C ATOM 384 C HIS A 29 -4.361 -4.526 6.411 1.00 1.00 C ATOM 385 O HIS A 29 -3.207 -4.512 5.976 1.00 1.00 O ATOM 386 CB HIS A 29 -5.484 -6.618 5.521 1.00 1.00 C ATOM 387 CG HIS A 29 -6.578 -5.918 4.740 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.820 -5.514 5.246 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.528 -5.614 3.411 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.481 -4.967 4.210 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.728 -5.010 3.099 1.00 1.00 N ATOM 0 H HIS A 29 -7.027 -5.878 7.259 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.212 -6.441 7.281 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.631 -6.773 4.861 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.844 -7.604 5.814 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.708 -5.808 2.735 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.477 -4.552 4.264 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.998 -4.656 2.181 1.00 1.00 H new ATOM 399 N ILE A 30 -5.073 -3.403 6.590 1.00 1.00 N ATOM 400 CA ILE A 30 -4.616 -2.036 6.252 1.00 1.00 C ATOM 401 C ILE A 30 -4.802 -0.990 7.365 1.00 1.00 C ATOM 402 O ILE A 30 -4.117 0.034 7.345 1.00 1.00 O ATOM 403 CB ILE A 30 -5.265 -1.537 4.939 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.811 -1.576 5.000 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.703 -2.319 3.739 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.516 -0.982 3.776 1.00 1.00 C ATOM 0 H ILE A 30 -6.013 -3.416 6.986 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.539 -2.136 6.121 1.00 1.00 H new ATOM 0 HB ILE A 30 -5.002 -0.487 4.806 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -7.130 -2.611 5.119 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -7.140 -1.037 5.889 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -5.167 -1.959 2.821 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.624 -2.172 3.682 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.919 -3.380 3.863 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.596 -1.053 3.908 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.232 0.064 3.665 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -7.223 -1.534 2.883 1.00 1.00 H new ATOM 418 N PHE A 31 -5.669 -1.236 8.346 1.00 1.00 N ATOM 419 CA PHE A 31 -5.922 -0.364 9.501 1.00 1.00 C ATOM 420 C PHE A 31 -5.686 -1.162 10.793 1.00 1.00 C ATOM 421 O PHE A 31 -5.996 -2.354 10.860 1.00 1.00 O ATOM 422 CB PHE A 31 -7.381 0.138 9.496 1.00 1.00 C ATOM 423 CG PHE A 31 -7.919 0.865 8.271 1.00 1.00 C ATOM 424 CD1 PHE A 31 -7.083 1.560 7.374 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.308 0.848 8.037 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.623 2.148 6.217 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.849 1.437 6.882 1.00 1.00 C ATOM 428 CZ PHE A 31 -9.003 2.073 5.961 1.00 1.00 C ATOM 0 H PHE A 31 -6.239 -2.081 8.362 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.249 0.491 9.445 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -8.024 -0.724 9.673 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.500 0.805 10.350 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -6.025 1.641 7.576 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.964 0.377 8.754 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.974 2.660 5.521 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.914 1.400 6.703 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.411 2.504 5.058 1.00 1.00 H new ATOM 438 N SER A 32 -5.159 -0.517 11.832 1.00 1.00 N ATOM 439 CA SER A 32 -4.914 -1.135 13.140 1.00 1.00 C ATOM 440 C SER A 32 -5.119 -0.148 14.293 1.00 1.00 C ATOM 441 O SER A 32 -5.296 1.058 14.096 1.00 1.00 O ATOM 442 CB SER A 32 -3.511 -1.764 13.196 1.00 1.00 C ATOM 443 OG SER A 32 -2.521 -0.836 13.612 1.00 1.00 O ATOM 0 H SER A 32 -4.885 0.465 11.791 1.00 1.00 H new ATOM 0 HA SER A 32 -5.652 -1.928 13.263 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.522 -2.611 13.881 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.250 -2.153 12.212 1.00 1.00 H new ATOM 0 HG SER A 32 -1.647 -1.278 13.635 1.00 1.00 H new ATOM 449 N ASP A 33 -5.063 -0.671 15.518 1.00 1.00 N ATOM 450 CA ASP A 33 -5.176 0.091 16.764 1.00 1.00 C ATOM 451 C ASP A 33 -4.054 1.138 16.953 1.00 1.00 C ATOM 452 O ASP A 33 -4.193 2.039 17.782 1.00 1.00 O ATOM 453 CB ASP A 33 -5.171 -0.924 17.918 1.00 1.00 C ATOM 454 CG ASP A 33 -5.487 -0.286 19.277 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.586 0.302 19.409 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.669 -0.412 20.219 1.00 1.00 O ATOM 0 H ASP A 33 -4.933 -1.670 15.677 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.100 0.668 16.738 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.902 -1.706 17.711 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.194 -1.406 17.967 1.00 1.00 H new ATOM 461 N THR A 34 -2.950 1.035 16.194 1.00 1.00 N ATOM 462 CA THR A 34 -1.778 1.929 16.301 1.00 1.00 C ATOM 463 C THR A 34 -1.169 2.390 14.967 1.00 1.00 C ATOM 464 O THR A 34 -0.173 3.112 14.990 1.00 1.00 O ATOM 465 CB THR A 34 -0.668 1.300 17.168 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.270 0.041 16.660 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.080 1.108 18.628 1.00 1.00 C ATOM 0 H THR A 34 -2.842 0.318 15.477 1.00 1.00 H new ATOM 0 HA THR A 34 -2.183 2.823 16.775 1.00 1.00 H new ATOM 0 HB THR A 34 0.158 2.010 17.129 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.435 -0.333 17.228 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.255 0.662 19.183 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.331 2.074 19.065 1.00 1.00 H new ATOM 0 HG23 THR A 34 -1.948 0.451 18.678 1.00 1.00 H new ATOM 475 N GLN A 35 -1.719 2.027 13.800 1.00 1.00 N ATOM 476 CA GLN A 35 -1.178 2.443 12.495 1.00 1.00 C ATOM 477 C GLN A 35 -2.203 2.339 11.347 1.00 1.00 C ATOM 478 O GLN A 35 -3.014 1.414 11.303 1.00 1.00 O ATOM 479 CB GLN A 35 0.041 1.545 12.177 1.00 1.00 C ATOM 480 CG GLN A 35 0.878 2.000 10.968 1.00 1.00 C ATOM 481 CD GLN A 35 2.107 1.120 10.730 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.092 -0.094 10.889 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.224 1.691 10.332 1.00 1.00 N ATOM 0 H GLN A 35 -2.549 1.438 13.732 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.902 3.495 12.567 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.686 1.508 13.055 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.311 0.529 11.996 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.253 1.991 10.075 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.199 3.030 11.122 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.259 2.701 10.193 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.055 1.124 10.162 1.00 1.00 H new ATOM 492 N CYS A 36 -2.102 3.244 10.368 1.00 1.00 N ATOM 493 CA CYS A 36 -2.881 3.223 9.124 1.00 1.00 C ATOM 494 C CYS A 36 -1.903 3.058 7.948 1.00 1.00 C ATOM 495 O CYS A 36 -1.094 3.951 7.687 1.00 1.00 O ATOM 496 CB CYS A 36 -3.692 4.521 8.983 1.00 1.00 C ATOM 497 SG CYS A 36 -4.640 4.647 7.441 1.00 1.00 S ATOM 0 H CYS A 36 -1.458 4.034 10.420 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.587 2.392 9.134 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.379 4.599 9.825 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -3.011 5.370 9.047 1.00 1.00 H new ATOM 502 N LYS A 37 -1.966 1.930 7.226 1.00 1.00 N ATOM 503 CA LYS A 37 -1.079 1.642 6.078 1.00 1.00 C ATOM 504 C LYS A 37 -1.440 2.452 4.834 1.00 1.00 C ATOM 505 O LYS A 37 -0.545 2.869 4.104 1.00 1.00 O ATOM 506 CB LYS A 37 -1.107 0.147 5.729 1.00 1.00 C ATOM 507 CG LYS A 37 -0.697 -0.758 6.900 1.00 1.00 C ATOM 508 CD LYS A 37 -0.526 -2.191 6.385 1.00 1.00 C ATOM 509 CE LYS A 37 -0.422 -3.191 7.542 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.512 -4.588 7.044 1.00 1.00 N ATOM 0 H LYS A 37 -2.635 1.185 7.419 1.00 1.00 H new ATOM 0 HA LYS A 37 -0.076 1.934 6.390 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.111 -0.124 5.404 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.439 -0.035 4.887 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.234 -0.403 7.342 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.454 -0.727 7.683 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.371 -2.454 5.749 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.370 -2.253 5.767 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.522 -3.048 8.068 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.219 -3.005 8.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.371 -5.248 7.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.450 -4.747 6.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.222 -4.748 6.325 1.00 1.00 H new ATOM 524 N VAL A 38 -2.733 2.716 4.615 1.00 1.00 N ATOM 525 CA VAL A 38 -3.241 3.527 3.486 1.00 1.00 C ATOM 526 C VAL A 38 -2.584 4.907 3.469 1.00 1.00 C ATOM 527 O VAL A 38 -2.079 5.347 2.437 1.00 1.00 O ATOM 528 CB VAL A 38 -4.779 3.648 3.558 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.349 4.716 2.623 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.422 2.305 3.206 1.00 1.00 C ATOM 0 H VAL A 38 -3.474 2.369 5.224 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.981 3.022 2.556 1.00 1.00 H new ATOM 0 HB VAL A 38 -5.013 3.945 4.580 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.434 4.747 2.725 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.932 5.689 2.884 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -5.088 4.474 1.593 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.507 2.396 3.258 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -5.131 2.016 2.196 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -5.087 1.545 3.912 1.00 1.00 H new ATOM 540 N CYS A 39 -2.556 5.570 4.625 1.00 1.00 N ATOM 541 CA CYS A 39 -1.946 6.883 4.825 1.00 1.00 C ATOM 542 C CYS A 39 -0.481 6.790 5.310 1.00 1.00 C ATOM 543 O CYS A 39 0.143 7.818 5.576 1.00 1.00 O ATOM 544 CB CYS A 39 -2.839 7.634 5.815 1.00 1.00 C ATOM 545 SG CYS A 39 -4.564 7.784 5.264 1.00 1.00 S ATOM 0 H CYS A 39 -2.972 5.194 5.477 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.885 7.420 3.879 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.816 7.119 6.776 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.430 8.631 5.978 1.00 1.00 H new ATOM 550 N SER A 40 0.052 5.563 5.426 1.00 1.00 N ATOM 551 CA SER A 40 1.389 5.186 5.916 1.00 1.00 C ATOM 552 C SER A 40 1.847 6.047 7.106 1.00 1.00 C ATOM 553 O SER A 40 2.883 6.721 7.076 1.00 1.00 O ATOM 554 CB SER A 40 2.388 5.137 4.752 1.00 1.00 C ATOM 555 OG SER A 40 3.525 4.366 5.109 1.00 1.00 O ATOM 0 H SER A 40 -0.486 4.739 5.157 1.00 1.00 H new ATOM 0 HA SER A 40 1.336 4.177 6.325 1.00 1.00 H new ATOM 0 HB2 SER A 40 1.910 4.706 3.872 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.695 6.148 4.485 1.00 1.00 H new ATOM 0 HG SER A 40 4.153 4.342 4.357 1.00 1.00 H new ATOM 561 N ALA A 41 1.015 6.054 8.151 1.00 1.00 N ATOM 562 CA ALA A 41 1.193 6.862 9.358 1.00 1.00 C ATOM 563 C ALA A 41 0.890 6.083 10.647 1.00 1.00 C ATOM 564 O ALA A 41 -0.030 5.262 10.701 1.00 1.00 O ATOM 565 CB ALA A 41 0.291 8.099 9.239 1.00 1.00 C ATOM 0 H ALA A 41 0.173 5.479 8.180 1.00 1.00 H new ATOM 0 HA ALA A 41 2.240 7.155 9.431 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.405 8.719 10.128 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.575 8.673 8.357 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.748 7.784 9.147 1.00 1.00 H new ATOM 571 N VAL A 42 1.659 6.371 11.700 1.00 1.00 N ATOM 572 CA VAL A 42 1.515 5.765 13.036 1.00 1.00 C ATOM 573 C VAL A 42 0.509 6.580 13.862 1.00 1.00 C ATOM 574 O VAL A 42 0.396 7.800 13.719 1.00 1.00 O ATOM 575 CB VAL A 42 2.885 5.667 13.748 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.810 4.884 15.066 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.922 4.943 12.873 1.00 1.00 C ATOM 0 H VAL A 42 2.420 7.049 11.651 1.00 1.00 H new ATOM 0 HA VAL A 42 1.135 4.749 12.930 1.00 1.00 H new ATOM 0 HB VAL A 42 3.178 6.699 13.940 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.799 4.846 15.523 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.115 5.379 15.744 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.463 3.870 14.868 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.873 4.892 13.403 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.573 3.934 12.655 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.056 5.490 11.940 1.00 1.00 H new ATOM 587 N LEU A 43 -0.228 5.891 14.729 1.00 1.00 N ATOM 588 CA LEU A 43 -1.307 6.391 15.583 1.00 1.00 C ATOM 589 C LEU A 43 -0.965 6.064 17.048 1.00 1.00 C ATOM 590 O LEU A 43 -1.523 5.152 17.656 1.00 1.00 O ATOM 591 CB LEU A 43 -2.641 5.780 15.091 1.00 1.00 C ATOM 592 CG LEU A 43 -2.950 6.007 13.596 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.166 5.193 13.161 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.205 7.481 13.287 1.00 1.00 C ATOM 0 H LEU A 43 -0.076 4.892 14.865 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.418 7.474 15.526 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.625 4.707 15.285 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.455 6.199 15.683 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.071 5.679 13.041 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.363 5.370 12.104 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.970 4.133 13.321 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -5.034 5.494 13.747 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.419 7.598 12.225 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.057 7.833 13.869 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.322 8.065 13.546 1.00 1.00 H new ATOM 606 N ILE A 44 0.030 6.782 17.585 1.00 1.00 N ATOM 607 CA ILE A 44 0.628 6.601 18.926 1.00 1.00 C ATOM 608 C ILE A 44 -0.321 6.662 20.146 1.00 1.00 C ATOM 609 O ILE A 44 0.107 6.351 21.261 1.00 1.00 O ATOM 610 CB ILE A 44 1.849 7.542 19.105 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.615 9.043 18.808 1.00 1.00 C ATOM 612 CG2 ILE A 44 3.008 7.065 18.212 1.00 1.00 C ATOM 613 CD1 ILE A 44 0.538 9.717 19.662 1.00 1.00 C ATOM 0 H ILE A 44 0.467 7.548 17.072 1.00 1.00 H new ATOM 0 HA ILE A 44 0.942 5.557 18.929 1.00 1.00 H new ATOM 0 HB ILE A 44 2.071 7.478 20.170 1.00 1.00 H new ATOM 0 HG12 ILE A 44 2.555 9.576 18.951 1.00 1.00 H new ATOM 0 HG13 ILE A 44 1.344 9.151 17.758 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.863 7.728 18.341 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.290 6.050 18.493 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.693 7.078 17.169 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.451 10.765 19.377 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -0.418 9.217 19.503 1.00 1.00 H new ATOM 0 HD13 ILE A 44 0.813 9.649 20.715 1.00 1.00 H new ATOM 625 N SER A 45 -1.593 7.026 19.969 1.00 1.00 N ATOM 626 CA SER A 45 -2.614 7.082 21.025 1.00 1.00 C ATOM 627 C SER A 45 -4.019 6.944 20.432 1.00 1.00 C ATOM 628 O SER A 45 -4.243 7.264 19.261 1.00 1.00 O ATOM 629 CB SER A 45 -2.511 8.408 21.789 1.00 1.00 C ATOM 630 OG SER A 45 -3.322 8.368 22.953 1.00 1.00 O ATOM 0 H SER A 45 -1.956 7.300 19.056 1.00 1.00 H new ATOM 0 HA SER A 45 -2.438 6.252 21.710 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.474 8.597 22.066 1.00 1.00 H new ATOM 0 HB3 SER A 45 -2.824 9.231 21.147 1.00 1.00 H new ATOM 0 HG SER A 45 -3.247 9.219 23.433 1.00 1.00 H new ATOM 636 N GLU A 46 -4.987 6.500 21.237 1.00 1.00 N ATOM 637 CA GLU A 46 -6.386 6.345 20.820 1.00 1.00 C ATOM 638 C GLU A 46 -7.009 7.664 20.338 1.00 1.00 C ATOM 639 O GLU A 46 -7.756 7.653 19.364 1.00 1.00 O ATOM 640 CB GLU A 46 -7.190 5.704 21.958 1.00 1.00 C ATOM 641 CG GLU A 46 -8.649 5.443 21.556 1.00 1.00 C ATOM 642 CD GLU A 46 -9.247 4.292 22.375 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.800 4.531 23.475 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.174 3.135 21.892 1.00 1.00 O ATOM 0 H GLU A 46 -4.822 6.235 22.208 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.414 5.682 19.955 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.721 4.764 22.249 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.166 6.356 22.831 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.239 6.347 21.708 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.700 5.203 20.494 1.00 1.00 H new ATOM 651 N SER A 47 -6.668 8.809 20.938 1.00 1.00 N ATOM 652 CA SER A 47 -7.158 10.118 20.472 1.00 1.00 C ATOM 653 C SER A 47 -6.668 10.435 19.051 1.00 1.00 C ATOM 654 O SER A 47 -7.450 10.900 18.220 1.00 1.00 O ATOM 655 CB SER A 47 -6.763 11.226 21.450 1.00 1.00 C ATOM 656 OG SER A 47 -5.365 11.214 21.697 1.00 1.00 O ATOM 0 H SER A 47 -6.053 8.860 21.750 1.00 1.00 H new ATOM 0 HA SER A 47 -8.246 10.068 20.435 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.056 12.195 21.045 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.303 11.097 22.388 1.00 1.00 H new ATOM 0 HG SER A 47 -5.137 11.932 22.324 1.00 1.00 H new ATOM 662 N GLN A 48 -5.406 10.115 18.734 1.00 1.00 N ATOM 663 CA GLN A 48 -4.852 10.261 17.382 1.00 1.00 C ATOM 664 C GLN A 48 -5.525 9.275 16.414 1.00 1.00 C ATOM 665 O GLN A 48 -5.883 9.671 15.306 1.00 1.00 O ATOM 666 CB GLN A 48 -3.322 10.069 17.386 1.00 1.00 C ATOM 667 CG GLN A 48 -2.554 11.376 17.644 1.00 1.00 C ATOM 668 CD GLN A 48 -2.803 11.973 19.029 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.325 11.481 20.040 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.541 13.059 19.134 1.00 1.00 N ATOM 0 H GLN A 48 -4.738 9.746 19.411 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.059 11.274 17.038 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.055 9.340 18.151 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.011 9.654 16.427 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.487 11.189 17.525 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.836 12.108 16.887 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.947 13.482 18.300 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.706 13.477 20.050 1.00 1.00 H new ATOM 679 N LYS A 49 -5.747 8.015 16.825 1.00 1.00 N ATOM 680 CA LYS A 49 -6.434 7.002 16.000 1.00 1.00 C ATOM 681 C LYS A 49 -7.865 7.443 15.663 1.00 1.00 C ATOM 682 O LYS A 49 -8.261 7.425 14.499 1.00 1.00 O ATOM 683 CB LYS A 49 -6.323 5.605 16.672 1.00 1.00 C ATOM 684 CG LYS A 49 -7.636 4.941 17.127 1.00 1.00 C ATOM 685 CD LYS A 49 -7.415 3.628 17.890 1.00 1.00 C ATOM 686 CE LYS A 49 -8.785 3.109 18.346 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.682 2.058 19.389 1.00 1.00 N ATOM 0 H LYS A 49 -5.456 7.668 17.739 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.939 6.908 15.034 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.827 4.931 15.973 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.672 5.698 17.541 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.186 5.635 17.763 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.259 4.746 16.254 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -6.923 2.894 17.252 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.764 3.791 18.749 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.374 3.941 18.732 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.322 2.710 17.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.507 1.428 19.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.813 1.506 19.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.653 2.503 20.329 1.00 1.00 H new ATOM 701 N LEU A 50 -8.614 7.904 16.667 1.00 1.00 N ATOM 702 CA LEU A 50 -9.986 8.396 16.516 1.00 1.00 C ATOM 703 C LEU A 50 -10.043 9.621 15.597 1.00 1.00 C ATOM 704 O LEU A 50 -10.916 9.685 14.734 1.00 1.00 O ATOM 705 CB LEU A 50 -10.594 8.699 17.903 1.00 1.00 C ATOM 706 CG LEU A 50 -10.960 7.450 18.734 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.435 7.864 20.125 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.083 6.628 18.101 1.00 1.00 C ATOM 0 H LEU A 50 -8.277 7.947 17.629 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.583 7.617 16.042 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.886 9.302 18.471 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.491 9.304 17.767 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.056 6.843 18.780 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.690 6.975 20.702 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.640 8.410 20.633 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.314 8.502 20.034 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.298 5.763 18.728 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.978 7.243 18.012 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.774 6.291 17.111 1.00 1.00 H new ATOM 720 N ALA A 51 -9.124 10.578 15.741 1.00 1.00 N ATOM 721 CA ALA A 51 -9.081 11.752 14.871 1.00 1.00 C ATOM 722 C ALA A 51 -8.707 11.385 13.423 1.00 1.00 C ATOM 723 O ALA A 51 -9.339 11.870 12.485 1.00 1.00 O ATOM 724 CB ALA A 51 -8.101 12.771 15.468 1.00 1.00 C ATOM 0 H ALA A 51 -8.397 10.561 16.456 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.077 12.193 14.820 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.059 13.653 14.829 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.438 13.060 16.463 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.109 12.325 15.537 1.00 1.00 H new ATOM 730 N HIS A 52 -7.711 10.515 13.229 1.00 1.00 N ATOM 731 CA HIS A 52 -7.264 10.091 11.903 1.00 1.00 C ATOM 732 C HIS A 52 -8.355 9.342 11.123 1.00 1.00 C ATOM 733 O HIS A 52 -8.660 9.713 9.989 1.00 1.00 O ATOM 734 CB HIS A 52 -6.003 9.226 12.049 1.00 1.00 C ATOM 735 CG HIS A 52 -5.398 8.857 10.719 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.359 9.507 10.090 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.835 7.873 9.872 1.00 1.00 C ATOM 738 CE1 HIS A 52 -4.189 8.947 8.880 1.00 1.00 C ATOM 739 NE2 HIS A 52 -5.076 7.954 8.702 1.00 1.00 N ATOM 0 H HIS A 52 -7.191 10.084 13.993 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.035 10.985 11.322 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.264 9.764 12.644 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.252 8.317 12.596 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.814 10.278 10.475 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.624 7.163 10.073 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.447 9.251 8.156 1.00 1.00 H new ATOM 747 N TYR A 53 -8.977 8.316 11.718 1.00 1.00 N ATOM 748 CA TYR A 53 -10.014 7.522 11.043 1.00 1.00 C ATOM 749 C TYR A 53 -11.323 8.287 10.771 1.00 1.00 C ATOM 750 O TYR A 53 -12.094 7.868 9.909 1.00 1.00 O ATOM 751 CB TYR A 53 -10.257 6.207 11.803 1.00 1.00 C ATOM 752 CG TYR A 53 -9.086 5.232 11.762 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.576 4.788 10.524 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.514 4.750 12.956 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.491 3.892 10.481 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.429 3.854 12.920 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.915 3.421 11.681 1.00 1.00 C ATOM 758 OH TYR A 53 -5.880 2.543 11.644 1.00 1.00 O ATOM 0 H TYR A 53 -8.779 8.014 12.672 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.628 7.290 10.051 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.485 6.439 12.843 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.137 5.717 11.386 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -9.020 5.137 9.604 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.912 5.071 13.907 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -7.099 3.565 9.529 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.991 3.499 13.841 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.785 2.112 12.519 1.00 1.00 H new ATOM 768 N GLN A 54 -11.572 9.413 11.454 1.00 1.00 N ATOM 769 CA GLN A 54 -12.753 10.269 11.238 1.00 1.00 C ATOM 770 C GLN A 54 -12.454 11.490 10.336 1.00 1.00 C ATOM 771 O GLN A 54 -13.383 12.185 9.918 1.00 1.00 O ATOM 772 CB GLN A 54 -13.312 10.734 12.595 1.00 1.00 C ATOM 773 CG GLN A 54 -13.870 9.579 13.443 1.00 1.00 C ATOM 774 CD GLN A 54 -14.397 10.066 14.788 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.590 10.215 15.013 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.523 10.336 15.732 1.00 1.00 N ATOM 0 H GLN A 54 -10.951 9.762 12.184 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.496 9.668 10.714 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.523 11.239 13.153 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.101 11.467 12.425 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.672 9.082 12.897 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.088 8.837 13.606 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.526 10.215 15.554 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.842 10.667 16.643 1.00 1.00 H new ATOM 785 N SER A 55 -11.181 11.772 10.030 1.00 1.00 N ATOM 786 CA SER A 55 -10.752 12.904 9.191 1.00 1.00 C ATOM 787 C SER A 55 -11.177 12.775 7.722 1.00 1.00 C ATOM 788 O SER A 55 -11.117 11.693 7.130 1.00 1.00 O ATOM 789 CB SER A 55 -9.226 13.039 9.250 1.00 1.00 C ATOM 790 OG SER A 55 -8.796 14.122 8.438 1.00 1.00 O ATOM 0 H SER A 55 -10.401 11.207 10.366 1.00 1.00 H new ATOM 0 HA SER A 55 -11.246 13.788 9.595 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.908 13.199 10.280 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.759 12.114 8.912 1.00 1.00 H new ATOM 0 HG SER A 55 -7.820 14.199 8.485 1.00 1.00 H new ATOM 796 N ARG A 56 -11.541 13.905 7.095 1.00 1.00 N ATOM 797 CA ARG A 56 -11.900 13.989 5.665 1.00 1.00 C ATOM 798 C ARG A 56 -10.744 13.571 4.743 1.00 1.00 C ATOM 799 O ARG A 56 -10.981 13.059 3.647 1.00 1.00 O ATOM 800 CB ARG A 56 -12.402 15.414 5.339 1.00 1.00 C ATOM 801 CG ARG A 56 -13.347 15.462 4.125 1.00 1.00 C ATOM 802 CD ARG A 56 -14.765 14.997 4.488 1.00 1.00 C ATOM 803 NE ARG A 56 -15.617 14.860 3.290 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.988 13.746 2.685 1.00 1.00 C ATOM 805 NH1 ARG A 56 -15.588 12.572 3.086 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.772 13.786 1.651 1.00 1.00 N ATOM 0 H ARG A 56 -11.596 14.804 7.574 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.704 13.278 5.476 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.919 15.818 6.210 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.545 16.060 5.149 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.387 16.479 3.735 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -12.950 14.831 3.330 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.713 14.041 5.009 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -15.217 15.711 5.177 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.960 15.729 2.881 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -14.968 12.492 3.892 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.895 11.733 2.594 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.107 14.683 1.299 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.053 12.920 1.190 1.00 1.00 H new ATOM 820 N LYS A 57 -9.493 13.746 5.191 1.00 1.00 N ATOM 821 CA LYS A 57 -8.283 13.351 4.446 1.00 1.00 C ATOM 822 C LYS A 57 -8.220 11.833 4.252 1.00 1.00 C ATOM 823 O LYS A 57 -7.915 11.377 3.151 1.00 1.00 O ATOM 824 CB LYS A 57 -7.012 13.848 5.166 1.00 1.00 C ATOM 825 CG LYS A 57 -6.673 15.333 4.946 1.00 1.00 C ATOM 826 CD LYS A 57 -7.688 16.326 5.538 1.00 1.00 C ATOM 827 CE LYS A 57 -7.160 17.769 5.545 1.00 1.00 C ATOM 828 NZ LYS A 57 -6.996 18.329 4.176 1.00 1.00 N ATOM 0 H LYS A 57 -9.287 14.172 6.095 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.335 13.818 3.462 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.128 13.673 6.236 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.166 13.246 4.834 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -5.694 15.535 5.381 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -6.590 15.516 3.875 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -8.612 16.283 4.962 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.933 16.027 6.557 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -7.846 18.399 6.111 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -6.201 17.798 6.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -6.638 19.303 4.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -6.321 17.746 3.641 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -7.915 18.329 3.689 1.00 1.00 H new ATOM 842 N HIS A 58 -8.548 11.053 5.288 1.00 1.00 N ATOM 843 CA HIS A 58 -8.539 9.584 5.245 1.00 1.00 C ATOM 844 C HIS A 58 -9.491 9.026 4.179 1.00 1.00 C ATOM 845 O HIS A 58 -9.089 8.148 3.421 1.00 1.00 O ATOM 846 CB HIS A 58 -8.843 9.026 6.644 1.00 1.00 C ATOM 847 CG HIS A 58 -8.768 7.519 6.736 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.601 6.761 6.891 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.841 6.675 6.689 1.00 1.00 C ATOM 850 CE1 HIS A 58 -8.005 5.482 6.942 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.341 5.399 6.824 1.00 1.00 N ATOM 0 H HIS A 58 -8.831 11.428 6.193 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.543 9.255 4.949 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -8.141 9.458 7.357 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.840 9.349 6.944 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.878 6.954 6.569 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.346 4.635 7.062 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.890 4.539 6.833 1.00 1.00 H new ATOM 859 N ALA A 59 -10.713 9.561 4.047 1.00 1.00 N ATOM 860 CA ALA A 59 -11.662 9.129 3.008 1.00 1.00 C ATOM 861 C ALA A 59 -11.089 9.301 1.589 1.00 1.00 C ATOM 862 O ALA A 59 -11.140 8.381 0.770 1.00 1.00 O ATOM 863 CB ALA A 59 -12.968 9.919 3.151 1.00 1.00 C ATOM 0 H ALA A 59 -11.071 10.300 4.652 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.853 8.065 3.149 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.672 9.600 2.382 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -13.398 9.736 4.136 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.764 10.984 3.037 1.00 1.00 H new ATOM 869 N ASN A 60 -10.503 10.470 1.308 1.00 1.00 N ATOM 870 CA ASN A 60 -9.874 10.767 0.019 1.00 1.00 C ATOM 871 C ASN A 60 -8.658 9.855 -0.235 1.00 1.00 C ATOM 872 O ASN A 60 -8.503 9.327 -1.339 1.00 1.00 O ATOM 873 CB ASN A 60 -9.514 12.264 -0.022 1.00 1.00 C ATOM 874 CG ASN A 60 -10.743 13.141 -0.201 1.00 1.00 C ATOM 875 OD1 ASN A 60 -11.236 13.325 -1.304 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.317 13.671 0.853 1.00 1.00 N ATOM 0 H ASN A 60 -10.452 11.241 1.974 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.572 10.558 -0.791 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -9.003 12.539 0.901 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.816 12.447 -0.839 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -12.164 14.229 0.746 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.916 13.525 1.779 1.00 1.00 H new ATOM 883 N LYS A 61 -7.821 9.618 0.788 1.00 1.00 N ATOM 884 CA LYS A 61 -6.661 8.715 0.694 1.00 1.00 C ATOM 885 C LYS A 61 -7.091 7.267 0.432 1.00 1.00 C ATOM 886 O LYS A 61 -6.512 6.617 -0.432 1.00 1.00 O ATOM 887 CB LYS A 61 -5.777 8.842 1.952 1.00 1.00 C ATOM 888 CG LYS A 61 -4.297 9.093 1.627 1.00 1.00 C ATOM 889 CD LYS A 61 -3.628 7.934 0.878 1.00 1.00 C ATOM 890 CE LYS A 61 -2.127 8.211 0.748 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.394 7.020 0.247 1.00 1.00 N ATOM 0 H LYS A 61 -7.930 10.048 1.706 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.061 9.017 -0.164 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -6.150 9.659 2.570 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.863 7.930 2.543 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.214 9.999 1.026 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.756 9.275 2.555 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.791 6.998 1.413 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.075 7.819 -0.110 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.968 9.049 0.069 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.725 8.505 1.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.383 7.248 0.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.512 6.233 0.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.773 6.744 -0.682 1.00 1.00 H new ATOM 905 N VAL A 62 -8.134 6.775 1.114 1.00 1.00 N ATOM 906 CA VAL A 62 -8.707 5.434 0.886 1.00 1.00 C ATOM 907 C VAL A 62 -9.239 5.320 -0.545 1.00 1.00 C ATOM 908 O VAL A 62 -8.933 4.340 -1.217 1.00 1.00 O ATOM 909 CB VAL A 62 -9.803 5.102 1.922 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.604 3.838 1.572 1.00 1.00 C ATOM 911 CG2 VAL A 62 -9.186 4.852 3.304 1.00 1.00 C ATOM 0 H VAL A 62 -8.611 7.299 1.848 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.913 4.699 1.016 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.466 5.967 1.919 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.357 3.661 2.339 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.093 3.973 0.607 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.930 2.983 1.521 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.976 4.620 4.018 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.491 4.014 3.246 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.652 5.744 3.631 1.00 1.00 H new ATOM 921 N ARG A 63 -9.975 6.320 -1.048 1.00 1.00 N ATOM 922 CA ARG A 63 -10.490 6.327 -2.434 1.00 1.00 C ATOM 923 C ARG A 63 -9.360 6.202 -3.466 1.00 1.00 C ATOM 924 O ARG A 63 -9.468 5.410 -4.403 1.00 1.00 O ATOM 925 CB ARG A 63 -11.332 7.592 -2.647 1.00 1.00 C ATOM 926 CG ARG A 63 -12.119 7.531 -3.965 1.00 1.00 C ATOM 927 CD ARG A 63 -13.045 8.741 -4.104 1.00 1.00 C ATOM 928 NE ARG A 63 -12.287 9.988 -4.345 1.00 1.00 N ATOM 929 CZ ARG A 63 -12.151 11.019 -3.531 1.00 1.00 C ATOM 930 NH1 ARG A 63 -12.754 11.100 -2.380 1.00 1.00 N ATOM 931 NH2 ARG A 63 -11.380 12.018 -3.844 1.00 1.00 N ATOM 0 H ARG A 63 -10.233 7.148 -0.511 1.00 1.00 H new ATOM 0 HA ARG A 63 -11.124 5.453 -2.584 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -12.025 7.714 -1.814 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -10.682 8.467 -2.651 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -11.426 7.500 -4.806 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -12.706 6.613 -4.001 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -13.741 8.574 -4.926 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -13.642 8.848 -3.198 1.00 1.00 H new ATOM 0 HE ARG A 63 -11.814 10.060 -5.246 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -13.365 10.344 -2.070 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -12.615 11.919 -1.788 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -10.871 12.012 -4.728 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -11.284 12.808 -3.206 1.00 1.00 H new ATOM 945 N ARG A 64 -8.255 6.933 -3.266 1.00 1.00 N ATOM 946 CA ARG A 64 -7.054 6.869 -4.121 1.00 1.00 C ATOM 947 C ARG A 64 -6.359 5.507 -4.010 1.00 1.00 C ATOM 948 O ARG A 64 -6.048 4.893 -5.026 1.00 1.00 O ATOM 949 CB ARG A 64 -6.123 8.043 -3.756 1.00 1.00 C ATOM 950 CG ARG A 64 -4.817 8.119 -4.571 1.00 1.00 C ATOM 951 CD ARG A 64 -4.999 8.089 -6.098 1.00 1.00 C ATOM 952 NE ARG A 64 -5.832 9.206 -6.585 1.00 1.00 N ATOM 953 CZ ARG A 64 -6.353 9.334 -7.794 1.00 1.00 C ATOM 954 NH1 ARG A 64 -6.175 8.440 -8.726 1.00 1.00 N ATOM 955 NH2 ARG A 64 -7.072 10.378 -8.093 1.00 1.00 N ATOM 0 H ARG A 64 -8.165 7.596 -2.496 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.341 6.968 -5.168 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.671 8.976 -3.889 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -5.869 7.970 -2.698 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -4.291 9.035 -4.301 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -4.176 7.286 -4.280 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -4.022 8.131 -6.579 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -5.457 7.144 -6.389 1.00 1.00 H new ATOM 0 HE ARG A 64 -6.026 9.956 -5.921 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -5.618 7.607 -8.534 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -6.593 8.573 -9.647 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -7.236 11.102 -7.393 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -7.471 10.472 -9.027 1.00 1.00 H new ATOM 969 N TYR A 65 -6.155 5.006 -2.791 1.00 1.00 N ATOM 970 CA TYR A 65 -5.542 3.699 -2.527 1.00 1.00 C ATOM 971 C TYR A 65 -6.342 2.549 -3.162 1.00 1.00 C ATOM 972 O TYR A 65 -5.759 1.663 -3.784 1.00 1.00 O ATOM 973 CB TYR A 65 -5.400 3.527 -1.011 1.00 1.00 C ATOM 974 CG TYR A 65 -4.694 2.258 -0.571 1.00 1.00 C ATOM 975 CD1 TYR A 65 -5.424 1.064 -0.408 1.00 1.00 C ATOM 976 CD2 TYR A 65 -3.312 2.279 -0.295 1.00 1.00 C ATOM 977 CE1 TYR A 65 -4.776 -0.107 0.035 1.00 1.00 C ATOM 978 CE2 TYR A 65 -2.661 1.112 0.149 1.00 1.00 C ATOM 979 CZ TYR A 65 -3.394 -0.086 0.316 1.00 1.00 C ATOM 980 OH TYR A 65 -2.774 -1.219 0.745 1.00 1.00 O ATOM 0 H TYR A 65 -6.416 5.506 -1.941 1.00 1.00 H new ATOM 0 HA TYR A 65 -4.556 3.663 -2.990 1.00 1.00 H new ATOM 0 HB2 TYR A 65 -4.856 4.384 -0.613 1.00 1.00 H new ATOM 0 HB3 TYR A 65 -6.394 3.545 -0.564 1.00 1.00 H new ATOM 0 HD1 TYR A 65 -6.482 1.046 -0.623 1.00 1.00 H new ATOM 0 HD2 TYR A 65 -2.751 3.193 -0.424 1.00 1.00 H new ATOM 0 HE1 TYR A 65 -5.338 -1.021 0.159 1.00 1.00 H new ATOM 0 HE2 TYR A 65 -1.602 1.132 0.362 1.00 1.00 H new ATOM 0 HH TYR A 65 -1.823 -1.036 0.892 1.00 1.00 H new ATOM 990 N MET A 66 -7.676 2.579 -3.066 1.00 1.00 N ATOM 991 CA MET A 66 -8.567 1.582 -3.677 1.00 1.00 C ATOM 992 C MET A 66 -8.419 1.531 -5.210 1.00 1.00 C ATOM 993 O MET A 66 -8.511 0.453 -5.796 1.00 1.00 O ATOM 994 CB MET A 66 -10.027 1.860 -3.275 1.00 1.00 C ATOM 995 CG MET A 66 -10.290 1.455 -1.819 1.00 1.00 C ATOM 996 SD MET A 66 -10.212 -0.332 -1.506 1.00 1.00 S ATOM 997 CE MET A 66 -9.461 -0.302 0.143 1.00 1.00 C ATOM 0 H MET A 66 -8.176 3.306 -2.555 1.00 1.00 H new ATOM 0 HA MET A 66 -8.275 0.602 -3.299 1.00 1.00 H new ATOM 0 HB2 MET A 66 -10.247 2.920 -3.406 1.00 1.00 H new ATOM 0 HB3 MET A 66 -10.699 1.311 -3.935 1.00 1.00 H new ATOM 0 HG2 MET A 66 -9.562 1.955 -1.179 1.00 1.00 H new ATOM 0 HG3 MET A 66 -11.275 1.819 -1.526 1.00 1.00 H new ATOM 0 HE1 MET A 66 -9.334 -1.323 0.503 1.00 1.00 H new ATOM 0 HE2 MET A 66 -8.489 0.188 0.091 1.00 1.00 H new ATOM 0 HE3 MET A 66 -10.108 0.247 0.828 1.00 1.00 H new ATOM 1007 N ALA A 67 -8.141 2.669 -5.861 1.00 1.00 N ATOM 1008 CA ALA A 67 -7.885 2.739 -7.303 1.00 1.00 C ATOM 1009 C ALA A 67 -6.476 2.216 -7.673 1.00 1.00 C ATOM 1010 O ALA A 67 -6.294 1.619 -8.737 1.00 1.00 O ATOM 1011 CB ALA A 67 -8.081 4.189 -7.766 1.00 1.00 C ATOM 0 H ALA A 67 -8.087 3.575 -5.395 1.00 1.00 H new ATOM 0 HA ALA A 67 -8.592 2.089 -7.818 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -7.894 4.257 -8.838 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -9.103 4.503 -7.555 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -7.385 4.838 -7.234 1.00 1.00 H new ATOM 1017 N ILE A 68 -5.485 2.417 -6.792 1.00 1.00 N ATOM 1018 CA ILE A 68 -4.092 1.950 -6.948 1.00 1.00 C ATOM 1019 C ILE A 68 -3.971 0.428 -6.711 1.00 1.00 C ATOM 1020 O ILE A 68 -3.098 -0.221 -7.294 1.00 1.00 O ATOM 1021 CB ILE A 68 -3.170 2.770 -6.004 1.00 1.00 C ATOM 1022 CG1 ILE A 68 -3.072 4.228 -6.517 1.00 1.00 C ATOM 1023 CG2 ILE A 68 -1.756 2.172 -5.868 1.00 1.00 C ATOM 1024 CD1 ILE A 68 -2.432 5.204 -5.520 1.00 1.00 C ATOM 0 H ILE A 68 -5.632 2.926 -5.920 1.00 1.00 H new ATOM 0 HA ILE A 68 -3.770 2.117 -7.976 1.00 1.00 H new ATOM 0 HB ILE A 68 -3.621 2.740 -5.012 1.00 1.00 H new ATOM 0 HG12 ILE A 68 -2.493 4.238 -7.441 1.00 1.00 H new ATOM 0 HG13 ILE A 68 -4.073 4.583 -6.764 1.00 1.00 H new ATOM 0 HG21 ILE A 68 -1.162 2.791 -5.196 1.00 1.00 H new ATOM 0 HG22 ILE A 68 -1.825 1.162 -5.465 1.00 1.00 H new ATOM 0 HG23 ILE A 68 -1.279 2.139 -6.848 1.00 1.00 H new ATOM 0 HD11 ILE A 68 -2.401 6.202 -5.957 1.00 1.00 H new ATOM 0 HD12 ILE A 68 -3.022 5.227 -4.604 1.00 1.00 H new ATOM 0 HD13 ILE A 68 -1.418 4.877 -5.291 1.00 1.00 H new ATOM 1036 N ASN A 69 -4.837 -0.149 -5.867 1.00 1.00 N ATOM 1037 CA ASN A 69 -4.881 -1.576 -5.522 1.00 1.00 C ATOM 1038 C ASN A 69 -5.007 -2.510 -6.755 1.00 1.00 C ATOM 1039 O ASN A 69 -5.453 -2.097 -7.830 1.00 1.00 O ATOM 1040 CB ASN A 69 -6.025 -1.778 -4.506 1.00 1.00 C ATOM 1041 CG ASN A 69 -6.038 -3.151 -3.850 1.00 1.00 C ATOM 1042 OD1 ASN A 69 -5.019 -3.812 -3.696 1.00 1.00 O ATOM 1043 ND2 ASN A 69 -7.192 -3.633 -3.448 1.00 1.00 N ATOM 0 H ASN A 69 -5.557 0.390 -5.385 1.00 1.00 H new ATOM 0 HA ASN A 69 -3.929 -1.863 -5.076 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -5.946 -1.017 -3.730 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -6.978 -1.620 -5.011 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -7.236 -4.553 -3.010 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -8.044 -3.087 -3.574 1.00 1.00 H new ATOM 1050 N GLN A 70 -4.621 -3.781 -6.587 1.00 1.00 N ATOM 1051 CA GLN A 70 -4.629 -4.828 -7.619 1.00 1.00 C ATOM 1052 C GLN A 70 -5.957 -4.917 -8.402 1.00 1.00 C ATOM 1053 O GLN A 70 -7.041 -4.995 -7.816 1.00 1.00 O ATOM 1054 CB GLN A 70 -4.261 -6.171 -6.963 1.00 1.00 C ATOM 1055 CG GLN A 70 -4.033 -7.290 -7.994 1.00 1.00 C ATOM 1056 CD GLN A 70 -3.555 -8.597 -7.354 1.00 1.00 C ATOM 1057 OE1 GLN A 70 -4.010 -9.021 -6.297 1.00 1.00 O ATOM 1058 NE2 GLN A 70 -2.621 -9.296 -7.964 1.00 1.00 N ATOM 0 H GLN A 70 -4.279 -4.124 -5.689 1.00 1.00 H new ATOM 0 HA GLN A 70 -3.885 -4.564 -8.370 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.359 -6.044 -6.365 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -5.057 -6.468 -6.280 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -4.961 -7.474 -8.535 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -3.297 -6.959 -8.726 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -2.228 -8.963 -8.844 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -2.291 -10.171 -7.556 1.00 1.00 H new ATOM 1067 N GLY A 71 -5.856 -4.917 -9.734 1.00 1.00 N ATOM 1068 CA GLY A 71 -6.984 -4.987 -10.675 1.00 1.00 C ATOM 1069 C GLY A 71 -6.667 -4.461 -12.086 1.00 1.00 C ATOM 1070 O GLY A 71 -7.568 -3.989 -12.782 1.00 1.00 O ATOM 0 H GLY A 71 -4.954 -4.866 -10.207 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -7.314 -6.023 -10.752 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -7.818 -4.417 -10.267 1.00 1.00 H new ATOM 1074 N GLU A 72 -5.395 -4.487 -12.493 1.00 1.00 N ATOM 1075 CA GLU A 72 -4.864 -3.978 -13.763 1.00 1.00 C ATOM 1076 C GLU A 72 -5.601 -4.514 -15.007 1.00 1.00 C ATOM 1077 O GLU A 72 -5.553 -5.707 -15.324 1.00 1.00 O ATOM 1078 CB GLU A 72 -3.353 -4.269 -13.880 1.00 1.00 C ATOM 1079 CG GLU A 72 -2.488 -3.692 -12.745 1.00 1.00 C ATOM 1080 CD GLU A 72 -2.263 -4.704 -11.602 1.00 1.00 C ATOM 1081 OE1 GLU A 72 -3.209 -4.948 -10.814 1.00 1.00 O ATOM 1082 OE2 GLU A 72 -1.145 -5.262 -11.489 1.00 1.00 O ATOM 0 H GLU A 72 -4.662 -4.889 -11.909 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.034 -2.902 -13.742 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -3.208 -5.349 -13.913 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -2.994 -3.870 -14.829 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -1.523 -3.384 -13.148 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -2.967 -2.798 -12.346 1.00 1.00 H new ATOM 1089 N ASP A 73 -6.276 -3.615 -15.724 1.00 1.00 N ATOM 1090 CA ASP A 73 -6.997 -3.903 -16.972 1.00 1.00 C ATOM 1091 C ASP A 73 -6.032 -4.098 -18.167 1.00 1.00 C ATOM 1092 O ASP A 73 -4.876 -3.662 -18.127 1.00 1.00 O ATOM 1093 CB ASP A 73 -7.979 -2.749 -17.231 1.00 1.00 C ATOM 1094 CG ASP A 73 -8.930 -3.051 -18.396 1.00 1.00 C ATOM 1095 OD1 ASP A 73 -9.880 -3.847 -18.208 1.00 1.00 O ATOM 1096 OD2 ASP A 73 -8.702 -2.518 -19.506 1.00 1.00 O ATOM 0 H ASP A 73 -6.340 -2.635 -15.447 1.00 1.00 H new ATOM 0 HA ASP A 73 -7.541 -4.842 -16.868 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -8.561 -2.559 -16.329 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -7.419 -1.839 -17.447 1.00 1.00 H new ATOM 1101 N SER A 74 -6.493 -4.732 -19.251 1.00 1.00 N ATOM 1102 CA SER A 74 -5.701 -4.953 -20.473 1.00 1.00 C ATOM 1103 C SER A 74 -5.498 -3.691 -21.331 1.00 1.00 C ATOM 1104 O SER A 74 -4.530 -3.627 -22.094 1.00 1.00 O ATOM 1105 CB SER A 74 -6.343 -6.057 -21.322 1.00 1.00 C ATOM 1106 OG SER A 74 -7.688 -5.737 -21.648 1.00 1.00 O ATOM 0 H SER A 74 -7.438 -5.112 -19.308 1.00 1.00 H new ATOM 0 HA SER A 74 -4.709 -5.254 -20.135 1.00 1.00 H new ATOM 0 HB2 SER A 74 -5.768 -6.197 -22.237 1.00 1.00 H new ATOM 0 HB3 SER A 74 -6.312 -7.001 -20.779 1.00 1.00 H new ATOM 0 HG SER A 74 -8.073 -6.456 -22.191 1.00 1.00 H new ATOM 1112 N VAL A 75 -6.373 -2.682 -21.218 1.00 1.00 N ATOM 1113 CA VAL A 75 -6.313 -1.409 -21.966 1.00 1.00 C ATOM 1114 C VAL A 75 -6.914 -0.232 -21.152 1.00 1.00 C ATOM 1115 O VAL A 75 -7.957 0.324 -21.504 1.00 1.00 O ATOM 1116 CB VAL A 75 -6.875 -1.592 -23.398 1.00 1.00 C ATOM 1117 CG1 VAL A 75 -8.345 -2.033 -23.488 1.00 1.00 C ATOM 1118 CG2 VAL A 75 -6.635 -0.361 -24.281 1.00 1.00 C ATOM 0 H VAL A 75 -7.170 -2.727 -20.583 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.272 -1.118 -22.106 1.00 1.00 H new ATOM 0 HB VAL A 75 -6.296 -2.432 -23.782 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.632 -2.130 -24.535 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -8.468 -2.994 -22.988 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.978 -1.289 -23.005 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -7.047 -0.540 -25.274 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -7.123 0.506 -23.836 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.564 -0.174 -24.361 1.00 1.00 H new ATOM 1128 N PRO A 76 -6.265 0.180 -20.039 1.00 1.00 N ATOM 1129 CA PRO A 76 -6.729 1.270 -19.164 1.00 1.00 C ATOM 1130 C PRO A 76 -6.539 2.693 -19.740 1.00 1.00 C ATOM 1131 O PRO A 76 -6.822 3.678 -19.052 1.00 1.00 O ATOM 1132 CB PRO A 76 -5.935 1.082 -17.863 1.00 1.00 C ATOM 1133 CG PRO A 76 -4.605 0.515 -18.350 1.00 1.00 C ATOM 1134 CD PRO A 76 -5.026 -0.381 -19.512 1.00 1.00 C ATOM 0 HA PRO A 76 -7.809 1.205 -19.029 1.00 1.00 H new ATOM 0 HB2 PRO A 76 -5.801 2.025 -17.332 1.00 1.00 H new ATOM 0 HB3 PRO A 76 -6.438 0.399 -17.178 1.00 1.00 H new ATOM 0 HG2 PRO A 76 -3.923 1.302 -18.672 1.00 1.00 H new ATOM 0 HG3 PRO A 76 -4.095 -0.048 -17.569 1.00 1.00 H new ATOM 0 HD2 PRO A 76 -4.254 -0.407 -20.281 1.00 1.00 H new ATOM 0 HD3 PRO A 76 -5.177 -1.407 -19.176 1.00 1.00 H new ATOM 1142 N ALA A 77 -6.048 2.826 -20.979 1.00 1.00 N ATOM 1143 CA ALA A 77 -5.805 4.100 -21.664 1.00 1.00 C ATOM 1144 C ALA A 77 -7.068 4.984 -21.822 1.00 1.00 C ATOM 1145 O ALA A 77 -8.205 4.502 -21.765 1.00 1.00 O ATOM 1146 CB ALA A 77 -5.173 3.785 -23.028 1.00 1.00 C ATOM 0 H ALA A 77 -5.800 2.019 -21.552 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.132 4.695 -21.046 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -4.980 4.715 -23.563 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -4.235 3.250 -22.880 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -5.855 3.166 -23.611 1.00 1.00 H new ATOM 1152 N LYS A 78 -6.859 6.289 -22.063 1.00 1.00 N ATOM 1153 CA LYS A 78 -7.914 7.311 -22.249 1.00 1.00 C ATOM 1154 C LYS A 78 -8.950 6.951 -23.329 1.00 1.00 C ATOM 1155 O LYS A 78 -10.127 7.285 -23.184 1.00 1.00 O ATOM 1156 CB LYS A 78 -7.235 8.668 -22.527 1.00 1.00 C ATOM 1157 CG LYS A 78 -8.182 9.881 -22.615 1.00 1.00 C ATOM 1158 CD LYS A 78 -9.049 10.142 -21.370 1.00 1.00 C ATOM 1159 CE LYS A 78 -8.204 10.380 -20.110 1.00 1.00 C ATOM 1160 NZ LYS A 78 -9.056 10.702 -18.935 1.00 1.00 N ATOM 0 H LYS A 78 -5.920 6.680 -22.137 1.00 1.00 H new ATOM 0 HA LYS A 78 -8.497 7.365 -21.330 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -6.505 8.856 -21.740 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -6.682 8.592 -23.464 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -7.585 10.771 -22.813 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -8.841 9.743 -23.472 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -9.684 11.010 -21.548 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -9.710 9.291 -21.206 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -7.609 9.492 -19.897 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -7.505 11.197 -20.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -8.454 10.857 -18.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -9.605 11.563 -19.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -9.706 9.911 -18.750 1.00 1.00 H new ATOM 1174 N LYS A 79 -8.532 6.241 -24.385 1.00 1.00 N ATOM 1175 CA LYS A 79 -9.378 5.738 -25.489 1.00 1.00 C ATOM 1176 C LYS A 79 -10.170 4.490 -25.046 1.00 1.00 C ATOM 1177 O LYS A 79 -9.955 3.384 -25.548 1.00 1.00 O ATOM 1178 CB LYS A 79 -8.497 5.527 -26.737 1.00 1.00 C ATOM 1179 CG LYS A 79 -9.332 5.379 -28.023 1.00 1.00 C ATOM 1180 CD LYS A 79 -8.471 5.139 -29.276 1.00 1.00 C ATOM 1181 CE LYS A 79 -7.509 6.286 -29.631 1.00 1.00 C ATOM 1182 NZ LYS A 79 -8.225 7.522 -30.052 1.00 1.00 N ATOM 0 H LYS A 79 -7.551 5.987 -24.504 1.00 1.00 H new ATOM 0 HA LYS A 79 -10.139 6.470 -25.760 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -7.815 6.370 -26.844 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.884 4.636 -26.600 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -10.029 4.549 -27.904 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.930 6.279 -28.167 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -7.890 4.229 -29.130 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -9.132 4.963 -30.125 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -6.882 6.510 -28.768 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.845 5.964 -30.433 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -7.533 8.264 -30.280 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -8.804 7.319 -30.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -8.839 7.848 -29.279 1.00 1.00 H new ATOM 1196 N PHE A 80 -11.040 4.676 -24.051 1.00 1.00 N ATOM 1197 CA PHE A 80 -11.874 3.650 -23.409 1.00 1.00 C ATOM 1198 C PHE A 80 -12.781 2.882 -24.399 1.00 1.00 C ATOM 1199 O PHE A 80 -13.077 3.367 -25.495 1.00 1.00 O ATOM 1200 CB PHE A 80 -12.663 4.328 -22.277 1.00 1.00 C ATOM 1201 CG PHE A 80 -13.415 3.395 -21.343 1.00 1.00 C ATOM 1202 CD1 PHE A 80 -12.745 2.340 -20.692 1.00 1.00 C ATOM 1203 CD2 PHE A 80 -14.784 3.608 -21.093 1.00 1.00 C ATOM 1204 CE1 PHE A 80 -13.447 1.488 -19.821 1.00 1.00 C ATOM 1205 CE2 PHE A 80 -15.481 2.765 -20.209 1.00 1.00 C ATOM 1206 CZ PHE A 80 -14.816 1.700 -19.580 1.00 1.00 C ATOM 0 H PHE A 80 -11.192 5.600 -23.646 1.00 1.00 H new ATOM 0 HA PHE A 80 -11.230 2.873 -22.997 1.00 1.00 H new ATOM 0 HB2 PHE A 80 -11.970 4.924 -21.683 1.00 1.00 H new ATOM 0 HB3 PHE A 80 -13.378 5.020 -22.722 1.00 1.00 H new ATOM 0 HD1 PHE A 80 -11.690 2.185 -20.862 1.00 1.00 H new ATOM 0 HD2 PHE A 80 -15.300 4.421 -21.581 1.00 1.00 H new ATOM 0 HE1 PHE A 80 -12.934 0.670 -19.337 1.00 1.00 H new ATOM 0 HE2 PHE A 80 -16.529 2.937 -20.014 1.00 1.00 H new ATOM 0 HZ PHE A 80 -15.355 1.045 -18.912 1.00 1.00 H new ATOM 1216 N LYS A 81 -13.196 1.661 -24.024 1.00 1.00 N ATOM 1217 CA LYS A 81 -13.934 0.711 -24.890 1.00 1.00 C ATOM 1218 C LYS A 81 -15.445 0.575 -24.623 1.00 1.00 C ATOM 1219 O LYS A 81 -16.091 -0.269 -25.248 1.00 1.00 O ATOM 1220 CB LYS A 81 -13.239 -0.670 -24.836 1.00 1.00 C ATOM 1221 CG LYS A 81 -11.704 -0.667 -24.984 1.00 1.00 C ATOM 1222 CD LYS A 81 -11.195 0.073 -26.231 1.00 1.00 C ATOM 1223 CE LYS A 81 -9.663 0.069 -26.251 1.00 1.00 C ATOM 1224 NZ LYS A 81 -9.135 1.133 -27.140 1.00 1.00 N ATOM 0 H LYS A 81 -13.026 1.293 -23.088 1.00 1.00 H new ATOM 0 HA LYS A 81 -13.891 1.141 -25.891 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -13.491 -1.143 -23.887 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -13.658 -1.295 -25.625 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -11.265 -0.208 -24.098 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -11.351 -1.698 -25.017 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -11.580 -0.406 -27.131 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -11.565 1.098 -26.232 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.283 0.215 -25.240 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.304 -0.903 -26.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -8.106 1.022 -27.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -9.585 1.059 -28.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -9.344 2.065 -26.728 1.00 1.00 H new ATOM 1238 N ALA A 82 -16.021 1.384 -23.731 1.00 1.00 N ATOM 1239 CA ALA A 82 -17.452 1.359 -23.393 1.00 1.00 C ATOM 1240 C ALA A 82 -18.042 2.771 -23.169 1.00 1.00 C ATOM 1241 O ALA A 82 -17.323 3.774 -23.191 1.00 1.00 O ATOM 1242 CB ALA A 82 -17.646 0.440 -22.175 1.00 1.00 C ATOM 0 H ALA A 82 -15.499 2.090 -23.212 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.010 0.960 -24.240 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -18.702 0.408 -21.908 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -17.303 -0.565 -22.419 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.071 0.825 -21.333 1.00 1.00 H new ATOM 1248 N ALA A 83 -19.361 2.844 -22.960 1.00 1.00 N ATOM 1249 CA ALA A 83 -20.127 4.078 -22.745 1.00 1.00 C ATOM 1250 C ALA A 83 -21.330 3.839 -21.796 1.00 1.00 C ATOM 1251 O ALA A 83 -21.817 2.705 -21.722 1.00 1.00 O ATOM 1252 CB ALA A 83 -20.600 4.569 -24.123 1.00 1.00 C ATOM 0 H ALA A 83 -19.949 2.011 -22.935 1.00 1.00 H new ATOM 0 HA ALA A 83 -19.501 4.830 -22.265 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -21.175 5.487 -24.004 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -19.735 4.762 -24.757 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -21.226 3.806 -24.586 1.00 1.00 H new ATOM 1258 N PRO A 84 -21.840 4.873 -21.090 1.00 1.00 N ATOM 1259 CA PRO A 84 -22.971 4.788 -20.145 1.00 1.00 C ATOM 1260 C PRO A 84 -24.358 4.640 -20.823 1.00 1.00 C ATOM 1261 O PRO A 84 -25.351 5.235 -20.396 1.00 1.00 O ATOM 1262 CB PRO A 84 -22.837 6.056 -19.286 1.00 1.00 C ATOM 1263 CG PRO A 84 -22.294 7.079 -20.278 1.00 1.00 C ATOM 1264 CD PRO A 84 -21.329 6.242 -21.115 1.00 1.00 C ATOM 0 HA PRO A 84 -22.924 3.879 -19.546 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -23.795 6.366 -18.869 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -22.158 5.906 -18.447 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -23.086 7.516 -20.886 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -21.787 7.903 -19.776 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -21.275 6.618 -22.137 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -20.320 6.287 -20.705 1.00 1.00 H new ATOM 1272 N ALA A 85 -24.431 3.855 -21.901 1.00 1.00 N ATOM 1273 CA ALA A 85 -25.626 3.573 -22.703 1.00 1.00 C ATOM 1274 C ALA A 85 -25.682 2.090 -23.146 1.00 1.00 C ATOM 1275 O ALA A 85 -26.318 1.743 -24.144 1.00 1.00 O ATOM 1276 CB ALA A 85 -25.639 4.550 -23.890 1.00 1.00 C ATOM 0 H ALA A 85 -23.608 3.370 -22.259 1.00 1.00 H new ATOM 0 HA ALA A 85 -26.525 3.725 -22.106 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -26.519 4.363 -24.505 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -25.667 5.574 -23.518 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -24.740 4.406 -24.489 1.00 1.00 H new ATOM 1282 N GLU A 86 -25.009 1.196 -22.412 1.00 1.00 N ATOM 1283 CA GLU A 86 -24.921 -0.243 -22.700 1.00 1.00 C ATOM 1284 C GLU A 86 -26.265 -0.994 -22.720 1.00 1.00 C ATOM 1285 O GLU A 86 -26.380 -2.051 -23.340 1.00 1.00 O ATOM 1286 CB GLU A 86 -23.905 -0.926 -21.762 1.00 1.00 C ATOM 1287 CG GLU A 86 -24.257 -0.925 -20.263 1.00 1.00 C ATOM 1288 CD GLU A 86 -23.771 0.342 -19.531 1.00 1.00 C ATOM 1289 OE1 GLU A 86 -24.423 1.406 -19.654 1.00 1.00 O ATOM 1290 OE2 GLU A 86 -22.745 0.273 -18.810 1.00 1.00 O ATOM 0 H GLU A 86 -24.493 1.462 -21.573 1.00 1.00 H new ATOM 0 HA GLU A 86 -24.565 -0.306 -23.728 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -23.782 -1.960 -22.084 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -22.939 -0.436 -21.888 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -25.338 -1.012 -20.149 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -23.815 -1.803 -19.791 1.00 1.00 H new ATOM 1297 N ILE A 87 -27.295 -0.425 -22.091 1.00 1.00 N ATOM 1298 CA ILE A 87 -28.669 -0.963 -22.049 1.00 1.00 C ATOM 1299 C ILE A 87 -29.266 -1.070 -23.469 1.00 1.00 C ATOM 1300 O ILE A 87 -30.077 -1.957 -23.741 1.00 1.00 O ATOM 1301 CB ILE A 87 -29.544 -0.118 -21.083 1.00 1.00 C ATOM 1302 CG1 ILE A 87 -28.971 -0.198 -19.644 1.00 1.00 C ATOM 1303 CG2 ILE A 87 -31.015 -0.581 -21.087 1.00 1.00 C ATOM 1304 CD1 ILE A 87 -29.653 0.728 -18.628 1.00 1.00 C ATOM 0 H ILE A 87 -27.200 0.452 -21.578 1.00 1.00 H new ATOM 0 HA ILE A 87 -28.646 -1.979 -21.654 1.00 1.00 H new ATOM 0 HB ILE A 87 -29.520 0.914 -21.433 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -29.055 -1.226 -19.291 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -27.908 0.042 -19.677 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -31.592 0.036 -20.398 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -31.425 -0.483 -22.092 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -31.069 -1.623 -20.773 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -29.186 0.603 -17.651 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -29.547 1.764 -18.951 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -30.711 0.476 -18.559 1.00 1.00 H new ATOM 1316 N SER A 88 -28.831 -0.221 -24.408 1.00 1.00 N ATOM 1317 CA SER A 88 -29.252 -0.262 -25.821 1.00 1.00 C ATOM 1318 C SER A 88 -28.750 -1.504 -26.585 1.00 1.00 C ATOM 1319 O SER A 88 -29.190 -1.752 -27.709 1.00 1.00 O ATOM 1320 CB SER A 88 -28.778 1.003 -26.548 1.00 1.00 C ATOM 1321 OG SER A 88 -29.336 2.165 -25.947 1.00 1.00 O ATOM 0 H SER A 88 -28.166 0.527 -24.208 1.00 1.00 H new ATOM 0 HA SER A 88 -30.340 -0.318 -25.808 1.00 1.00 H new ATOM 0 HB2 SER A 88 -27.690 1.059 -26.519 1.00 1.00 H new ATOM 0 HB3 SER A 88 -29.067 0.955 -27.598 1.00 1.00 H new ATOM 0 HG SER A 88 -29.022 2.962 -26.422 1.00 1.00 H new ATOM 1327 N ASP A 89 -27.836 -2.290 -25.999 1.00 1.00 N ATOM 1328 CA ASP A 89 -27.244 -3.505 -26.585 1.00 1.00 C ATOM 1329 C ASP A 89 -26.972 -4.601 -25.518 1.00 1.00 C ATOM 1330 O ASP A 89 -26.093 -5.451 -25.682 1.00 1.00 O ATOM 1331 CB ASP A 89 -25.971 -3.096 -27.354 1.00 1.00 C ATOM 1332 CG ASP A 89 -25.421 -4.209 -28.269 1.00 1.00 C ATOM 1333 OD1 ASP A 89 -26.210 -4.833 -29.021 1.00 1.00 O ATOM 1334 OD2 ASP A 89 -24.183 -4.423 -28.288 1.00 1.00 O ATOM 0 H ASP A 89 -27.473 -2.090 -25.067 1.00 1.00 H new ATOM 0 HA ASP A 89 -27.952 -3.960 -27.278 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -26.188 -2.215 -27.957 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -25.200 -2.810 -26.639 1.00 1.00 H new ATOM 1339 N GLY A 90 -27.711 -4.578 -24.401 1.00 1.00 N ATOM 1340 CA GLY A 90 -27.551 -5.513 -23.280 1.00 1.00 C ATOM 1341 C GLY A 90 -28.681 -5.457 -22.245 1.00 1.00 C ATOM 1342 O GLY A 90 -29.666 -4.733 -22.401 1.00 1.00 O ATOM 0 H GLY A 90 -28.452 -3.894 -24.248 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -27.485 -6.527 -23.675 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -26.605 -5.304 -22.780 1.00 1.00 H new ATOM 1346 N GLU A 91 -28.553 -6.252 -21.183 1.00 1.00 N ATOM 1347 CA GLU A 91 -29.543 -6.353 -20.099 1.00 1.00 C ATOM 1348 C GLU A 91 -29.601 -5.108 -19.187 1.00 1.00 C ATOM 1349 O GLU A 91 -28.616 -4.383 -19.018 1.00 1.00 O ATOM 1350 CB GLU A 91 -29.228 -7.576 -19.218 1.00 1.00 C ATOM 1351 CG GLU A 91 -29.256 -8.911 -19.978 1.00 1.00 C ATOM 1352 CD GLU A 91 -29.037 -10.095 -19.017 1.00 1.00 C ATOM 1353 OE1 GLU A 91 -27.969 -10.159 -18.360 1.00 1.00 O ATOM 1354 OE2 GLU A 91 -29.929 -10.971 -18.908 1.00 1.00 O ATOM 0 H GLU A 91 -27.744 -6.858 -21.045 1.00 1.00 H new ATOM 0 HA GLU A 91 -30.512 -6.446 -20.590 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -28.244 -7.445 -18.769 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -29.948 -7.619 -18.401 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -30.213 -9.024 -20.488 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -28.483 -8.913 -20.746 1.00 1.00 H new ATOM 1361 N ASP A 92 -30.752 -4.908 -18.537 1.00 1.00 N ATOM 1362 CA ASP A 92 -30.965 -3.881 -17.504 1.00 1.00 C ATOM 1363 C ASP A 92 -30.394 -4.372 -16.143 1.00 1.00 C ATOM 1364 O ASP A 92 -29.995 -5.536 -16.036 1.00 1.00 O ATOM 1365 CB ASP A 92 -32.476 -3.576 -17.444 1.00 1.00 C ATOM 1366 CG ASP A 92 -32.854 -2.326 -16.630 1.00 1.00 C ATOM 1367 OD1 ASP A 92 -31.963 -1.511 -16.298 1.00 1.00 O ATOM 1368 OD2 ASP A 92 -34.054 -2.159 -16.306 1.00 1.00 O ATOM 0 H ASP A 92 -31.585 -5.469 -18.717 1.00 1.00 H new ATOM 0 HA ASP A 92 -30.436 -2.959 -17.744 1.00 1.00 H new ATOM 0 HB2 ASP A 92 -32.848 -3.455 -18.461 1.00 1.00 H new ATOM 0 HB3 ASP A 92 -32.989 -4.438 -17.018 1.00 1.00 H new ATOM 1373 N ARG A 93 -30.360 -3.501 -15.115 1.00 1.00 N ATOM 1374 CA ARG A 93 -29.858 -3.701 -13.727 1.00 1.00 C ATOM 1375 C ARG A 93 -29.454 -5.143 -13.370 1.00 1.00 C ATOM 1376 O ARG A 93 -28.257 -5.418 -13.360 1.00 1.00 O ATOM 1377 CB ARG A 93 -30.877 -3.128 -12.720 1.00 1.00 C ATOM 1378 CG ARG A 93 -30.858 -1.591 -12.658 1.00 1.00 C ATOM 1379 CD ARG A 93 -31.859 -1.005 -11.640 1.00 1.00 C ATOM 1380 NE ARG A 93 -33.232 -1.545 -11.765 1.00 1.00 N ATOM 1381 CZ ARG A 93 -34.024 -1.514 -12.823 1.00 1.00 C ATOM 1382 NH1 ARG A 93 -33.735 -0.830 -13.887 1.00 1.00 N ATOM 1383 NH2 ARG A 93 -35.130 -2.199 -12.844 1.00 1.00 N ATOM 0 H ARG A 93 -30.713 -2.552 -15.239 1.00 1.00 H new ATOM 0 HA ARG A 93 -28.919 -3.150 -13.667 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -31.878 -3.463 -12.993 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -30.666 -3.529 -11.729 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -29.853 -1.258 -12.400 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -31.082 -1.192 -13.647 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -31.493 -1.201 -10.632 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -31.893 0.078 -11.762 1.00 1.00 H new ATOM 0 HE ARG A 93 -33.613 -1.996 -10.933 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -32.870 -0.291 -13.927 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -34.373 -0.832 -14.683 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -35.393 -2.767 -12.039 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -35.734 -2.168 -13.666 1.00 1.00 H new ATOM 1397 N SER A 94 -30.440 -6.027 -13.143 1.00 1.00 N ATOM 1398 CA SER A 94 -30.457 -7.490 -12.846 1.00 1.00 C ATOM 1399 C SER A 94 -29.391 -8.144 -11.943 1.00 1.00 C ATOM 1400 O SER A 94 -29.710 -9.058 -11.183 1.00 1.00 O ATOM 1401 CB SER A 94 -30.519 -8.282 -14.161 1.00 1.00 C ATOM 1402 OG SER A 94 -29.321 -8.144 -14.909 1.00 1.00 O ATOM 0 H SER A 94 -31.401 -5.685 -13.165 1.00 1.00 H new ATOM 0 HA SER A 94 -31.345 -7.544 -12.216 1.00 1.00 H new ATOM 0 HB2 SER A 94 -30.694 -9.336 -13.944 1.00 1.00 H new ATOM 0 HB3 SER A 94 -31.363 -7.934 -14.757 1.00 1.00 H new ATOM 0 HG SER A 94 -29.327 -7.285 -15.381 1.00 1.00 H new ATOM 1408 N LYS A 95 -28.135 -7.714 -12.018 1.00 1.00 N ATOM 1409 CA LYS A 95 -26.954 -8.195 -11.283 1.00 1.00 C ATOM 1410 C LYS A 95 -26.238 -7.060 -10.538 1.00 1.00 C ATOM 1411 O LYS A 95 -25.443 -7.320 -9.636 1.00 1.00 O ATOM 1412 CB LYS A 95 -26.035 -8.902 -12.284 1.00 1.00 C ATOM 1413 CG LYS A 95 -26.638 -10.268 -12.655 1.00 1.00 C ATOM 1414 CD LYS A 95 -25.881 -10.960 -13.789 1.00 1.00 C ATOM 1415 CE LYS A 95 -26.040 -10.293 -15.169 1.00 1.00 C ATOM 1416 NZ LYS A 95 -27.447 -10.282 -15.644 1.00 1.00 N ATOM 0 H LYS A 95 -27.888 -6.952 -12.649 1.00 1.00 H new ATOM 0 HA LYS A 95 -27.261 -8.897 -10.508 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -25.914 -8.291 -13.178 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -25.043 -9.035 -11.852 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -26.635 -10.912 -11.776 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -27.679 -10.133 -12.948 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -24.821 -10.990 -13.535 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -26.222 -11.993 -13.858 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -25.671 -9.269 -15.117 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -25.420 -10.819 -15.895 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -27.462 -10.249 -16.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -27.930 -11.143 -15.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -27.935 -9.446 -15.264 1.00 1.00 H new ATOM 1430 N CYS A 96 -26.564 -5.810 -10.864 1.00 1.00 N ATOM 1431 CA CYS A 96 -26.077 -4.589 -10.222 1.00 1.00 C ATOM 1432 C CYS A 96 -27.217 -3.567 -10.041 1.00 1.00 C ATOM 1433 O CYS A 96 -28.270 -3.659 -10.674 1.00 1.00 O ATOM 1434 CB CYS A 96 -24.885 -4.023 -11.012 1.00 1.00 C ATOM 1435 SG CYS A 96 -25.388 -3.459 -12.666 1.00 1.00 S ATOM 0 H CYS A 96 -27.212 -5.611 -11.626 1.00 1.00 H new ATOM 0 HA CYS A 96 -25.720 -4.825 -9.219 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -24.444 -3.192 -10.462 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -24.114 -4.788 -11.106 1.00 1.00 H new ATOM 0 HG CYS A 96 -26.434 -4.127 -13.053 1.00 1.00 H new ATOM 1441 N CYS A 97 -27.012 -2.600 -9.149 1.00 1.00 N ATOM 1442 CA CYS A 97 -27.975 -1.556 -8.804 1.00 1.00 C ATOM 1443 C CYS A 97 -27.241 -0.238 -8.503 1.00 1.00 C ATOM 1444 O CYS A 97 -26.899 0.011 -7.346 1.00 1.00 O ATOM 1445 CB CYS A 97 -28.795 -2.041 -7.598 1.00 1.00 C ATOM 1446 SG CYS A 97 -29.997 -0.861 -6.926 1.00 1.00 S ATOM 0 H CYS A 97 -26.139 -2.519 -8.628 1.00 1.00 H new ATOM 0 HA CYS A 97 -28.650 -1.362 -9.638 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -29.328 -2.947 -7.887 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -28.104 -2.318 -6.802 1.00 1.00 H new ATOM 1451 N PRO A 98 -26.989 0.634 -9.499 1.00 1.00 N ATOM 1452 CA PRO A 98 -26.305 1.914 -9.275 1.00 1.00 C ATOM 1453 C PRO A 98 -27.152 2.907 -8.455 1.00 1.00 C ATOM 1454 O PRO A 98 -26.604 3.816 -7.832 1.00 1.00 O ATOM 1455 CB PRO A 98 -25.970 2.442 -10.674 1.00 1.00 C ATOM 1456 CG PRO A 98 -27.057 1.831 -11.559 1.00 1.00 C ATOM 1457 CD PRO A 98 -27.324 0.474 -10.909 1.00 1.00 C ATOM 0 HA PRO A 98 -25.406 1.782 -8.673 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -25.991 3.531 -10.707 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -24.974 2.133 -10.991 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -27.954 2.450 -11.579 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -26.721 1.723 -12.590 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -28.366 0.180 -11.032 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -26.717 -0.306 -11.369 1.00 1.00 H new ATOM 1465 N VAL A 99 -28.477 2.702 -8.394 1.00 1.00 N ATOM 1466 CA VAL A 99 -29.430 3.483 -7.573 1.00 1.00 C ATOM 1467 C VAL A 99 -29.095 3.377 -6.074 1.00 1.00 C ATOM 1468 O VAL A 99 -29.368 4.303 -5.310 1.00 1.00 O ATOM 1469 CB VAL A 99 -30.876 3.007 -7.857 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -31.939 3.650 -6.958 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -31.266 3.304 -9.312 1.00 1.00 C ATOM 0 H VAL A 99 -28.935 1.965 -8.931 1.00 1.00 H new ATOM 0 HA VAL A 99 -29.346 4.535 -7.847 1.00 1.00 H new ATOM 0 HB VAL A 99 -30.860 1.937 -7.650 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -32.923 3.262 -7.223 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -31.725 3.415 -5.916 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -31.926 4.731 -7.096 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -32.285 2.962 -9.492 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -31.206 4.377 -9.493 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -30.584 2.784 -9.985 1.00 1.00 H new ATOM 1481 N CYS A 100 -28.476 2.267 -5.656 1.00 1.00 N ATOM 1482 CA CYS A 100 -28.081 1.971 -4.270 1.00 1.00 C ATOM 1483 C CYS A 100 -26.593 1.590 -4.098 1.00 1.00 C ATOM 1484 O CYS A 100 -26.114 1.395 -2.980 1.00 1.00 O ATOM 1485 CB CYS A 100 -28.969 0.827 -3.789 1.00 1.00 C ATOM 1486 SG CYS A 100 -30.752 1.172 -3.799 1.00 1.00 S ATOM 0 H CYS A 100 -28.225 1.517 -6.300 1.00 1.00 H new ATOM 0 HA CYS A 100 -28.209 2.879 -3.681 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -28.781 -0.045 -4.415 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -28.673 0.561 -2.774 1.00 1.00 H new ATOM 1491 N ASN A 101 -25.883 1.464 -5.217 1.00 1.00 N ATOM 1492 CA ASN A 101 -24.487 1.051 -5.388 1.00 1.00 C ATOM 1493 C ASN A 101 -24.188 -0.332 -4.764 1.00 1.00 C ATOM 1494 O ASN A 101 -23.317 -0.481 -3.904 1.00 1.00 O ATOM 1495 CB ASN A 101 -23.545 2.195 -4.963 1.00 1.00 C ATOM 1496 CG ASN A 101 -22.092 1.938 -5.341 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -21.778 1.287 -6.330 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -21.153 2.447 -4.575 1.00 1.00 N ATOM 0 H ASN A 101 -26.313 1.669 -6.119 1.00 1.00 H new ATOM 0 HA ASN A 101 -24.290 0.879 -6.446 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -23.877 3.124 -5.427 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -23.615 2.335 -3.884 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -20.171 2.299 -4.806 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -21.407 2.990 -3.750 1.00 1.00 H new ATOM 1505 N MET A 102 -24.943 -1.345 -5.208 1.00 1.00 N ATOM 1506 CA MET A 102 -24.855 -2.748 -4.756 1.00 1.00 C ATOM 1507 C MET A 102 -24.978 -3.755 -5.919 1.00 1.00 C ATOM 1508 O MET A 102 -25.231 -3.372 -7.064 1.00 1.00 O ATOM 1509 CB MET A 102 -25.930 -3.022 -3.684 1.00 1.00 C ATOM 1510 CG MET A 102 -25.693 -2.231 -2.391 1.00 1.00 C ATOM 1511 SD MET A 102 -26.642 -2.805 -0.952 1.00 1.00 S ATOM 1512 CE MET A 102 -28.334 -2.461 -1.500 1.00 1.00 C ATOM 0 H MET A 102 -25.661 -1.209 -5.920 1.00 1.00 H new ATOM 0 HA MET A 102 -23.864 -2.890 -4.324 1.00 1.00 H new ATOM 0 HB2 MET A 102 -26.911 -2.768 -4.086 1.00 1.00 H new ATOM 0 HB3 MET A 102 -25.946 -4.088 -3.455 1.00 1.00 H new ATOM 0 HG2 MET A 102 -24.631 -2.273 -2.147 1.00 1.00 H new ATOM 0 HG3 MET A 102 -25.937 -1.184 -2.574 1.00 1.00 H new ATOM 0 HE1 MET A 102 -28.924 -2.103 -0.656 1.00 1.00 H new ATOM 0 HE2 MET A 102 -28.316 -1.699 -2.279 1.00 1.00 H new ATOM 0 HE3 MET A 102 -28.781 -3.373 -1.895 1.00 1.00 H new ATOM 1522 N THR A 103 -24.806 -5.051 -5.628 1.00 1.00 N ATOM 1523 CA THR A 103 -24.893 -6.172 -6.589 1.00 1.00 C ATOM 1524 C THR A 103 -25.765 -7.329 -6.080 1.00 1.00 C ATOM 1525 O THR A 103 -26.055 -7.423 -4.883 1.00 1.00 O ATOM 1526 CB THR A 103 -23.500 -6.699 -6.987 1.00 1.00 C ATOM 1527 OG1 THR A 103 -22.741 -7.063 -5.851 1.00 1.00 O ATOM 1528 CG2 THR A 103 -22.691 -5.678 -7.788 1.00 1.00 C ATOM 0 H THR A 103 -24.594 -5.366 -4.681 1.00 1.00 H new ATOM 0 HA THR A 103 -25.376 -5.759 -7.474 1.00 1.00 H new ATOM 0 HB THR A 103 -23.688 -7.572 -7.612 1.00 1.00 H new ATOM 0 HG1 THR A 103 -21.864 -7.395 -6.136 1.00 1.00 H new ATOM 0 HG21 THR A 103 -21.719 -6.102 -8.041 1.00 1.00 H new ATOM 0 HG22 THR A 103 -23.227 -5.426 -8.703 1.00 1.00 H new ATOM 0 HG23 THR A 103 -22.549 -4.777 -7.191 1.00 1.00 H new ATOM 1536 N PHE A 104 -26.190 -8.212 -6.992 1.00 1.00 N ATOM 1537 CA PHE A 104 -27.050 -9.374 -6.721 1.00 1.00 C ATOM 1538 C PHE A 104 -26.503 -10.668 -7.342 1.00 1.00 C ATOM 1539 O PHE A 104 -25.917 -10.653 -8.428 1.00 1.00 O ATOM 1540 CB PHE A 104 -28.472 -9.128 -7.258 1.00 1.00 C ATOM 1541 CG PHE A 104 -29.044 -7.744 -7.022 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -29.373 -7.325 -5.719 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -29.251 -6.877 -8.111 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -29.915 -6.044 -5.510 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -29.812 -5.606 -7.906 1.00 1.00 C ATOM 1546 CZ PHE A 104 -30.143 -5.190 -6.604 1.00 1.00 C ATOM 0 H PHE A 104 -25.935 -8.135 -7.977 1.00 1.00 H new ATOM 0 HA PHE A 104 -27.070 -9.498 -5.638 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -28.472 -9.321 -8.331 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -29.142 -9.858 -6.803 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -29.209 -7.986 -4.881 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -28.978 -7.190 -9.108 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -30.156 -5.716 -4.510 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -29.989 -4.950 -8.746 1.00 1.00 H new ATOM 0 HZ PHE A 104 -30.573 -4.212 -6.444 1.00 1.00 H new ATOM 1556 N SER A 105 -26.736 -11.802 -6.677 1.00 1.00 N ATOM 1557 CA SER A 105 -26.348 -13.143 -7.147 1.00 1.00 C ATOM 1558 C SER A 105 -27.301 -13.732 -8.205 1.00 1.00 C ATOM 1559 O SER A 105 -26.946 -14.699 -8.884 1.00 1.00 O ATOM 1560 CB SER A 105 -26.282 -14.095 -5.947 1.00 1.00 C ATOM 1561 OG SER A 105 -27.520 -14.100 -5.247 1.00 1.00 O ATOM 0 H SER A 105 -27.211 -11.818 -5.774 1.00 1.00 H new ATOM 0 HA SER A 105 -25.376 -13.035 -7.628 1.00 1.00 H new ATOM 0 HB2 SER A 105 -26.046 -15.103 -6.288 1.00 1.00 H new ATOM 0 HB3 SER A 105 -25.479 -13.789 -5.276 1.00 1.00 H new ATOM 0 HG SER A 105 -27.462 -14.714 -4.485 1.00 1.00 H new ATOM 1567 N SER A 106 -28.508 -13.171 -8.349 1.00 1.00 N ATOM 1568 CA SER A 106 -29.557 -13.621 -9.277 1.00 1.00 C ATOM 1569 C SER A 106 -30.573 -12.502 -9.570 1.00 1.00 C ATOM 1570 O SER A 106 -30.850 -11.693 -8.677 1.00 1.00 O ATOM 1571 CB SER A 106 -30.288 -14.806 -8.618 1.00 1.00 C ATOM 1572 OG SER A 106 -31.518 -15.116 -9.254 1.00 1.00 O ATOM 0 H SER A 106 -28.793 -12.359 -7.801 1.00 1.00 H new ATOM 0 HA SER A 106 -29.098 -13.908 -10.223 1.00 1.00 H new ATOM 0 HB2 SER A 106 -29.642 -15.683 -8.640 1.00 1.00 H new ATOM 0 HB3 SER A 106 -30.475 -14.574 -7.569 1.00 1.00 H new ATOM 0 HG SER A 106 -31.940 -15.875 -8.799 1.00 1.00 H new ATOM 1578 N PRO A 107 -31.187 -12.456 -10.774 1.00 1.00 N ATOM 1579 CA PRO A 107 -32.231 -11.481 -11.098 1.00 1.00 C ATOM 1580 C PRO A 107 -33.470 -11.619 -10.199 1.00 1.00 C ATOM 1581 O PRO A 107 -34.198 -10.645 -10.014 1.00 1.00 O ATOM 1582 CB PRO A 107 -32.564 -11.699 -12.578 1.00 1.00 C ATOM 1583 CG PRO A 107 -32.174 -13.155 -12.824 1.00 1.00 C ATOM 1584 CD PRO A 107 -30.967 -13.348 -11.908 1.00 1.00 C ATOM 0 HA PRO A 107 -31.879 -10.465 -10.917 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -33.621 -11.528 -12.780 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -32.002 -11.020 -13.219 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -32.985 -13.838 -12.572 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -31.920 -13.334 -13.869 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -30.885 -14.385 -11.581 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -30.039 -13.103 -12.425 1.00 1.00 H new ATOM 1592 N VAL A 108 -33.700 -12.788 -9.584 1.00 1.00 N ATOM 1593 CA VAL A 108 -34.804 -12.998 -8.627 1.00 1.00 C ATOM 1594 C VAL A 108 -34.603 -12.108 -7.390 1.00 1.00 C ATOM 1595 O VAL A 108 -35.553 -11.492 -6.905 1.00 1.00 O ATOM 1596 CB VAL A 108 -34.916 -14.484 -8.225 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -36.076 -14.735 -7.253 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -35.148 -15.375 -9.455 1.00 1.00 C ATOM 0 H VAL A 108 -33.127 -13.618 -9.734 1.00 1.00 H new ATOM 0 HA VAL A 108 -35.740 -12.718 -9.111 1.00 1.00 H new ATOM 0 HB VAL A 108 -33.971 -14.732 -7.741 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -36.115 -15.794 -6.999 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -35.924 -14.150 -6.346 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -37.014 -14.440 -7.722 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -35.223 -16.416 -9.141 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -36.072 -15.078 -9.950 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -34.314 -15.264 -10.147 1.00 1.00 H new ATOM 1608 N VAL A 109 -33.356 -11.975 -6.919 1.00 1.00 N ATOM 1609 CA VAL A 109 -32.991 -11.089 -5.799 1.00 1.00 C ATOM 1610 C VAL A 109 -33.174 -9.624 -6.210 1.00 1.00 C ATOM 1611 O VAL A 109 -33.712 -8.831 -5.436 1.00 1.00 O ATOM 1612 CB VAL A 109 -31.540 -11.342 -5.331 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -31.163 -10.471 -4.127 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -31.329 -12.806 -4.922 1.00 1.00 C ATOM 0 H VAL A 109 -32.562 -12.484 -7.307 1.00 1.00 H new ATOM 0 HA VAL A 109 -33.652 -11.310 -4.961 1.00 1.00 H new ATOM 0 HB VAL A 109 -30.908 -11.089 -6.183 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -30.135 -10.682 -3.833 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -31.254 -9.419 -4.396 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -31.831 -10.692 -3.295 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -30.298 -12.948 -4.598 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -32.004 -13.056 -4.104 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -31.535 -13.455 -5.773 1.00 1.00 H new ATOM 1624 N ALA A 110 -32.781 -9.268 -7.439 1.00 1.00 N ATOM 1625 CA ALA A 110 -32.946 -7.919 -7.980 1.00 1.00 C ATOM 1626 C ALA A 110 -34.431 -7.502 -8.048 1.00 1.00 C ATOM 1627 O ALA A 110 -34.785 -6.409 -7.607 1.00 1.00 O ATOM 1628 CB ALA A 110 -32.271 -7.856 -9.351 1.00 1.00 C ATOM 0 H ALA A 110 -32.336 -9.916 -8.089 1.00 1.00 H new ATOM 0 HA ALA A 110 -32.468 -7.203 -7.311 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -32.386 -6.855 -9.767 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -31.211 -8.086 -9.245 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -32.735 -8.582 -10.019 1.00 1.00 H new ATOM 1634 N GLU A 111 -35.314 -8.385 -8.529 1.00 1.00 N ATOM 1635 CA GLU A 111 -36.765 -8.143 -8.591 1.00 1.00 C ATOM 1636 C GLU A 111 -37.347 -7.853 -7.196 1.00 1.00 C ATOM 1637 O GLU A 111 -38.132 -6.914 -7.039 1.00 1.00 O ATOM 1638 CB GLU A 111 -37.477 -9.357 -9.214 1.00 1.00 C ATOM 1639 CG GLU A 111 -37.338 -9.445 -10.741 1.00 1.00 C ATOM 1640 CD GLU A 111 -38.310 -8.487 -11.459 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -39.517 -8.817 -11.575 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -37.876 -7.407 -11.928 1.00 1.00 O ATOM 0 H GLU A 111 -35.041 -9.299 -8.891 1.00 1.00 H new ATOM 0 HA GLU A 111 -36.931 -7.265 -9.215 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -37.076 -10.268 -8.770 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -38.536 -9.316 -8.957 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -36.314 -9.206 -11.027 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -37.529 -10.468 -11.065 1.00 1.00 H new ATOM 1649 N SER A 112 -36.935 -8.611 -6.171 1.00 1.00 N ATOM 1650 CA SER A 112 -37.346 -8.373 -4.779 1.00 1.00 C ATOM 1651 C SER A 112 -36.760 -7.064 -4.228 1.00 1.00 C ATOM 1652 O SER A 112 -37.436 -6.348 -3.488 1.00 1.00 O ATOM 1653 CB SER A 112 -36.911 -9.534 -3.874 1.00 1.00 C ATOM 1654 OG SER A 112 -37.554 -10.744 -4.245 1.00 1.00 O ATOM 0 H SER A 112 -36.307 -9.407 -6.283 1.00 1.00 H new ATOM 0 HA SER A 112 -38.433 -8.297 -4.781 1.00 1.00 H new ATOM 0 HB2 SER A 112 -35.830 -9.660 -3.935 1.00 1.00 H new ATOM 0 HB3 SER A 112 -37.147 -9.297 -2.836 1.00 1.00 H new ATOM 0 HG SER A 112 -37.257 -11.467 -3.653 1.00 1.00 H new ATOM 1660 N HIS A 113 -35.521 -6.718 -4.593 1.00 1.00 N ATOM 1661 CA HIS A 113 -34.871 -5.480 -4.162 1.00 1.00 C ATOM 1662 C HIS A 113 -35.592 -4.226 -4.688 1.00 1.00 C ATOM 1663 O HIS A 113 -35.787 -3.281 -3.924 1.00 1.00 O ATOM 1664 CB HIS A 113 -33.396 -5.490 -4.587 1.00 1.00 C ATOM 1665 CG HIS A 113 -32.652 -4.262 -4.129 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -32.094 -4.062 -2.887 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -32.443 -3.120 -4.855 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -31.562 -2.828 -2.865 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -31.739 -2.218 -4.049 1.00 1.00 N ATOM 0 H HIS A 113 -34.939 -7.295 -5.200 1.00 1.00 H new ATOM 0 HA HIS A 113 -34.928 -5.435 -3.074 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -32.911 -6.377 -4.180 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -33.335 -5.563 -5.673 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -32.086 -4.732 -2.118 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -32.765 -2.946 -5.871 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -31.062 -2.388 -2.015 1.00 1.00 H new ATOM 1677 N TYR A 114 -36.024 -4.210 -5.957 1.00 1.00 N ATOM 1678 CA TYR A 114 -36.720 -3.060 -6.564 1.00 1.00 C ATOM 1679 C TYR A 114 -37.994 -2.616 -5.817 1.00 1.00 C ATOM 1680 O TYR A 114 -38.380 -1.449 -5.911 1.00 1.00 O ATOM 1681 CB TYR A 114 -37.083 -3.343 -8.032 1.00 1.00 C ATOM 1682 CG TYR A 114 -35.983 -3.809 -8.972 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -34.635 -3.417 -8.810 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -36.338 -4.652 -10.043 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -33.645 -3.917 -9.681 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -35.357 -5.145 -10.917 1.00 1.00 C ATOM 1687 CZ TYR A 114 -34.006 -4.795 -10.730 1.00 1.00 C ATOM 1688 OH TYR A 114 -33.069 -5.280 -11.586 1.00 1.00 O ATOM 0 H TYR A 114 -35.901 -4.996 -6.596 1.00 1.00 H new ATOM 0 HA TYR A 114 -36.004 -2.241 -6.493 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -37.869 -4.099 -8.040 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -37.512 -2.432 -8.449 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -34.363 -2.734 -8.019 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -37.373 -4.921 -10.193 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -32.612 -3.630 -9.547 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -35.638 -5.793 -11.734 1.00 1.00 H new ATOM 0 HH TYR A 114 -33.498 -5.868 -12.242 1.00 1.00 H new ATOM 1698 N ILE A 115 -38.638 -3.524 -5.067 1.00 1.00 N ATOM 1699 CA ILE A 115 -39.857 -3.253 -4.279 1.00 1.00 C ATOM 1700 C ILE A 115 -39.585 -3.136 -2.767 1.00 1.00 C ATOM 1701 O ILE A 115 -40.515 -2.929 -1.985 1.00 1.00 O ATOM 1702 CB ILE A 115 -40.996 -4.243 -4.639 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -40.700 -5.744 -4.419 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -41.391 -4.037 -6.113 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -40.669 -6.187 -2.951 1.00 1.00 C ATOM 0 H ILE A 115 -38.321 -4.490 -4.988 1.00 1.00 H new ATOM 0 HA ILE A 115 -40.213 -2.263 -4.565 1.00 1.00 H new ATOM 0 HB ILE A 115 -41.798 -4.004 -3.940 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -41.455 -6.329 -4.944 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -39.739 -5.981 -4.875 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -42.191 -4.729 -6.375 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -41.735 -3.013 -6.258 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -40.527 -4.223 -6.751 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -40.454 -7.254 -2.897 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -39.894 -5.634 -2.420 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -41.637 -5.988 -2.490 1.00 1.00 H new ATOM 1717 N GLY A 116 -38.317 -3.221 -2.347 1.00 1.00 N ATOM 1718 CA GLY A 116 -37.895 -3.052 -0.954 1.00 1.00 C ATOM 1719 C GLY A 116 -37.746 -1.568 -0.604 1.00 1.00 C ATOM 1720 O GLY A 116 -37.302 -0.766 -1.430 1.00 1.00 O ATOM 0 H GLY A 116 -37.541 -3.413 -2.980 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -38.625 -3.515 -0.290 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -36.947 -3.565 -0.792 1.00 1.00 H new ATOM 1724 N LYS A 117 -38.117 -1.180 0.623 1.00 1.00 N ATOM 1725 CA LYS A 117 -38.100 0.221 1.090 1.00 1.00 C ATOM 1726 C LYS A 117 -36.765 0.943 0.863 1.00 1.00 C ATOM 1727 O LYS A 117 -36.773 2.114 0.492 1.00 1.00 O ATOM 1728 CB LYS A 117 -38.543 0.265 2.566 1.00 1.00 C ATOM 1729 CG LYS A 117 -38.735 1.678 3.152 1.00 1.00 C ATOM 1730 CD LYS A 117 -39.799 2.548 2.461 1.00 1.00 C ATOM 1731 CE LYS A 117 -41.197 1.915 2.539 1.00 1.00 C ATOM 1732 NZ LYS A 117 -42.246 2.827 2.012 1.00 1.00 N ATOM 0 H LYS A 117 -38.443 -1.836 1.333 1.00 1.00 H new ATOM 0 HA LYS A 117 -38.809 0.779 0.478 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -39.481 -0.282 2.664 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -37.802 -0.263 3.167 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -38.999 1.582 4.205 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -37.780 2.202 3.109 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -39.820 3.533 2.927 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -39.525 2.695 1.416 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -41.207 0.984 1.972 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -41.423 1.660 3.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -43.175 2.365 2.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -42.254 3.705 2.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -42.044 3.050 1.016 1.00 1.00 H new ATOM 1746 N THR A 118 -35.631 0.263 1.035 1.00 1.00 N ATOM 1747 CA THR A 118 -34.285 0.829 0.800 1.00 1.00 C ATOM 1748 C THR A 118 -34.130 1.348 -0.634 1.00 1.00 C ATOM 1749 O THR A 118 -33.649 2.461 -0.844 1.00 1.00 O ATOM 1750 CB THR A 118 -33.197 -0.217 1.102 1.00 1.00 C ATOM 1751 OG1 THR A 118 -33.403 -0.741 2.398 1.00 1.00 O ATOM 1752 CG2 THR A 118 -31.782 0.363 1.064 1.00 1.00 C ATOM 0 H THR A 118 -35.612 -0.709 1.345 1.00 1.00 H new ATOM 0 HA THR A 118 -34.166 1.674 1.478 1.00 1.00 H new ATOM 0 HB THR A 118 -33.277 -0.981 0.329 1.00 1.00 H new ATOM 0 HG1 THR A 118 -32.713 -1.409 2.594 1.00 1.00 H new ATOM 0 HG21 THR A 118 -31.060 -0.423 1.285 1.00 1.00 H new ATOM 0 HG22 THR A 118 -31.582 0.771 0.073 1.00 1.00 H new ATOM 0 HG23 THR A 118 -31.694 1.156 1.807 1.00 1.00 H new ATOM 1760 N HIS A 119 -34.598 0.583 -1.627 1.00 1.00 N ATOM 1761 CA HIS A 119 -34.577 0.994 -3.034 1.00 1.00 C ATOM 1762 C HIS A 119 -35.575 2.125 -3.294 1.00 1.00 C ATOM 1763 O HIS A 119 -35.233 3.098 -3.961 1.00 1.00 O ATOM 1764 CB HIS A 119 -34.880 -0.213 -3.927 1.00 1.00 C ATOM 1765 CG HIS A 119 -34.602 0.037 -5.389 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -33.350 -0.068 -6.001 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -35.530 0.357 -6.337 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -33.558 0.164 -7.308 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -34.857 0.427 -7.537 1.00 1.00 N ATOM 0 H HIS A 119 -35.003 -0.341 -1.476 1.00 1.00 H new ATOM 0 HA HIS A 119 -33.583 1.373 -3.272 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -34.284 -1.062 -3.592 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -35.927 -0.491 -3.806 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -36.585 0.523 -6.178 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -32.790 0.142 -8.067 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -35.272 0.641 -8.444 1.00 1.00 H new ATOM 1777 N ILE A 120 -36.788 2.031 -2.730 1.00 1.00 N ATOM 1778 CA ILE A 120 -37.857 3.037 -2.881 1.00 1.00 C ATOM 1779 C ILE A 120 -37.414 4.414 -2.359 1.00 1.00 C ATOM 1780 O ILE A 120 -37.599 5.415 -3.053 1.00 1.00 O ATOM 1781 CB ILE A 120 -39.177 2.542 -2.247 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -39.645 1.273 -3.003 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -40.265 3.633 -2.293 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -40.930 0.629 -2.469 1.00 1.00 C ATOM 0 H ILE A 120 -37.061 1.241 -2.145 1.00 1.00 H new ATOM 0 HA ILE A 120 -38.055 3.170 -3.945 1.00 1.00 H new ATOM 0 HB ILE A 120 -39.003 2.306 -1.197 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -39.795 1.530 -4.052 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -38.845 0.533 -2.967 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -41.181 3.253 -1.839 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -39.924 4.510 -1.743 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -40.461 3.908 -3.329 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -41.171 -0.251 -3.066 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -40.784 0.334 -1.430 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -41.749 1.345 -2.531 1.00 1.00 H new ATOM 1796 N LYS A 121 -36.766 4.482 -1.186 1.00 1.00 N ATOM 1797 CA LYS A 121 -36.203 5.736 -0.646 1.00 1.00 C ATOM 1798 C LYS A 121 -35.154 6.326 -1.594 1.00 1.00 C ATOM 1799 O LYS A 121 -35.118 7.538 -1.808 1.00 1.00 O ATOM 1800 CB LYS A 121 -35.594 5.492 0.745 1.00 1.00 C ATOM 1801 CG LYS A 121 -36.671 5.249 1.818 1.00 1.00 C ATOM 1802 CD LYS A 121 -36.084 5.039 3.223 1.00 1.00 C ATOM 1803 CE LYS A 121 -35.167 3.809 3.308 1.00 1.00 C ATOM 1804 NZ LYS A 121 -34.688 3.579 4.698 1.00 1.00 N ATOM 0 H LYS A 121 -36.616 3.673 -0.584 1.00 1.00 H new ATOM 0 HA LYS A 121 -37.014 6.458 -0.553 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -34.927 4.631 0.701 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -34.987 6.352 1.030 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -37.353 6.099 1.839 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -37.260 4.374 1.542 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -35.522 5.926 3.513 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -36.898 4.930 3.939 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -35.705 2.928 2.957 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -34.312 3.945 2.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -34.072 2.741 4.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -34.154 4.410 5.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -35.503 3.425 5.325 1.00 1.00 H new ATOM 1818 N ASN A 122 -34.330 5.471 -2.206 1.00 1.00 N ATOM 1819 CA ASN A 122 -33.322 5.894 -3.173 1.00 1.00 C ATOM 1820 C ASN A 122 -33.924 6.378 -4.509 1.00 1.00 C ATOM 1821 O ASN A 122 -33.290 7.202 -5.165 1.00 1.00 O ATOM 1822 CB ASN A 122 -32.256 4.802 -3.347 1.00 1.00 C ATOM 1823 CG ASN A 122 -31.228 4.814 -2.221 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -31.528 4.974 -1.047 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -29.962 4.692 -2.547 1.00 1.00 N ATOM 0 H ASN A 122 -34.346 4.464 -2.042 1.00 1.00 H new ATOM 0 HA ASN A 122 -32.826 6.776 -2.767 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -32.741 3.826 -3.383 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -31.748 4.941 -4.301 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -29.243 4.731 -1.824 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -29.697 4.558 -3.523 1.00 1.00 H new ATOM 1832 N LEU A 123 -35.142 5.964 -4.903 1.00 1.00 N ATOM 1833 CA LEU A 123 -35.803 6.495 -6.113 1.00 1.00 C ATOM 1834 C LEU A 123 -35.949 8.022 -5.988 1.00 1.00 C ATOM 1835 O LEU A 123 -35.528 8.766 -6.877 1.00 1.00 O ATOM 1836 CB LEU A 123 -37.198 5.875 -6.346 1.00 1.00 C ATOM 1837 CG LEU A 123 -37.277 4.346 -6.477 1.00 1.00 C ATOM 1838 CD1 LEU A 123 -38.736 3.916 -6.642 1.00 1.00 C ATOM 1839 CD2 LEU A 123 -36.481 3.790 -7.652 1.00 1.00 C ATOM 0 H LEU A 123 -35.690 5.264 -4.403 1.00 1.00 H new ATOM 0 HA LEU A 123 -35.176 6.232 -6.965 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -37.843 6.177 -5.521 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -37.615 6.313 -7.253 1.00 1.00 H new ATOM 0 HG LEU A 123 -36.839 3.944 -5.563 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -38.787 2.831 -6.735 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -39.310 4.233 -5.771 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -39.152 4.377 -7.538 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -36.584 2.705 -7.681 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -36.860 4.215 -8.582 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -35.429 4.052 -7.535 1.00 1.00 H new ATOM 1851 N ARG A 124 -36.491 8.483 -4.848 1.00 1.00 N ATOM 1852 CA ARG A 124 -36.666 9.894 -4.498 1.00 1.00 C ATOM 1853 C ARG A 124 -35.326 10.638 -4.428 1.00 1.00 C ATOM 1854 O ARG A 124 -35.227 11.772 -4.896 1.00 1.00 O ATOM 1855 CB ARG A 124 -37.436 9.952 -3.166 1.00 1.00 C ATOM 1856 CG ARG A 124 -37.905 11.377 -2.889 1.00 1.00 C ATOM 1857 CD ARG A 124 -38.687 11.514 -1.580 1.00 1.00 C ATOM 1858 NE ARG A 124 -39.027 12.929 -1.348 1.00 1.00 N ATOM 1859 CZ ARG A 124 -39.789 13.437 -0.400 1.00 1.00 C ATOM 1860 NH1 ARG A 124 -40.376 12.696 0.498 1.00 1.00 N ATOM 1861 NH2 ARG A 124 -39.969 14.724 -0.348 1.00 1.00 N ATOM 0 H ARG A 124 -36.831 7.855 -4.120 1.00 1.00 H new ATOM 0 HA ARG A 124 -37.236 10.404 -5.275 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -38.294 9.280 -3.204 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -36.797 9.607 -2.353 1.00 1.00 H new ATOM 0 HG2 ARG A 124 -37.038 12.037 -2.857 1.00 1.00 H new ATOM 0 HG3 ARG A 124 -38.532 11.713 -3.715 1.00 1.00 H new ATOM 0 HD2 ARG A 124 -39.596 10.914 -1.624 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -38.094 11.132 -0.749 1.00 1.00 H new ATOM 0 HE ARG A 124 -38.622 13.599 -2.002 1.00 1.00 H new ATOM 0 HH11 ARG A 124 -40.253 11.684 0.483 1.00 1.00 H new ATOM 0 HH12 ARG A 124 -40.958 13.129 1.215 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -39.522 15.330 -1.037 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -40.557 15.128 0.381 1.00 1.00 H new ATOM 1875 N LEU A 125 -34.294 9.994 -3.873 1.00 1.00 N ATOM 1876 CA LEU A 125 -32.937 10.551 -3.781 1.00 1.00 C ATOM 1877 C LEU A 125 -32.331 10.818 -5.174 1.00 1.00 C ATOM 1878 O LEU A 125 -31.698 11.857 -5.378 1.00 1.00 O ATOM 1879 CB LEU A 125 -32.062 9.592 -2.952 1.00 1.00 C ATOM 1880 CG LEU A 125 -30.641 10.099 -2.639 1.00 1.00 C ATOM 1881 CD1 LEU A 125 -30.644 11.363 -1.777 1.00 1.00 C ATOM 1882 CD2 LEU A 125 -29.873 9.010 -1.890 1.00 1.00 C ATOM 0 H LEU A 125 -34.377 9.061 -3.470 1.00 1.00 H new ATOM 0 HA LEU A 125 -32.981 11.519 -3.282 1.00 1.00 H new ATOM 0 HB2 LEU A 125 -32.571 9.384 -2.011 1.00 1.00 H new ATOM 0 HB3 LEU A 125 -31.982 8.646 -3.487 1.00 1.00 H new ATOM 0 HG LEU A 125 -30.169 10.340 -3.591 1.00 1.00 H new ATOM 0 HD11 LEU A 125 -29.617 11.676 -1.587 1.00 1.00 H new ATOM 0 HD12 LEU A 125 -31.175 12.158 -2.300 1.00 1.00 H new ATOM 0 HD13 LEU A 125 -31.141 11.156 -0.829 1.00 1.00 H new ATOM 0 HD21 LEU A 125 -28.866 9.363 -1.666 1.00 1.00 H new ATOM 0 HD22 LEU A 125 -30.390 8.774 -0.960 1.00 1.00 H new ATOM 0 HD23 LEU A 125 -29.814 8.115 -2.509 1.00 1.00 H new ATOM 1894 N ARG A 126 -32.537 9.903 -6.136 1.00 1.00 N ATOM 1895 CA ARG A 126 -32.063 10.040 -7.526 1.00 1.00 C ATOM 1896 C ARG A 126 -32.868 11.075 -8.322 1.00 1.00 C ATOM 1897 O ARG A 126 -32.273 11.853 -9.068 1.00 1.00 O ATOM 1898 CB ARG A 126 -32.103 8.674 -8.242 1.00 1.00 C ATOM 1899 CG ARG A 126 -31.094 7.631 -7.720 1.00 1.00 C ATOM 1900 CD ARG A 126 -29.617 8.025 -7.846 1.00 1.00 C ATOM 1901 NE ARG A 126 -29.209 8.234 -9.251 1.00 1.00 N ATOM 1902 CZ ARG A 126 -28.042 8.689 -9.675 1.00 1.00 C ATOM 1903 NH1 ARG A 126 -27.080 9.002 -8.854 1.00 1.00 N ATOM 1904 NH2 ARG A 126 -27.817 8.838 -10.949 1.00 1.00 N ATOM 0 H ARG A 126 -33.045 9.034 -5.969 1.00 1.00 H new ATOM 0 HA ARG A 126 -31.035 10.398 -7.478 1.00 1.00 H new ATOM 0 HB2 ARG A 126 -33.108 8.262 -8.149 1.00 1.00 H new ATOM 0 HB3 ARG A 126 -31.920 8.833 -9.305 1.00 1.00 H new ATOM 0 HG2 ARG A 126 -31.312 7.433 -6.670 1.00 1.00 H new ATOM 0 HG3 ARG A 126 -31.251 6.697 -8.259 1.00 1.00 H new ATOM 0 HD2 ARG A 126 -29.437 8.938 -7.278 1.00 1.00 H new ATOM 0 HD3 ARG A 126 -28.997 7.246 -7.402 1.00 1.00 H new ATOM 0 HE ARG A 126 -29.898 8.004 -9.967 1.00 1.00 H new ATOM 0 HH11 ARG A 126 -27.214 8.899 -7.848 1.00 1.00 H new ATOM 0 HH12 ARG A 126 -26.193 9.350 -9.217 1.00 1.00 H new ATOM 0 HH21 ARG A 126 -28.543 8.603 -11.626 1.00 1.00 H new ATOM 0 HH22 ARG A 126 -26.915 9.189 -11.270 1.00 1.00 H new ATOM 1918 N GLU A 127 -34.196 11.106 -8.174 1.00 1.00 N ATOM 1919 CA GLU A 127 -35.086 12.047 -8.873 1.00 1.00 C ATOM 1920 C GLU A 127 -36.417 12.276 -8.123 1.00 1.00 C ATOM 1921 O GLU A 127 -37.095 11.326 -7.726 1.00 1.00 O ATOM 1922 CB GLU A 127 -35.364 11.511 -10.293 1.00 1.00 C ATOM 1923 CG GLU A 127 -36.141 12.507 -11.164 1.00 1.00 C ATOM 1924 CD GLU A 127 -36.287 11.983 -12.606 1.00 1.00 C ATOM 1925 OE1 GLU A 127 -37.268 11.254 -12.897 1.00 1.00 O ATOM 1926 OE2 GLU A 127 -35.429 12.305 -13.465 1.00 1.00 O ATOM 0 H GLU A 127 -34.695 10.467 -7.554 1.00 1.00 H new ATOM 0 HA GLU A 127 -34.583 13.013 -8.919 1.00 1.00 H new ATOM 0 HB2 GLU A 127 -34.417 11.273 -10.778 1.00 1.00 H new ATOM 0 HB3 GLU A 127 -35.928 10.581 -10.221 1.00 1.00 H new ATOM 0 HG2 GLU A 127 -37.128 12.679 -10.734 1.00 1.00 H new ATOM 0 HG3 GLU A 127 -35.625 13.467 -11.173 1.00 1.00 H new ATOM 1933 N GLN A 128 -36.816 13.545 -7.969 1.00 1.00 N ATOM 1934 CA GLN A 128 -38.077 13.961 -7.332 1.00 1.00 C ATOM 1935 C GLN A 128 -38.578 15.320 -7.855 1.00 1.00 C ATOM 1936 O GLN A 128 -37.789 16.176 -8.282 1.00 1.00 O ATOM 1937 CB GLN A 128 -37.940 13.966 -5.797 1.00 1.00 C ATOM 1938 CG GLN A 128 -36.870 14.921 -5.235 1.00 1.00 C ATOM 1939 CD GLN A 128 -36.793 14.871 -3.708 1.00 1.00 C ATOM 1940 OE1 GLN A 128 -37.790 14.915 -2.996 1.00 1.00 O ATOM 1941 NE2 GLN A 128 -35.614 14.767 -3.133 1.00 1.00 N ATOM 0 H GLN A 128 -36.257 14.334 -8.292 1.00 1.00 H new ATOM 0 HA GLN A 128 -38.833 13.225 -7.605 1.00 1.00 H new ATOM 0 HB2 GLN A 128 -38.904 14.232 -5.363 1.00 1.00 H new ATOM 0 HB3 GLN A 128 -37.710 12.953 -5.466 1.00 1.00 H new ATOM 0 HG2 GLN A 128 -35.898 14.662 -5.654 1.00 1.00 H new ATOM 0 HG3 GLN A 128 -37.092 15.940 -5.552 1.00 1.00 H new ATOM 0 HE21 GLN A 128 -34.770 14.729 -3.704 1.00 1.00 H new ATOM 0 HE22 GLN A 128 -35.544 14.725 -2.116 1.00 1.00 H new TER 1950 GLN A 128 HETATM 1951 ZN ZN A 129 -5.513 6.745 7.074 1.00 1.00 ZN HETATM 1952 ZN ZN A 130 -31.473 -0.501 -5.200 1.00 1.00 ZN