USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1137 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 128 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 113 SER OG : rot 180:sc= -0.225 USER MOD Set 2.2: A 117 GLN : amide:sc= -2.59 K(o=-2.8,f=-1.5) USER MOD Set 3.1: A 92 SER OG : rot -141:sc= -1.09 USER MOD Set 3.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 93 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.6!) USER MOD Set 5.1: A 3 ASN : amide:sc= -2.09 K(o=-5.3,f=-2.5) USER MOD Set 5.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 63 ASN : amide:sc= -3.23 K(o=-5.3,f=-2.5) USER MOD Set 6.1: A 21 MET CE :methyl -153:sc= -4.55! (180deg=-7.28!) USER MOD Set 6.2: A 28 CYS SG : rot 71:sc= 0.0166 USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0098 (180deg=-0.145) USER MOD Single : A 6 HIS : no HD1:sc= -0.893 K(o=-0.89,f=-0.17) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1.4) USER MOD Single : A 15 HIS : no HD1:sc= -6.98! C(o=-7!,f=-8.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -31:sc= -2.26 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0168 USER MOD Single : A 24 CYS SG : rot -90:sc= -4.4! USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0843) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0.227 (180deg=0.153) USER MOD Single : A 27 GLN : amide:sc= -2.53 K(o=-2.5,f=-12!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0.104 (180deg=0.0923) USER MOD Single : A 44 MET CE :methyl 137:sc= -1.17 (180deg=-4.4!) USER MOD Single : A 46 GLN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 55 SER OG : rot -140:sc= -0.252 USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.0417 (180deg=-0.409) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 156:sc= -5.55 (180deg=-8.65!) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= -0.0561 (180deg=-0.0593) USER MOD Single : A 73 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.47) USER MOD Single : A 80 SER OG : rot -107:sc= 1.14 USER MOD Single : A 81 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 1.23 K(o=1.2,f=-0.94) USER MOD Single : A 86 CYS SG : rot -78:sc= 1.14 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 104 LYS NZ :NH3+ -147:sc= -0.358 (180deg=-1.56) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -2.47! K(o=-2.5!,f=-1.1) USER MOD Single : A 122 MET CE :methyl 143:sc= -7.39! (180deg=-12!) USER MOD Single : A 129 GLN : amide:sc= -6.84! C(o=-6.8!,f=-18!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 138 GLN : amide:sc= -1 K(o=-1,f=-0.11) USER MOD Single : A 139 GLN : amide:sc= -0.617 K(o=-0.62,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.182 -0.283 -5.825 1.00 0.00 N ATOM 21 CA GLU A 2 -17.636 -1.215 -6.804 1.00 0.00 C ATOM 22 C GLU A 2 -16.116 -1.283 -6.703 1.00 0.00 C ATOM 23 O GLU A 2 -15.509 -2.307 -7.013 1.00 0.00 O ATOM 24 CB GLU A 2 -18.045 -0.798 -8.218 1.00 0.00 C ATOM 25 CG GLU A 2 -19.370 -1.390 -8.668 1.00 0.00 C ATOM 26 CD GLU A 2 -19.937 -0.690 -9.888 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.496 -1.006 -11.012 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.822 0.175 -9.718 1.00 0.00 O ATOM 0 HA GLU A 2 -18.041 -2.204 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.109 0.289 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.265 -1.101 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.234 -2.448 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.088 -1.327 -7.851 1.00 0.00 H new ATOM 35 N ASN A 3 -15.507 -0.184 -6.270 1.00 0.00 N ATOM 36 CA ASN A 3 -14.058 -0.117 -6.131 1.00 0.00 C ATOM 37 C ASN A 3 -13.607 -0.738 -4.814 1.00 0.00 C ATOM 38 O ASN A 3 -12.526 -1.322 -4.730 1.00 0.00 O ATOM 39 CB ASN A 3 -13.592 1.335 -6.191 1.00 0.00 C ATOM 40 CG ASN A 3 -14.146 2.079 -7.387 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.715 1.480 -8.300 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.979 3.396 -7.385 1.00 0.00 N ATOM 0 H ASN A 3 -15.995 0.673 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.615 -0.679 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.895 1.847 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.503 1.361 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.329 3.956 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.501 3.848 -6.606 1.00 0.00 H new ATOM 49 N LEU A 4 -14.440 -0.605 -3.786 1.00 0.00 N ATOM 50 CA LEU A 4 -14.125 -1.147 -2.471 1.00 0.00 C ATOM 51 C LEU A 4 -13.791 -2.629 -2.566 1.00 0.00 C ATOM 52 O LEU A 4 -12.773 -3.082 -2.047 1.00 0.00 O ATOM 53 CB LEU A 4 -15.300 -0.937 -1.513 1.00 0.00 C ATOM 54 CG LEU A 4 -15.209 0.315 -0.639 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.598 0.812 -0.274 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.391 0.032 0.615 1.00 0.00 C ATOM 0 H LEU A 4 -15.339 -0.126 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.254 -0.618 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.220 -0.888 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.380 -1.809 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.705 1.097 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.514 1.703 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.148 1.055 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.130 0.035 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.337 0.934 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.866 -0.765 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.384 -0.275 0.331 1.00 0.00 H new ATOM 68 N LYS A 5 -14.650 -3.376 -3.239 1.00 0.00 N ATOM 69 CA LYS A 5 -14.439 -4.810 -3.404 1.00 0.00 C ATOM 70 C LYS A 5 -13.169 -5.081 -4.202 1.00 0.00 C ATOM 71 O LYS A 5 -12.577 -6.155 -4.100 1.00 0.00 O ATOM 72 CB LYS A 5 -15.643 -5.455 -4.092 1.00 0.00 C ATOM 73 CG LYS A 5 -16.975 -5.089 -3.458 1.00 0.00 C ATOM 74 CD LYS A 5 -17.011 -5.461 -1.985 1.00 0.00 C ATOM 75 CE LYS A 5 -18.428 -5.758 -1.519 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.926 -7.057 -2.050 1.00 0.00 N ATOM 0 H LYS A 5 -15.498 -3.018 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.325 -5.251 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.655 -5.156 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.526 -6.538 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.150 -4.019 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.782 -5.600 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.380 -6.333 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.596 -4.646 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.456 -5.777 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.092 -4.956 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.764 -7.355 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.181 -6.947 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.182 -7.778 -1.959 1.00 0.00 H new ATOM 90 N HIS A 6 -12.743 -4.092 -4.977 1.00 0.00 N ATOM 91 CA HIS A 6 -11.528 -4.213 -5.770 1.00 0.00 C ATOM 92 C HIS A 6 -10.332 -3.796 -4.927 1.00 0.00 C ATOM 93 O HIS A 6 -9.225 -4.310 -5.088 1.00 0.00 O ATOM 94 CB HIS A 6 -11.619 -3.348 -7.029 1.00 0.00 C ATOM 95 CG HIS A 6 -11.100 -4.025 -8.259 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.709 -5.124 -8.827 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.021 -3.753 -9.031 1.00 0.00 C ATOM 98 CE1 HIS A 6 -11.026 -5.499 -9.895 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.998 -4.684 -10.041 1.00 0.00 N ATOM 0 H HIS A 6 -13.222 -3.197 -5.073 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.407 -5.251 -6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.659 -3.065 -7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.060 -2.426 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.311 -2.953 -8.881 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.268 -6.331 -10.539 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.300 -4.737 -10.783 1.00 0.00 H new ATOM 108 N ILE A 7 -10.583 -2.866 -4.011 1.00 0.00 N ATOM 109 CA ILE A 7 -9.559 -2.368 -3.110 1.00 0.00 C ATOM 110 C ILE A 7 -9.307 -3.377 -1.995 1.00 0.00 C ATOM 111 O ILE A 7 -8.164 -3.721 -1.701 1.00 0.00 O ATOM 112 CB ILE A 7 -9.989 -1.012 -2.508 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.721 0.106 -3.517 1.00 0.00 C ATOM 114 CG2 ILE A 7 -9.275 -0.716 -1.192 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.967 0.797 -4.019 1.00 0.00 C ATOM 0 H ILE A 7 -11.500 -2.440 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.637 -2.225 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.056 -1.066 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.068 0.847 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.181 -0.309 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.609 0.247 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.507 -1.497 -0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.199 -0.686 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.690 1.576 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.613 0.070 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.498 1.245 -3.179 1.00 0.00 H new ATOM 127 N ILE A 8 -10.388 -3.846 -1.381 1.00 0.00 N ATOM 128 CA ILE A 8 -10.295 -4.817 -0.304 1.00 0.00 C ATOM 129 C ILE A 8 -9.677 -6.107 -0.810 1.00 0.00 C ATOM 130 O ILE A 8 -8.723 -6.626 -0.231 1.00 0.00 O ATOM 131 CB ILE A 8 -11.680 -5.133 0.279 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.379 -3.847 0.721 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.567 -6.111 1.438 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.868 -4.011 0.928 1.00 0.00 C ATOM 0 H ILE A 8 -11.341 -3.566 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.669 -4.382 0.475 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.282 -5.601 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.927 -3.498 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.207 -3.074 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.560 -6.320 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.113 -7.038 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.947 -5.676 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.299 -3.060 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.332 -4.330 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.048 -4.761 1.698 1.00 0.00 H new ATOM 146 N THR A 9 -10.226 -6.612 -1.907 1.00 0.00 N ATOM 147 CA THR A 9 -9.725 -7.840 -2.509 1.00 0.00 C ATOM 148 C THR A 9 -8.261 -7.666 -2.883 1.00 0.00 C ATOM 149 O THR A 9 -7.423 -8.512 -2.571 1.00 0.00 O ATOM 150 CB THR A 9 -10.553 -8.212 -3.743 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.342 -9.567 -4.098 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.234 -7.366 -4.957 1.00 0.00 C ATOM 0 H THR A 9 -11.016 -6.192 -2.397 1.00 0.00 H new ATOM 0 HA THR A 9 -9.813 -8.650 -1.785 1.00 0.00 H new ATOM 0 HB THR A 9 -11.590 -8.034 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.880 -9.786 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.856 -7.682 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.433 -6.318 -4.733 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.183 -7.487 -5.219 1.00 0.00 H new ATOM 160 N LEU A 10 -7.957 -6.545 -3.531 1.00 0.00 N ATOM 161 CA LEU A 10 -6.592 -6.250 -3.918 1.00 0.00 C ATOM 162 C LEU A 10 -5.749 -6.025 -2.678 1.00 0.00 C ATOM 163 O LEU A 10 -4.562 -6.349 -2.655 1.00 0.00 O ATOM 164 CB LEU A 10 -6.522 -5.028 -4.835 1.00 0.00 C ATOM 165 CG LEU A 10 -5.135 -4.737 -5.417 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.396 -6.033 -5.731 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.253 -3.874 -6.664 1.00 0.00 C ATOM 0 H LEU A 10 -8.638 -5.833 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.202 -7.102 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.223 -5.169 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.857 -4.154 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.559 -4.191 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.414 -5.801 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.278 -6.615 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.967 -6.611 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.259 -3.676 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.849 -4.396 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.736 -2.930 -6.409 1.00 0.00 H new ATOM 179 N GLY A 11 -6.378 -5.502 -1.627 1.00 0.00 N ATOM 180 CA GLY A 11 -5.661 -5.293 -0.394 1.00 0.00 C ATOM 181 C GLY A 11 -5.211 -6.619 0.177 1.00 0.00 C ATOM 182 O GLY A 11 -4.221 -6.691 0.902 1.00 0.00 O ATOM 0 H GLY A 11 -7.359 -5.224 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.797 -4.652 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.299 -4.777 0.324 1.00 0.00 H new ATOM 186 N GLN A 12 -5.942 -7.677 -0.181 1.00 0.00 N ATOM 187 CA GLN A 12 -5.619 -9.024 0.266 1.00 0.00 C ATOM 188 C GLN A 12 -4.523 -9.611 -0.606 1.00 0.00 C ATOM 189 O GLN A 12 -3.623 -10.292 -0.116 1.00 0.00 O ATOM 190 CB GLN A 12 -6.858 -9.920 0.207 1.00 0.00 C ATOM 191 CG GLN A 12 -7.947 -9.520 1.183 1.00 0.00 C ATOM 192 CD GLN A 12 -7.450 -9.456 2.611 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.576 -10.222 3.015 1.00 0.00 O ATOM 194 NE2 GLN A 12 -8.011 -8.537 3.382 1.00 0.00 N ATOM 0 H GLN A 12 -6.764 -7.621 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.271 -8.972 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.263 -9.898 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.561 -10.949 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.347 -8.547 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.768 -10.234 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.732 -7.924 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.722 -8.442 4.356 1.00 0.00 H new ATOM 203 N VAL A 13 -4.595 -9.325 -1.899 1.00 0.00 N ATOM 204 CA VAL A 13 -3.595 -9.808 -2.835 1.00 0.00 C ATOM 205 C VAL A 13 -2.281 -9.108 -2.569 1.00 0.00 C ATOM 206 O VAL A 13 -1.286 -9.738 -2.224 1.00 0.00 O ATOM 207 CB VAL A 13 -4.025 -9.568 -4.287 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.858 -9.772 -5.243 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.183 -10.479 -4.637 1.00 0.00 C ATOM 0 H VAL A 13 -5.334 -8.762 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.482 -10.883 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.353 -8.533 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.191 -9.596 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.059 -9.073 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.488 -10.793 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.484 -10.304 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.877 -11.518 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.023 -10.271 -3.974 1.00 0.00 H new ATOM 219 N ILE A 14 -2.299 -7.789 -2.696 1.00 0.00 N ATOM 220 CA ILE A 14 -1.120 -6.985 -2.427 1.00 0.00 C ATOM 221 C ILE A 14 -0.469 -7.459 -1.128 1.00 0.00 C ATOM 222 O ILE A 14 0.748 -7.398 -0.966 1.00 0.00 O ATOM 223 CB ILE A 14 -1.496 -5.487 -2.318 1.00 0.00 C ATOM 224 CG1 ILE A 14 -1.013 -4.716 -3.545 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.941 -4.865 -1.047 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.854 -3.499 -3.839 1.00 0.00 C ATOM 0 H ILE A 14 -3.119 -7.254 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.416 -7.101 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.583 -5.424 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.021 -4.409 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.024 -5.377 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.224 -3.813 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.346 -5.386 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.146 -4.949 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.464 -2.991 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.884 -3.804 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.823 -2.821 -2.986 1.00 0.00 H new ATOM 238 N HIS A 15 -1.308 -7.942 -0.211 1.00 0.00 N ATOM 239 CA HIS A 15 -0.843 -8.443 1.070 1.00 0.00 C ATOM 240 C HIS A 15 -0.384 -9.896 0.949 1.00 0.00 C ATOM 241 O HIS A 15 0.603 -10.294 1.568 1.00 0.00 O ATOM 242 CB HIS A 15 -1.961 -8.300 2.109 1.00 0.00 C ATOM 243 CG HIS A 15 -2.079 -9.447 3.059 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.068 -10.398 2.955 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.334 -9.795 4.134 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.930 -11.280 3.923 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.884 -10.939 4.654 1.00 0.00 N ATOM 0 H HIS A 15 -2.319 -7.994 -0.339 1.00 0.00 H new ATOM 0 HA HIS A 15 0.016 -7.856 1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.793 -7.388 2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.910 -8.178 1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.469 -9.270 4.512 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.565 -12.137 4.091 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.541 -11.444 5.471 1.00 0.00 H new ATOM 256 N LYS A 16 -1.102 -10.688 0.152 1.00 0.00 N ATOM 257 CA LYS A 16 -0.745 -12.091 -0.030 1.00 0.00 C ATOM 258 C LYS A 16 0.505 -12.221 -0.896 1.00 0.00 C ATOM 259 O LYS A 16 1.397 -13.015 -0.599 1.00 0.00 O ATOM 260 CB LYS A 16 -1.918 -12.877 -0.633 1.00 0.00 C ATOM 261 CG LYS A 16 -2.000 -12.827 -2.152 1.00 0.00 C ATOM 262 CD LYS A 16 -3.366 -13.274 -2.643 1.00 0.00 C ATOM 263 CE LYS A 16 -3.461 -14.789 -2.734 1.00 0.00 C ATOM 264 NZ LYS A 16 -3.717 -15.245 -4.128 1.00 0.00 N ATOM 0 H LYS A 16 -1.924 -10.385 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.523 -12.518 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.839 -13.918 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.849 -12.490 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.801 -11.812 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.229 -13.466 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.136 -12.901 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.562 -12.837 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.534 -15.234 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.261 -15.143 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.775 -16.283 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.614 -14.841 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.941 -14.930 -4.744 1.00 0.00 H new ATOM 278 N ARG A 17 0.569 -11.426 -1.959 1.00 0.00 N ATOM 279 CA ARG A 17 1.718 -11.443 -2.854 1.00 0.00 C ATOM 280 C ARG A 17 2.959 -10.945 -2.125 1.00 0.00 C ATOM 281 O ARG A 17 4.055 -11.476 -2.307 1.00 0.00 O ATOM 282 CB ARG A 17 1.451 -10.578 -4.087 1.00 0.00 C ATOM 283 CG ARG A 17 0.628 -11.279 -5.157 1.00 0.00 C ATOM 284 CD ARG A 17 1.177 -11.015 -6.550 1.00 0.00 C ATOM 285 NE ARG A 17 1.828 -12.195 -7.114 1.00 0.00 N ATOM 286 CZ ARG A 17 1.186 -13.317 -7.427 1.00 0.00 C ATOM 287 NH1 ARG A 17 -0.123 -13.417 -7.235 1.00 0.00 N ATOM 288 NH2 ARG A 17 1.855 -14.345 -7.934 1.00 0.00 N ATOM 0 H ARG A 17 -0.161 -10.763 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 17 1.887 -12.469 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.932 -9.670 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.404 -10.270 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.621 -12.352 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.406 -10.938 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.365 -10.700 -7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.891 -10.192 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 17 2.834 -12.156 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.643 -12.631 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.609 -14.280 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.862 -14.275 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.363 -15.205 -8.174 1.00 0.00 H new ATOM 302 N CYS A 18 2.776 -9.929 -1.286 1.00 0.00 N ATOM 303 CA CYS A 18 3.880 -9.371 -0.516 1.00 0.00 C ATOM 304 C CYS A 18 4.263 -10.325 0.609 1.00 0.00 C ATOM 305 O CYS A 18 5.435 -10.461 0.955 1.00 0.00 O ATOM 306 CB CYS A 18 3.507 -7.995 0.048 1.00 0.00 C ATOM 307 SG CYS A 18 2.578 -8.035 1.601 1.00 0.00 S ATOM 0 H CYS A 18 1.876 -9.478 -1.123 1.00 0.00 H new ATOM 0 HA CYS A 18 4.737 -9.243 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.421 -7.422 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.918 -7.460 -0.697 1.00 0.00 H new ATOM 0 HG CYS A 18 1.849 -9.111 1.643 1.00 0.00 H new ATOM 313 N GLU A 19 3.261 -10.993 1.167 1.00 0.00 N ATOM 314 CA GLU A 19 3.489 -11.947 2.240 1.00 0.00 C ATOM 315 C GLU A 19 4.347 -13.100 1.734 1.00 0.00 C ATOM 316 O GLU A 19 5.118 -13.693 2.488 1.00 0.00 O ATOM 317 CB GLU A 19 2.159 -12.475 2.778 1.00 0.00 C ATOM 318 CG GLU A 19 1.663 -11.732 4.008 1.00 0.00 C ATOM 319 CD GLU A 19 0.845 -12.614 4.931 1.00 0.00 C ATOM 320 OE1 GLU A 19 -0.285 -12.986 4.551 1.00 0.00 O ATOM 321 OE2 GLU A 19 1.334 -12.931 6.036 1.00 0.00 O ATOM 0 H GLU A 19 2.284 -10.890 0.893 1.00 0.00 H new ATOM 0 HA GLU A 19 4.013 -11.443 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.406 -12.405 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.269 -13.532 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.517 -11.332 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.059 -10.881 3.695 1.00 0.00 H new ATOM 328 N GLU A 20 4.207 -13.409 0.447 1.00 0.00 N ATOM 329 CA GLU A 20 4.973 -14.489 -0.165 1.00 0.00 C ATOM 330 C GLU A 20 6.310 -13.987 -0.716 1.00 0.00 C ATOM 331 O GLU A 20 7.171 -14.783 -1.089 1.00 0.00 O ATOM 332 CB GLU A 20 4.164 -15.149 -1.283 1.00 0.00 C ATOM 333 CG GLU A 20 3.774 -14.194 -2.397 1.00 0.00 C ATOM 334 CD GLU A 20 3.110 -14.899 -3.564 1.00 0.00 C ATOM 335 OE1 GLU A 20 2.446 -15.932 -3.334 1.00 0.00 O ATOM 336 OE2 GLU A 20 3.253 -14.418 -4.708 1.00 0.00 O ATOM 0 H GLU A 20 3.572 -12.928 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 20 5.182 -15.225 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.745 -15.969 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.261 -15.585 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.096 -13.437 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.663 -13.672 -2.751 1.00 0.00 H new ATOM 343 N MET A 21 6.482 -12.665 -0.767 1.00 0.00 N ATOM 344 CA MET A 21 7.718 -12.072 -1.275 1.00 0.00 C ATOM 345 C MET A 21 8.930 -12.599 -0.518 1.00 0.00 C ATOM 346 O MET A 21 8.924 -12.683 0.709 1.00 0.00 O ATOM 347 CB MET A 21 7.669 -10.546 -1.164 1.00 0.00 C ATOM 348 CG MET A 21 6.930 -9.873 -2.309 1.00 0.00 C ATOM 349 SD MET A 21 7.815 -10.000 -3.874 1.00 0.00 S ATOM 350 CE MET A 21 8.243 -8.285 -4.168 1.00 0.00 C ATOM 0 H MET A 21 5.783 -11.987 -0.464 1.00 0.00 H new ATOM 0 HA MET A 21 7.811 -12.353 -2.324 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.189 -10.274 -0.224 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.688 -10.161 -1.125 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.944 -10.325 -2.416 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.774 -8.821 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.345 -8.114 -5.240 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.459 -7.641 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.187 -8.055 -3.673 1.00 0.00 H new ATOM 360 N LYS A 22 9.974 -12.942 -1.263 1.00 0.00 N ATOM 361 CA LYS A 22 11.205 -13.447 -0.668 1.00 0.00 C ATOM 362 C LYS A 22 12.301 -12.383 -0.710 1.00 0.00 C ATOM 363 O LYS A 22 13.411 -12.604 -0.226 1.00 0.00 O ATOM 364 CB LYS A 22 11.669 -14.711 -1.398 1.00 0.00 C ATOM 365 CG LYS A 22 11.833 -15.914 -0.482 1.00 0.00 C ATOM 366 CD LYS A 22 13.052 -15.769 0.415 1.00 0.00 C ATOM 367 CE LYS A 22 12.779 -16.293 1.815 1.00 0.00 C ATOM 368 NZ LYS A 22 13.933 -16.064 2.728 1.00 0.00 N ATOM 0 H LYS A 22 9.993 -12.880 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 22 11.004 -13.695 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.949 -14.955 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.619 -14.508 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.940 -16.030 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.927 -16.819 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.892 -16.311 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.343 -14.720 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.893 -15.803 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.560 -17.360 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.707 -16.435 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.772 -16.552 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.126 -15.044 2.794 1.00 0.00 H new ATOM 382 N TYR A 23 11.982 -11.226 -1.291 1.00 0.00 N ATOM 383 CA TYR A 23 12.942 -10.131 -1.391 1.00 0.00 C ATOM 384 C TYR A 23 12.341 -8.829 -0.877 1.00 0.00 C ATOM 385 O TYR A 23 11.141 -8.595 -1.010 1.00 0.00 O ATOM 386 CB TYR A 23 13.405 -9.962 -2.836 1.00 0.00 C ATOM 387 CG TYR A 23 14.585 -10.835 -3.194 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.434 -12.208 -3.345 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.848 -10.288 -3.378 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.511 -13.011 -3.668 1.00 0.00 C ATOM 391 CE2 TYR A 23 16.930 -11.085 -3.702 1.00 0.00 C ATOM 392 CZ TYR A 23 16.756 -12.445 -3.845 1.00 0.00 C ATOM 393 OH TYR A 23 17.830 -13.242 -4.167 1.00 0.00 O ATOM 0 H TYR A 23 11.068 -11.025 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 23 13.803 -10.378 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.576 -10.193 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.670 -8.918 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.460 -12.654 -3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.987 -9.223 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.378 -14.077 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.906 -10.645 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 23 18.633 -12.688 -4.257 1.00 0.00 H new ATOM 403 N CYS A 24 13.189 -7.986 -0.286 1.00 0.00 N ATOM 404 CA CYS A 24 12.755 -6.701 0.257 1.00 0.00 C ATOM 405 C CYS A 24 11.418 -6.834 0.981 1.00 0.00 C ATOM 406 O CYS A 24 10.579 -5.935 0.932 1.00 0.00 O ATOM 407 CB CYS A 24 12.654 -5.663 -0.860 1.00 0.00 C ATOM 408 SG CYS A 24 14.237 -5.286 -1.648 1.00 0.00 S ATOM 0 H CYS A 24 14.185 -8.173 -0.172 1.00 0.00 H new ATOM 0 HA CYS A 24 13.499 -6.370 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.958 -6.024 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.233 -4.744 -0.453 1.00 0.00 H new ATOM 0 HG CYS A 24 14.808 -4.299 -1.024 1.00 0.00 H new ATOM 414 N LYS A 25 11.230 -7.970 1.648 1.00 0.00 N ATOM 415 CA LYS A 25 9.999 -8.240 2.383 1.00 0.00 C ATOM 416 C LYS A 25 9.642 -7.083 3.310 1.00 0.00 C ATOM 417 O LYS A 25 8.473 -6.854 3.606 1.00 0.00 O ATOM 418 CB LYS A 25 10.135 -9.529 3.194 1.00 0.00 C ATOM 419 CG LYS A 25 9.992 -10.791 2.359 1.00 0.00 C ATOM 420 CD LYS A 25 10.159 -12.042 3.207 1.00 0.00 C ATOM 421 CE LYS A 25 11.543 -12.648 3.039 1.00 0.00 C ATOM 422 NZ LYS A 25 12.559 -11.953 3.876 1.00 0.00 N ATOM 0 H LYS A 25 11.919 -8.721 1.694 1.00 0.00 H new ATOM 0 HA LYS A 25 9.197 -8.356 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.107 -9.538 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.379 -9.536 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.013 -10.803 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.736 -10.788 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.993 -11.797 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.403 -12.776 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.512 -13.704 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.838 -12.594 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.457 -12.477 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.705 -10.989 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.226 -11.907 4.860 1.00 0.00 H new ATOM 436 N LYS A 26 10.656 -6.357 3.767 1.00 0.00 N ATOM 437 CA LYS A 26 10.438 -5.225 4.660 1.00 0.00 C ATOM 438 C LYS A 26 9.417 -4.256 4.071 1.00 0.00 C ATOM 439 O LYS A 26 8.451 -3.875 4.734 1.00 0.00 O ATOM 440 CB LYS A 26 11.756 -4.496 4.927 1.00 0.00 C ATOM 441 CG LYS A 26 12.824 -5.380 5.553 1.00 0.00 C ATOM 442 CD LYS A 26 14.005 -5.579 4.617 1.00 0.00 C ATOM 443 CE LYS A 26 15.162 -4.659 4.974 1.00 0.00 C ATOM 444 NZ LYS A 26 16.479 -5.337 4.824 1.00 0.00 N ATOM 0 H LYS A 26 11.634 -6.531 3.535 1.00 0.00 H new ATOM 0 HA LYS A 26 10.047 -5.609 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.135 -4.092 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.566 -3.648 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.169 -4.931 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.393 -6.348 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.336 -6.616 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.692 -5.390 3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.134 -3.776 4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.047 -4.313 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.210 -4.790 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.425 -6.293 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.723 -5.402 3.815 1.00 0.00 H new ATOM 458 N GLN A 27 9.637 -3.864 2.822 1.00 0.00 N ATOM 459 CA GLN A 27 8.740 -2.941 2.143 1.00 0.00 C ATOM 460 C GLN A 27 7.468 -3.650 1.690 1.00 0.00 C ATOM 461 O GLN A 27 6.363 -3.136 1.861 1.00 0.00 O ATOM 462 CB GLN A 27 9.446 -2.321 0.939 1.00 0.00 C ATOM 463 CG GLN A 27 10.082 -0.973 1.234 1.00 0.00 C ATOM 464 CD GLN A 27 11.447 -1.105 1.880 1.00 0.00 C ATOM 465 OE1 GLN A 27 11.697 -0.552 2.949 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.338 -1.846 1.231 1.00 0.00 N ATOM 0 H GLN A 27 10.430 -4.172 2.259 1.00 0.00 H new ATOM 0 HA GLN A 27 8.462 -2.155 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.216 -3.007 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.728 -2.205 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.175 -0.408 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.426 -0.401 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.087 -2.287 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.273 -1.974 1.618 1.00 0.00 H new ATOM 475 N CYS A 28 7.634 -4.832 1.107 1.00 0.00 N ATOM 476 CA CYS A 28 6.503 -5.613 0.625 1.00 0.00 C ATOM 477 C CYS A 28 5.577 -6.003 1.773 1.00 0.00 C ATOM 478 O CYS A 28 4.397 -5.651 1.778 1.00 0.00 O ATOM 479 CB CYS A 28 6.996 -6.868 -0.097 1.00 0.00 C ATOM 480 SG CYS A 28 8.323 -6.561 -1.288 1.00 0.00 S ATOM 0 H CYS A 28 8.543 -5.270 0.957 1.00 0.00 H new ATOM 0 HA CYS A 28 5.940 -4.995 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.346 -7.587 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.156 -7.329 -0.616 1.00 0.00 H new ATOM 0 HG CYS A 28 9.417 -6.266 -0.652 1.00 0.00 H new ATOM 486 N ARG A 29 6.116 -6.737 2.741 1.00 0.00 N ATOM 487 CA ARG A 29 5.338 -7.185 3.893 1.00 0.00 C ATOM 488 C ARG A 29 4.546 -6.034 4.511 1.00 0.00 C ATOM 489 O ARG A 29 3.372 -6.190 4.849 1.00 0.00 O ATOM 490 CB ARG A 29 6.256 -7.824 4.943 1.00 0.00 C ATOM 491 CG ARG A 29 6.879 -6.833 5.917 1.00 0.00 C ATOM 492 CD ARG A 29 7.833 -7.520 6.879 1.00 0.00 C ATOM 493 NE ARG A 29 7.215 -7.768 8.179 1.00 0.00 N ATOM 494 CZ ARG A 29 7.882 -8.184 9.252 1.00 0.00 C ATOM 495 NH1 ARG A 29 9.190 -8.402 9.185 1.00 0.00 N ATOM 496 NH2 ARG A 29 7.242 -8.384 10.396 1.00 0.00 N ATOM 0 H ARG A 29 7.091 -7.035 2.751 1.00 0.00 H new ATOM 0 HA ARG A 29 4.626 -7.933 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.685 -8.561 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.053 -8.363 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.414 -6.063 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.092 -6.331 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.164 -8.465 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.721 -6.902 7.012 1.00 0.00 H new ATOM 0 HE ARG A 29 6.211 -7.613 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.688 -8.250 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.697 -8.721 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.237 -8.219 10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.755 -8.703 11.218 1.00 0.00 H new ATOM 510 N ARG A 30 5.193 -4.884 4.665 1.00 0.00 N ATOM 511 CA ARG A 30 4.538 -3.721 5.252 1.00 0.00 C ATOM 512 C ARG A 30 3.579 -3.068 4.268 1.00 0.00 C ATOM 513 O ARG A 30 2.508 -2.612 4.656 1.00 0.00 O ATOM 514 CB ARG A 30 5.565 -2.695 5.718 1.00 0.00 C ATOM 515 CG ARG A 30 6.380 -3.146 6.919 1.00 0.00 C ATOM 516 CD ARG A 30 6.879 -1.962 7.729 1.00 0.00 C ATOM 517 NE ARG A 30 7.941 -2.341 8.658 1.00 0.00 N ATOM 518 CZ ARG A 30 9.214 -2.499 8.305 1.00 0.00 C ATOM 519 NH1 ARG A 30 9.589 -2.314 7.045 1.00 0.00 N ATOM 520 NH2 ARG A 30 10.116 -2.843 9.214 1.00 0.00 N ATOM 0 H ARG A 30 6.164 -4.732 4.393 1.00 0.00 H new ATOM 0 HA ARG A 30 3.969 -4.073 6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.242 -2.472 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.051 -1.767 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.771 -3.791 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.229 -3.741 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.247 -1.190 7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.048 -1.528 8.286 1.00 0.00 H new ATOM 0 HE ARG A 30 7.692 -2.494 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.900 -2.049 6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.566 -2.437 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.834 -2.986 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.092 -2.964 8.944 1.00 0.00 H new ATOM 534 N LEU A 31 3.959 -3.019 2.995 1.00 0.00 N ATOM 535 CA LEU A 31 3.102 -2.412 1.982 1.00 0.00 C ATOM 536 C LEU A 31 1.729 -3.069 1.996 1.00 0.00 C ATOM 537 O LEU A 31 0.704 -2.390 2.041 1.00 0.00 O ATOM 538 CB LEU A 31 3.728 -2.536 0.589 1.00 0.00 C ATOM 539 CG LEU A 31 2.814 -2.140 -0.582 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.108 -0.815 -0.307 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.616 -2.062 -1.875 1.00 0.00 C ATOM 0 H LEU A 31 4.843 -3.387 2.643 1.00 0.00 H new ATOM 0 HA LEU A 31 2.995 -1.353 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.623 -1.915 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.050 -3.567 0.444 1.00 0.00 H new ATOM 0 HG LEU A 31 2.049 -2.909 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.469 -0.561 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.500 -0.907 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.850 -0.030 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.956 -1.781 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.404 -1.316 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.063 -3.034 -2.085 1.00 0.00 H new ATOM 553 N GLY A 32 1.721 -4.394 1.972 1.00 0.00 N ATOM 554 CA GLY A 32 0.474 -5.126 1.996 1.00 0.00 C ATOM 555 C GLY A 32 -0.238 -4.988 3.323 1.00 0.00 C ATOM 556 O GLY A 32 -1.438 -4.716 3.366 1.00 0.00 O ATOM 0 H GLY A 32 2.559 -4.975 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.174 -4.765 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.668 -6.180 1.797 1.00 0.00 H new ATOM 560 N HIS A 33 0.504 -5.166 4.410 1.00 0.00 N ATOM 561 CA HIS A 33 -0.067 -5.048 5.744 1.00 0.00 C ATOM 562 C HIS A 33 -0.560 -3.624 5.979 1.00 0.00 C ATOM 563 O HIS A 33 -1.598 -3.414 6.605 1.00 0.00 O ATOM 564 CB HIS A 33 0.961 -5.434 6.808 1.00 0.00 C ATOM 565 CG HIS A 33 0.378 -6.205 7.951 1.00 0.00 C ATOM 566 ND1 HIS A 33 -0.195 -5.602 9.052 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.279 -7.538 8.162 1.00 0.00 C ATOM 568 CE1 HIS A 33 -0.620 -6.531 9.890 1.00 0.00 C ATOM 569 NE2 HIS A 33 -0.345 -7.714 9.372 1.00 0.00 N ATOM 0 H HIS A 33 1.499 -5.392 4.393 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.912 -5.732 5.820 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.747 -6.028 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.431 -4.529 7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.626 -8.318 7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.109 -6.353 10.837 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.561 -8.613 9.802 1.00 0.00 H new ATOM 578 N ARG A 34 0.174 -2.650 5.444 1.00 0.00 N ATOM 579 CA ARG A 34 -0.217 -1.255 5.571 1.00 0.00 C ATOM 580 C ARG A 34 -1.439 -1.027 4.703 1.00 0.00 C ATOM 581 O ARG A 34 -2.403 -0.374 5.106 1.00 0.00 O ATOM 582 CB ARG A 34 0.923 -0.327 5.144 1.00 0.00 C ATOM 583 CG ARG A 34 1.998 -0.155 6.206 1.00 0.00 C ATOM 584 CD ARG A 34 3.348 0.172 5.586 1.00 0.00 C ATOM 585 NE ARG A 34 4.317 0.617 6.586 1.00 0.00 N ATOM 586 CZ ARG A 34 5.636 0.573 6.416 1.00 0.00 C ATOM 587 NH1 ARG A 34 6.152 0.102 5.288 1.00 0.00 N ATOM 588 NH2 ARG A 34 6.443 1.001 7.376 1.00 0.00 N ATOM 0 H ARG A 34 1.037 -2.804 4.922 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.447 -1.030 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.380 -0.721 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.511 0.651 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.709 0.641 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.079 -1.069 6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.735 -0.709 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.222 0.949 4.832 1.00 0.00 H new ATOM 0 HE ARG A 34 3.960 0.984 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.537 -0.229 4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.164 0.071 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.053 1.364 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.454 0.967 7.245 1.00 0.00 H new ATOM 602 N VAL A 35 -1.395 -1.618 3.515 1.00 0.00 N ATOM 603 CA VAL A 35 -2.505 -1.537 2.577 1.00 0.00 C ATOM 604 C VAL A 35 -3.751 -2.133 3.218 1.00 0.00 C ATOM 605 O VAL A 35 -4.822 -1.526 3.215 1.00 0.00 O ATOM 606 CB VAL A 35 -2.186 -2.298 1.272 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.459 -2.656 0.515 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.254 -1.482 0.392 1.00 0.00 C ATOM 0 H VAL A 35 -0.599 -2.160 3.179 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.673 -0.488 2.331 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.685 -3.228 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.201 -3.191 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.088 -3.289 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.000 -1.744 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.041 -2.035 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.729 -0.533 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.323 -1.292 0.926 1.00 0.00 H new ATOM 618 N LEU A 36 -3.590 -3.328 3.779 1.00 0.00 N ATOM 619 CA LEU A 36 -4.685 -4.020 4.444 1.00 0.00 C ATOM 620 C LEU A 36 -5.327 -3.115 5.484 1.00 0.00 C ATOM 621 O LEU A 36 -6.549 -2.998 5.553 1.00 0.00 O ATOM 622 CB LEU A 36 -4.176 -5.299 5.115 1.00 0.00 C ATOM 623 CG LEU A 36 -4.030 -6.506 4.188 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.661 -7.747 4.983 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.313 -6.739 3.414 1.00 0.00 C ATOM 0 H LEU A 36 -2.707 -3.838 3.785 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.431 -4.285 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.208 -5.091 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.858 -5.562 5.924 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.229 -6.299 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.561 -8.596 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.715 -7.581 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.441 -7.956 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.191 -7.602 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.130 -6.925 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.541 -5.858 2.814 1.00 0.00 H new ATOM 637 N GLY A 37 -4.486 -2.468 6.285 1.00 0.00 N ATOM 638 CA GLY A 37 -4.979 -1.570 7.312 1.00 0.00 C ATOM 639 C GLY A 37 -5.873 -0.487 6.746 1.00 0.00 C ATOM 640 O GLY A 37 -6.768 0.009 7.429 1.00 0.00 O ATOM 0 H GLY A 37 -3.470 -2.550 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.532 -2.142 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.135 -1.110 7.825 1.00 0.00 H new ATOM 644 N LEU A 38 -5.631 -0.123 5.490 1.00 0.00 N ATOM 645 CA LEU A 38 -6.425 0.902 4.821 1.00 0.00 C ATOM 646 C LEU A 38 -7.780 0.328 4.429 1.00 0.00 C ATOM 647 O LEU A 38 -8.793 1.028 4.424 1.00 0.00 O ATOM 648 CB LEU A 38 -5.693 1.422 3.584 1.00 0.00 C ATOM 649 CG LEU A 38 -4.373 2.143 3.870 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.792 2.720 2.590 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.575 3.240 4.909 1.00 0.00 C ATOM 0 H LEU A 38 -4.890 -0.523 4.914 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.575 1.736 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.494 0.582 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.354 2.104 3.049 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.666 1.417 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.854 3.229 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.608 1.915 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.497 3.431 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.626 3.741 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.299 3.965 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.945 2.800 5.835 1.00 0.00 H new ATOM 663 N ILE A 39 -7.780 -0.963 4.121 1.00 0.00 N ATOM 664 CA ILE A 39 -8.993 -1.672 3.744 1.00 0.00 C ATOM 665 C ILE A 39 -9.688 -2.220 4.989 1.00 0.00 C ATOM 666 O ILE A 39 -10.866 -2.578 4.954 1.00 0.00 O ATOM 667 CB ILE A 39 -8.680 -2.823 2.745 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.755 -4.202 3.422 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.308 -2.623 2.119 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.116 -5.320 2.617 1.00 0.00 C ATOM 0 H ILE A 39 -6.942 -1.545 4.126 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.661 -0.969 3.247 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.439 -2.793 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.268 -4.145 4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.801 -4.450 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.104 -3.436 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.287 -1.673 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.549 -2.616 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.210 -6.260 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.618 -5.407 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.061 -5.097 2.458 1.00 0.00 H new ATOM 682 N LYS A 40 -8.937 -2.289 6.086 1.00 0.00 N ATOM 683 CA LYS A 40 -9.460 -2.801 7.352 1.00 0.00 C ATOM 684 C LYS A 40 -10.731 -2.068 7.790 1.00 0.00 C ATOM 685 O LYS A 40 -11.791 -2.682 7.909 1.00 0.00 O ATOM 686 CB LYS A 40 -8.396 -2.699 8.452 1.00 0.00 C ATOM 687 CG LYS A 40 -7.371 -3.827 8.434 1.00 0.00 C ATOM 688 CD LYS A 40 -8.031 -5.195 8.335 1.00 0.00 C ATOM 689 CE LYS A 40 -8.077 -5.688 6.897 1.00 0.00 C ATOM 690 NZ LYS A 40 -9.138 -6.713 6.694 1.00 0.00 N ATOM 0 H LYS A 40 -7.961 -1.996 6.124 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.719 -3.848 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.875 -1.747 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.892 -2.689 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.695 -3.689 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.765 -3.781 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.483 -5.910 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.043 -5.142 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.255 -4.845 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.109 -6.110 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.081 -7.084 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.003 -7.491 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.072 -6.281 6.845 1.00 0.00 H new ATOM 704 N PRO A 41 -10.653 -0.747 8.049 1.00 0.00 N ATOM 705 CA PRO A 41 -11.815 0.034 8.484 1.00 0.00 C ATOM 706 C PRO A 41 -12.963 -0.034 7.485 1.00 0.00 C ATOM 707 O PRO A 41 -14.134 -0.046 7.870 1.00 0.00 O ATOM 708 CB PRO A 41 -11.284 1.469 8.608 1.00 0.00 C ATOM 709 CG PRO A 41 -9.981 1.483 7.883 1.00 0.00 C ATOM 710 CD PRO A 41 -9.441 0.079 7.946 1.00 0.00 C ATOM 0 HA PRO A 41 -12.227 -0.349 9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.982 2.184 8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.153 1.749 9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.116 1.801 6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.288 2.186 8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.860 -0.169 7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.785 -0.061 8.805 1.00 0.00 H new ATOM 718 N LEU A 42 -12.628 -0.091 6.201 1.00 0.00 N ATOM 719 CA LEU A 42 -13.646 -0.171 5.163 1.00 0.00 C ATOM 720 C LEU A 42 -14.487 -1.424 5.344 1.00 0.00 C ATOM 721 O LEU A 42 -15.698 -1.406 5.132 1.00 0.00 O ATOM 722 CB LEU A 42 -13.011 -0.190 3.778 1.00 0.00 C ATOM 723 CG LEU A 42 -11.975 0.896 3.517 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.226 0.589 2.235 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.639 2.263 3.440 1.00 0.00 C ATOM 0 H LEU A 42 -11.668 -0.083 5.857 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.281 0.711 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.540 -1.161 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.802 -0.100 3.033 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.265 0.915 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.486 1.367 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.724 -0.374 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.929 0.553 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.882 3.025 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.368 2.268 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.143 2.476 4.382 1.00 0.00 H new ATOM 737 N GLU A 43 -13.838 -2.514 5.741 1.00 0.00 N ATOM 738 CA GLU A 43 -14.537 -3.772 5.952 1.00 0.00 C ATOM 739 C GLU A 43 -15.737 -3.562 6.870 1.00 0.00 C ATOM 740 O GLU A 43 -16.783 -4.184 6.702 1.00 0.00 O ATOM 741 CB GLU A 43 -13.595 -4.820 6.550 1.00 0.00 C ATOM 742 CG GLU A 43 -12.545 -5.321 5.573 1.00 0.00 C ATOM 743 CD GLU A 43 -12.420 -6.832 5.575 1.00 0.00 C ATOM 744 OE1 GLU A 43 -11.805 -7.377 6.516 1.00 0.00 O ATOM 745 OE2 GLU A 43 -12.938 -7.472 4.636 1.00 0.00 O ATOM 0 H GLU A 43 -12.835 -2.550 5.922 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.889 -4.134 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.096 -4.394 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.184 -5.666 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.798 -4.982 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.580 -4.880 5.824 1.00 0.00 H new ATOM 752 N MET A 44 -15.581 -2.663 7.834 1.00 0.00 N ATOM 753 CA MET A 44 -16.657 -2.354 8.766 1.00 0.00 C ATOM 754 C MET A 44 -17.675 -1.421 8.116 1.00 0.00 C ATOM 755 O MET A 44 -18.826 -1.347 8.542 1.00 0.00 O ATOM 756 CB MET A 44 -16.092 -1.708 10.032 1.00 0.00 C ATOM 757 CG MET A 44 -15.323 -2.674 10.918 1.00 0.00 C ATOM 758 SD MET A 44 -14.297 -1.830 12.137 1.00 0.00 S ATOM 759 CE MET A 44 -12.686 -1.948 11.365 1.00 0.00 C ATOM 0 H MET A 44 -14.722 -2.136 7.990 1.00 0.00 H new ATOM 0 HA MET A 44 -17.157 -3.285 9.036 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.434 -0.887 9.748 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.912 -1.276 10.606 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.027 -3.329 11.432 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.693 -3.309 10.295 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.166 -0.995 11.461 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.104 -2.729 11.854 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.805 -2.192 10.309 1.00 0.00 H new ATOM 769 N LEU A 45 -17.232 -0.697 7.091 1.00 0.00 N ATOM 770 CA LEU A 45 -18.093 0.244 6.386 1.00 0.00 C ATOM 771 C LEU A 45 -18.814 -0.405 5.202 1.00 0.00 C ATOM 772 O LEU A 45 -20.044 -0.409 5.144 1.00 0.00 O ATOM 773 CB LEU A 45 -17.267 1.433 5.890 1.00 0.00 C ATOM 774 CG LEU A 45 -17.321 2.676 6.775 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.256 2.607 7.856 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.148 3.929 5.933 1.00 0.00 C ATOM 0 H LEU A 45 -16.279 -0.746 6.731 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.852 0.581 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.228 1.119 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.611 1.702 4.891 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.297 2.716 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.309 3.501 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.422 1.725 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.271 2.545 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.188 4.808 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.184 3.895 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.947 3.984 5.193 1.00 0.00 H new ATOM 788 N GLN A 46 -18.047 -0.925 4.243 1.00 0.00 N ATOM 789 CA GLN A 46 -18.632 -1.537 3.051 1.00 0.00 C ATOM 790 C GLN A 46 -19.084 -2.980 3.285 1.00 0.00 C ATOM 791 O GLN A 46 -20.181 -3.363 2.878 1.00 0.00 O ATOM 792 CB GLN A 46 -17.638 -1.478 1.886 1.00 0.00 C ATOM 793 CG GLN A 46 -16.459 -2.427 2.028 1.00 0.00 C ATOM 794 CD GLN A 46 -16.776 -3.829 1.546 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.486 -4.012 0.556 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.252 -4.829 2.245 1.00 0.00 N ATOM 0 H GLN A 46 -17.027 -0.935 4.268 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.524 -0.961 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.166 -1.707 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.262 -0.459 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.613 -2.036 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.154 -2.467 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.669 -4.632 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.432 -5.794 1.968 1.00 0.00 H new ATOM 805 N ASP A 47 -18.240 -3.787 3.921 1.00 0.00 N ATOM 806 CA ASP A 47 -18.575 -5.187 4.171 1.00 0.00 C ATOM 807 C ASP A 47 -19.830 -5.316 5.031 1.00 0.00 C ATOM 808 O ASP A 47 -20.779 -6.006 4.657 1.00 0.00 O ATOM 809 CB ASP A 47 -17.404 -5.913 4.838 1.00 0.00 C ATOM 810 CG ASP A 47 -17.117 -7.256 4.197 1.00 0.00 C ATOM 811 OD1 ASP A 47 -16.309 -7.301 3.245 1.00 0.00 O ATOM 812 OD2 ASP A 47 -17.700 -8.266 4.647 1.00 0.00 O ATOM 0 H ASP A 47 -17.326 -3.500 4.271 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.776 -5.653 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.513 -5.288 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.625 -6.058 5.896 1.00 0.00 H new ATOM 928 N SER A 55 -20.727 7.894 -4.205 1.00 0.00 N ATOM 929 CA SER A 55 -20.749 9.281 -4.650 1.00 0.00 C ATOM 930 C SER A 55 -19.709 9.516 -5.741 1.00 0.00 C ATOM 931 O SER A 55 -18.954 8.612 -6.097 1.00 0.00 O ATOM 932 CB SER A 55 -20.491 10.222 -3.472 1.00 0.00 C ATOM 933 OG SER A 55 -20.469 11.574 -3.894 1.00 0.00 O ATOM 0 HA SER A 55 -21.737 9.490 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 55 -21.266 10.086 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.541 9.969 -3.002 1.00 0.00 H new ATOM 0 HG SER A 55 -19.757 12.053 -3.421 1.00 0.00 H new ATOM 939 N GLU A 56 -19.678 10.736 -6.268 1.00 0.00 N ATOM 940 CA GLU A 56 -18.730 11.088 -7.319 1.00 0.00 C ATOM 941 C GLU A 56 -17.333 11.301 -6.745 1.00 0.00 C ATOM 942 O GLU A 56 -16.334 10.952 -7.372 1.00 0.00 O ATOM 943 CB GLU A 56 -19.191 12.350 -8.049 1.00 0.00 C ATOM 944 CG GLU A 56 -18.438 12.611 -9.343 1.00 0.00 C ATOM 945 CD GLU A 56 -18.071 14.073 -9.519 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.945 14.936 -9.289 1.00 0.00 O ATOM 947 OE2 GLU A 56 -16.911 14.353 -9.887 1.00 0.00 O ATOM 0 H GLU A 56 -20.297 11.496 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.689 10.261 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.255 12.265 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.069 13.208 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.530 12.008 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.049 12.289 -10.186 1.00 0.00 H new ATOM 954 N LYS A 57 -17.272 11.875 -5.547 1.00 0.00 N ATOM 955 CA LYS A 57 -15.999 12.134 -4.888 1.00 0.00 C ATOM 956 C LYS A 57 -15.453 10.863 -4.246 1.00 0.00 C ATOM 957 O LYS A 57 -14.275 10.538 -4.392 1.00 0.00 O ATOM 958 CB LYS A 57 -16.163 13.224 -3.828 1.00 0.00 C ATOM 959 CG LYS A 57 -16.003 14.633 -4.375 1.00 0.00 C ATOM 960 CD LYS A 57 -16.465 15.679 -3.369 1.00 0.00 C ATOM 961 CE LYS A 57 -15.366 16.683 -3.062 1.00 0.00 C ATOM 962 NZ LYS A 57 -14.878 17.366 -4.292 1.00 0.00 N ATOM 0 H LYS A 57 -18.090 12.169 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.289 12.474 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.148 13.130 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.429 13.064 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.958 14.809 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.577 14.734 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.337 16.202 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.776 15.186 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.740 17.426 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.534 16.173 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.520 18.311 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.112 16.807 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.660 17.458 -4.971 1.00 0.00 H new ATOM 976 N LEU A 58 -16.319 10.149 -3.535 1.00 0.00 N ATOM 977 CA LEU A 58 -15.926 8.913 -2.870 1.00 0.00 C ATOM 978 C LEU A 58 -15.408 7.898 -3.880 1.00 0.00 C ATOM 979 O LEU A 58 -14.312 7.358 -3.727 1.00 0.00 O ATOM 980 CB LEU A 58 -17.109 8.327 -2.101 1.00 0.00 C ATOM 981 CG LEU A 58 -16.851 6.969 -1.443 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.594 7.020 -0.588 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.050 6.545 -0.609 1.00 0.00 C ATOM 0 H LEU A 58 -17.298 10.405 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.124 9.143 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.407 9.036 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.952 8.227 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.700 6.228 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.427 6.046 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.739 7.278 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.714 7.773 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.849 5.578 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.232 7.286 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -18.929 6.467 -1.249 1.00 0.00 H new ATOM 995 N THR A 59 -16.198 7.647 -4.919 1.00 0.00 N ATOM 996 CA THR A 59 -15.812 6.701 -5.959 1.00 0.00 C ATOM 997 C THR A 59 -14.470 7.100 -6.565 1.00 0.00 C ATOM 998 O THR A 59 -13.628 6.249 -6.850 1.00 0.00 O ATOM 999 CB THR A 59 -16.887 6.635 -7.049 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.777 5.431 -7.788 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.825 7.784 -8.035 1.00 0.00 C ATOM 0 H THR A 59 -17.108 8.085 -5.063 1.00 0.00 H new ATOM 0 HA THR A 59 -15.713 5.713 -5.509 1.00 0.00 H new ATOM 0 HB THR A 59 -17.836 6.691 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.472 5.406 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.616 7.670 -8.777 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.959 8.727 -7.504 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.856 7.783 -8.534 1.00 0.00 H new ATOM 1009 N THR A 60 -14.279 8.404 -6.753 1.00 0.00 N ATOM 1010 CA THR A 60 -13.038 8.920 -7.316 1.00 0.00 C ATOM 1011 C THR A 60 -11.858 8.526 -6.435 1.00 0.00 C ATOM 1012 O THR A 60 -10.799 8.140 -6.931 1.00 0.00 O ATOM 1013 CB THR A 60 -13.123 10.446 -7.482 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.888 10.813 -8.829 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.142 11.220 -6.623 1.00 0.00 C ATOM 0 H THR A 60 -14.968 9.120 -6.523 1.00 0.00 H new ATOM 0 HA THR A 60 -12.885 8.482 -8.302 1.00 0.00 H new ATOM 0 HB THR A 60 -14.132 10.705 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.947 11.787 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.267 12.288 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.328 11.002 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.124 10.927 -6.879 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.056 8.604 -5.122 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.013 8.230 -4.180 1.00 0.00 C ATOM 1025 C ALA A 61 -10.798 6.735 -4.242 1.00 0.00 C ATOM 1026 O ALA A 61 -9.685 6.260 -4.463 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.376 8.654 -2.771 1.00 0.00 C ATOM 0 H ALA A 61 -12.924 8.921 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.090 8.742 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.579 8.362 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.504 9.736 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.306 8.169 -2.473 1.00 0.00 H new ATOM 1033 N MET A 62 -11.884 5.997 -4.074 1.00 0.00 N ATOM 1034 CA MET A 62 -11.830 4.553 -4.145 1.00 0.00 C ATOM 1035 C MET A 62 -11.289 4.133 -5.507 1.00 0.00 C ATOM 1036 O MET A 62 -10.733 3.047 -5.660 1.00 0.00 O ATOM 1037 CB MET A 62 -13.217 3.963 -3.915 1.00 0.00 C ATOM 1038 CG MET A 62 -13.847 4.395 -2.600 1.00 0.00 C ATOM 1039 SD MET A 62 -15.556 3.847 -2.431 1.00 0.00 S ATOM 1040 CE MET A 62 -15.483 2.269 -3.269 1.00 0.00 C ATOM 0 H MET A 62 -12.812 6.378 -3.888 1.00 0.00 H new ATOM 0 HA MET A 62 -11.166 4.176 -3.367 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.870 4.258 -4.736 1.00 0.00 H new ATOM 0 HB3 MET A 62 -13.149 2.875 -3.937 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.259 3.997 -1.773 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.809 5.482 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.285 1.627 -2.906 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.598 2.421 -4.342 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.521 1.796 -3.071 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.430 5.024 -6.491 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.925 4.755 -7.825 1.00 0.00 C ATOM 1052 C ASN A 63 -9.413 4.848 -7.800 1.00 0.00 C ATOM 1053 O ASN A 63 -8.715 3.885 -8.121 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.501 5.747 -8.838 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.762 5.235 -9.503 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.775 4.148 -10.083 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.833 6.017 -9.422 1.00 0.00 N ATOM 0 H ASN A 63 -11.887 5.929 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.231 3.755 -8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.717 6.690 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.752 5.957 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.711 5.725 -9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.777 6.910 -8.932 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.907 6.004 -7.382 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.480 6.197 -7.280 1.00 0.00 C ATOM 1066 C ARG A 64 -6.904 5.252 -6.232 1.00 0.00 C ATOM 1067 O ARG A 64 -5.714 4.946 -6.243 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.161 7.654 -6.953 1.00 0.00 C ATOM 1069 CG ARG A 64 -7.893 8.226 -5.750 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.909 9.749 -5.808 1.00 0.00 C ATOM 1071 NE ARG A 64 -8.714 10.347 -4.745 1.00 0.00 N ATOM 1072 CZ ARG A 64 -9.411 11.475 -4.885 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -9.353 12.167 -6.018 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -10.161 11.921 -3.887 1.00 0.00 N ATOM 0 H ARG A 64 -9.467 6.812 -7.112 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.016 5.966 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.088 7.744 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.396 8.265 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.915 7.847 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.408 7.896 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.887 10.122 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.298 10.067 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.744 9.873 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.772 11.836 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.889 13.029 -6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.205 11.401 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.694 12.784 -3.996 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.774 4.768 -5.342 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.376 3.828 -4.305 1.00 0.00 C ATOM 1090 C PHE A 65 -7.128 2.461 -4.920 1.00 0.00 C ATOM 1091 O PHE A 65 -6.030 1.912 -4.825 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.467 3.739 -3.242 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.045 3.072 -1.963 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.719 3.059 -1.546 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -8.996 2.468 -1.163 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.360 2.451 -0.358 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.646 1.865 0.024 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.325 1.853 0.430 1.00 0.00 C ATOM 0 H PHE A 65 -8.763 5.017 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.456 4.176 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.815 4.746 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.316 3.195 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.962 3.529 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.030 2.469 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.326 2.443 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.404 1.401 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.048 1.378 1.360 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.155 1.928 -5.572 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.052 0.638 -6.232 1.00 0.00 C ATOM 1110 C LYS A 66 -6.927 0.678 -7.264 1.00 0.00 C ATOM 1111 O LYS A 66 -6.226 -0.310 -7.477 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.408 0.291 -6.862 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.343 -0.488 -8.162 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.666 0.395 -9.358 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.482 0.512 -10.301 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.704 1.551 -11.346 1.00 0.00 N ATOM 0 H LYS A 66 -9.069 2.373 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.805 -0.144 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.987 -0.286 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.954 1.217 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.347 -0.915 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.045 -1.321 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.520 -0.017 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.955 1.387 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.586 0.757 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.302 -0.451 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.866 1.611 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.534 1.296 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.867 2.472 -10.891 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.747 1.843 -7.877 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.689 2.032 -8.859 1.00 0.00 C ATOM 1132 C ALA A 67 -4.344 2.155 -8.153 1.00 0.00 C ATOM 1133 O ALA A 67 -3.367 1.500 -8.523 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.964 3.263 -9.708 1.00 0.00 C ATOM 0 H ALA A 67 -7.321 2.670 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.660 1.165 -9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.163 3.389 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.913 3.141 -10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.013 4.143 -9.067 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.309 2.985 -7.111 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.094 3.174 -6.331 1.00 0.00 C ATOM 1142 C ALA A 68 -2.562 1.827 -5.865 1.00 0.00 C ATOM 1143 O ALA A 68 -1.355 1.629 -5.737 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.358 4.091 -5.143 1.00 0.00 C ATOM 0 H ALA A 68 -5.107 3.534 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.341 3.647 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.439 4.220 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.702 5.061 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.122 3.648 -4.504 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.483 0.895 -5.637 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.123 -0.446 -5.214 1.00 0.00 C ATOM 1152 C LEU A 69 -2.349 -1.144 -6.315 1.00 0.00 C ATOM 1153 O LEU A 69 -1.273 -1.693 -6.078 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.376 -1.242 -4.868 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.909 -0.991 -3.466 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.412 -1.210 -3.415 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.196 -1.884 -2.469 1.00 0.00 C ATOM 0 H LEU A 69 -4.486 1.049 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.494 -0.380 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.157 -1.001 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.159 -2.305 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.714 0.048 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.772 -1.025 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.903 -0.525 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.640 -2.237 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.586 -1.696 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.362 -2.929 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.127 -1.670 -2.488 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.895 -1.099 -7.529 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.245 -1.708 -8.682 1.00 0.00 C ATOM 1171 C GLU A 70 -0.764 -1.363 -8.674 1.00 0.00 C ATOM 1172 O GLU A 70 0.074 -2.166 -9.083 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.892 -1.232 -9.985 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.251 -1.860 -10.253 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.410 -2.314 -11.691 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.614 -1.448 -12.569 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -4.330 -3.536 -11.941 1.00 0.00 O ATOM 0 H GLU A 70 -3.785 -0.647 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.364 -2.790 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.002 -0.148 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.225 -1.460 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.390 -2.713 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.033 -1.140 -10.015 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.447 -0.170 -8.174 1.00 0.00 N ATOM 1185 CA GLU A 71 0.940 0.259 -8.078 1.00 0.00 C ATOM 1186 C GLU A 71 1.693 -0.674 -7.135 1.00 0.00 C ATOM 1187 O GLU A 71 2.673 -1.306 -7.526 1.00 0.00 O ATOM 1188 CB GLU A 71 1.031 1.700 -7.582 1.00 0.00 C ATOM 1189 CG GLU A 71 2.399 2.322 -7.801 1.00 0.00 C ATOM 1190 CD GLU A 71 2.628 2.738 -9.241 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.676 3.246 -9.871 1.00 0.00 O ATOM 1192 OE2 GLU A 71 3.759 2.555 -9.739 1.00 0.00 O ATOM 0 H GLU A 71 -1.128 0.509 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 71 1.392 0.217 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.279 2.302 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.792 1.727 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.506 3.193 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.169 1.609 -7.506 1.00 0.00 H new ATOM 1199 N ALA A 72 1.209 -0.779 -5.896 1.00 0.00 N ATOM 1200 CA ALA A 72 1.821 -1.662 -4.913 1.00 0.00 C ATOM 1201 C ALA A 72 1.790 -3.096 -5.425 1.00 0.00 C ATOM 1202 O ALA A 72 2.804 -3.794 -5.418 1.00 0.00 O ATOM 1203 CB ALA A 72 1.097 -1.557 -3.578 1.00 0.00 C ATOM 0 H ALA A 72 0.398 -0.264 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 72 2.857 -1.361 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.568 -2.224 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.151 -0.531 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.053 -1.841 -3.707 1.00 0.00 H new ATOM 1209 N ASN A 73 0.616 -3.520 -5.886 1.00 0.00 N ATOM 1210 CA ASN A 73 0.440 -4.861 -6.429 1.00 0.00 C ATOM 1211 C ASN A 73 1.439 -5.112 -7.552 1.00 0.00 C ATOM 1212 O ASN A 73 2.073 -6.165 -7.616 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.985 -5.034 -6.959 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.225 -6.412 -7.543 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -1.189 -6.599 -8.759 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.473 -7.384 -6.675 1.00 0.00 N ATOM 0 H ASN A 73 -0.230 -2.950 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 73 0.614 -5.582 -5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.694 -4.858 -6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.179 -4.281 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.644 -8.333 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.493 -7.182 -5.675 1.00 0.00 H new ATOM 1223 N GLY A 74 1.577 -4.125 -8.432 1.00 0.00 N ATOM 1224 CA GLY A 74 2.502 -4.242 -9.541 1.00 0.00 C ATOM 1225 C GLY A 74 3.944 -4.177 -9.083 1.00 0.00 C ATOM 1226 O GLY A 74 4.791 -4.926 -9.566 1.00 0.00 O ATOM 0 H GLY A 74 1.063 -3.245 -8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.328 -5.184 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.312 -3.443 -10.258 1.00 0.00 H new ATOM 1230 N GLU A 75 4.217 -3.283 -8.140 1.00 0.00 N ATOM 1231 CA GLU A 75 5.560 -3.129 -7.602 1.00 0.00 C ATOM 1232 C GLU A 75 5.980 -4.398 -6.871 1.00 0.00 C ATOM 1233 O GLU A 75 7.101 -4.880 -7.031 1.00 0.00 O ATOM 1234 CB GLU A 75 5.621 -1.926 -6.655 1.00 0.00 C ATOM 1235 CG GLU A 75 5.553 -0.586 -7.367 1.00 0.00 C ATOM 1236 CD GLU A 75 6.833 -0.250 -8.109 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.737 -1.111 -8.153 1.00 0.00 O ATOM 1238 OE2 GLU A 75 6.932 0.876 -8.642 1.00 0.00 O ATOM 0 H GLU A 75 3.525 -2.654 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 75 6.249 -2.955 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.797 -1.992 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.545 -1.975 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.722 -0.596 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.344 0.197 -6.638 1.00 0.00 H new ATOM 1245 N ILE A 76 5.063 -4.937 -6.074 1.00 0.00 N ATOM 1246 CA ILE A 76 5.320 -6.156 -5.322 1.00 0.00 C ATOM 1247 C ILE A 76 5.435 -7.355 -6.259 1.00 0.00 C ATOM 1248 O ILE A 76 6.237 -8.260 -6.032 1.00 0.00 O ATOM 1249 CB ILE A 76 4.201 -6.418 -4.292 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.145 -5.282 -3.271 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.416 -7.756 -3.593 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.787 -5.124 -2.621 1.00 0.00 C ATOM 0 H ILE A 76 4.132 -4.545 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 76 6.263 -6.022 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 76 3.248 -6.459 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.891 -5.462 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.415 -4.348 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.617 -7.922 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.410 -8.558 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.376 -7.746 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.819 -4.300 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.040 -4.913 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.523 -6.045 -2.100 1.00 0.00 H new ATOM 1264 N GLU A 77 4.627 -7.353 -7.314 1.00 0.00 N ATOM 1265 CA GLU A 77 4.639 -8.439 -8.285 1.00 0.00 C ATOM 1266 C GLU A 77 5.845 -8.322 -9.211 1.00 0.00 C ATOM 1267 O GLU A 77 6.453 -9.325 -9.585 1.00 0.00 O ATOM 1268 CB GLU A 77 3.346 -8.432 -9.104 1.00 0.00 C ATOM 1269 CG GLU A 77 3.331 -9.456 -10.228 1.00 0.00 C ATOM 1270 CD GLU A 77 2.132 -9.301 -11.142 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.707 -8.149 -11.374 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.618 -10.331 -11.627 1.00 0.00 O ATOM 0 H GLU A 77 3.956 -6.612 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 77 4.710 -9.382 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.504 -8.623 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.199 -7.438 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.245 -9.360 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.330 -10.459 -9.801 1.00 0.00 H new ATOM 1279 N LYS A 78 6.183 -7.092 -9.580 1.00 0.00 N ATOM 1280 CA LYS A 78 7.315 -6.845 -10.464 1.00 0.00 C ATOM 1281 C LYS A 78 8.640 -7.032 -9.729 1.00 0.00 C ATOM 1282 O LYS A 78 9.680 -7.238 -10.355 1.00 0.00 O ATOM 1283 CB LYS A 78 7.235 -5.431 -11.043 1.00 0.00 C ATOM 1284 CG LYS A 78 8.086 -5.235 -12.287 1.00 0.00 C ATOM 1285 CD LYS A 78 8.596 -3.806 -12.394 1.00 0.00 C ATOM 1286 CE LYS A 78 9.764 -3.559 -11.452 1.00 0.00 C ATOM 1287 NZ LYS A 78 11.068 -3.557 -12.172 1.00 0.00 N ATOM 0 H LYS A 78 5.690 -6.251 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 78 7.270 -7.569 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.196 -5.204 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.549 -4.717 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.931 -5.923 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.500 -5.481 -13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.906 -3.605 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.788 -3.112 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.627 -2.603 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.777 -4.328 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.838 -3.385 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.211 -4.478 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.066 -2.806 -12.892 1.00 0.00 H new ATOM 1301 N PHE A 79 8.599 -6.953 -8.402 1.00 0.00 N ATOM 1302 CA PHE A 79 9.802 -7.109 -7.596 1.00 0.00 C ATOM 1303 C PHE A 79 9.910 -8.516 -7.018 1.00 0.00 C ATOM 1304 O PHE A 79 10.683 -8.755 -6.091 1.00 0.00 O ATOM 1305 CB PHE A 79 9.807 -6.079 -6.469 1.00 0.00 C ATOM 1306 CG PHE A 79 10.318 -4.737 -6.902 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.509 -4.633 -7.598 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.607 -3.584 -6.617 1.00 0.00 C ATOM 1309 CE1 PHE A 79 11.983 -3.403 -8.001 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.077 -2.349 -7.017 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.267 -2.257 -7.711 1.00 0.00 C ATOM 0 H PHE A 79 7.749 -6.783 -7.865 1.00 0.00 H new ATOM 0 HA PHE A 79 10.664 -6.947 -8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.794 -5.968 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.423 -6.449 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.073 -5.525 -7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.675 -3.651 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.914 -3.335 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.515 -1.456 -6.787 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.637 -1.293 -8.026 1.00 0.00 H new ATOM 1321 N SER A 80 9.140 -9.448 -7.572 1.00 0.00 N ATOM 1322 CA SER A 80 9.165 -10.826 -7.103 1.00 0.00 C ATOM 1323 C SER A 80 10.451 -11.518 -7.545 1.00 0.00 C ATOM 1324 O SER A 80 10.959 -12.404 -6.858 1.00 0.00 O ATOM 1325 CB SER A 80 7.950 -11.592 -7.629 1.00 0.00 C ATOM 1326 OG SER A 80 7.777 -11.381 -9.019 1.00 0.00 O ATOM 0 H SER A 80 8.495 -9.274 -8.342 1.00 0.00 H new ATOM 0 HA SER A 80 9.129 -10.817 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.074 -12.657 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.055 -11.272 -7.095 1.00 0.00 H new ATOM 0 HG SER A 80 7.006 -10.795 -9.167 1.00 0.00 H new ATOM 1332 N ASN A 81 10.974 -11.100 -8.693 1.00 0.00 N ATOM 1333 CA ASN A 81 12.202 -11.673 -9.228 1.00 0.00 C ATOM 1334 C ASN A 81 13.422 -11.010 -8.595 1.00 0.00 C ATOM 1335 O ASN A 81 13.577 -9.791 -8.653 1.00 0.00 O ATOM 1336 CB ASN A 81 12.247 -11.512 -10.749 1.00 0.00 C ATOM 1337 CG ASN A 81 12.641 -12.794 -11.455 1.00 0.00 C ATOM 1338 OD1 ASN A 81 13.163 -13.722 -10.836 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.391 -12.853 -12.758 1.00 0.00 N ATOM 0 H ASN A 81 10.565 -10.365 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 81 12.218 -12.736 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.269 -11.190 -11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.956 -10.726 -11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.633 -13.691 -13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.957 -12.060 -13.230 1.00 0.00 H new ATOM 1346 N ARG A 82 14.284 -11.821 -7.990 1.00 0.00 N ATOM 1347 CA ARG A 82 15.490 -11.314 -7.344 1.00 0.00 C ATOM 1348 C ARG A 82 16.314 -10.466 -8.308 1.00 0.00 C ATOM 1349 O ARG A 82 17.007 -9.535 -7.895 1.00 0.00 O ATOM 1350 CB ARG A 82 16.336 -12.475 -6.819 1.00 0.00 C ATOM 1351 CG ARG A 82 16.826 -13.415 -7.910 1.00 0.00 C ATOM 1352 CD ARG A 82 18.323 -13.664 -7.813 1.00 0.00 C ATOM 1353 NE ARG A 82 18.623 -15.004 -7.313 1.00 0.00 N ATOM 1354 CZ ARG A 82 19.794 -15.613 -7.481 1.00 0.00 C ATOM 1355 NH1 ARG A 82 20.779 -15.008 -8.134 1.00 0.00 N ATOM 1356 NH2 ARG A 82 19.982 -16.833 -6.996 1.00 0.00 N ATOM 0 H ARG A 82 14.170 -12.833 -7.933 1.00 0.00 H new ATOM 0 HA ARG A 82 15.185 -10.685 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.197 -12.073 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.749 -13.044 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.295 -14.364 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.591 -12.992 -8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.777 -13.533 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.772 -12.922 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 82 17.892 -15.502 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.641 -14.070 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 82 21.674 -15.481 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.229 -17.304 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.880 -17.300 -7.125 1.00 0.00 H new ATOM 1370 N SER A 83 16.234 -10.790 -9.594 1.00 0.00 N ATOM 1371 CA SER A 83 16.971 -10.056 -10.614 1.00 0.00 C ATOM 1372 C SER A 83 16.494 -8.609 -10.691 1.00 0.00 C ATOM 1373 O SER A 83 17.260 -7.710 -11.039 1.00 0.00 O ATOM 1374 CB SER A 83 16.811 -10.732 -11.977 1.00 0.00 C ATOM 1375 OG SER A 83 17.592 -10.081 -12.964 1.00 0.00 O ATOM 0 H SER A 83 15.666 -11.557 -9.954 1.00 0.00 H new ATOM 0 HA SER A 83 18.026 -10.059 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.109 -11.778 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.762 -10.719 -12.272 1.00 0.00 H new ATOM 0 HG SER A 83 17.474 -10.533 -13.825 1.00 0.00 H new ATOM 1381 N ASN A 84 15.225 -8.393 -10.364 1.00 0.00 N ATOM 1382 CA ASN A 84 14.645 -7.056 -10.394 1.00 0.00 C ATOM 1383 C ASN A 84 14.932 -6.309 -9.096 1.00 0.00 C ATOM 1384 O ASN A 84 15.097 -5.090 -9.094 1.00 0.00 O ATOM 1385 CB ASN A 84 13.135 -7.137 -10.626 1.00 0.00 C ATOM 1386 CG ASN A 84 12.783 -7.944 -11.862 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.616 -8.144 -12.745 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.542 -8.412 -11.930 1.00 0.00 N ATOM 0 H ASN A 84 14.578 -9.127 -10.075 1.00 0.00 H new ATOM 0 HA ASN A 84 15.103 -6.507 -11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.660 -7.587 -9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.731 -6.130 -10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.248 -8.961 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.883 -8.222 -11.175 1.00 0.00 H new ATOM 1395 N ILE A 85 14.988 -7.048 -7.993 1.00 0.00 N ATOM 1396 CA ILE A 85 15.253 -6.455 -6.687 1.00 0.00 C ATOM 1397 C ILE A 85 16.693 -5.960 -6.590 1.00 0.00 C ATOM 1398 O ILE A 85 16.940 -4.759 -6.486 1.00 0.00 O ATOM 1399 CB ILE A 85 14.982 -7.470 -5.555 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.479 -7.747 -5.448 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.541 -6.973 -4.225 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.696 -6.647 -4.758 1.00 0.00 C ATOM 0 H ILE A 85 14.853 -8.059 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 85 14.579 -5.606 -6.573 1.00 0.00 H new ATOM 0 HB ILE A 85 15.492 -8.402 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.075 -7.893 -6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.330 -8.680 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.335 -7.708 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.618 -6.830 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.069 -6.026 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.641 -6.919 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.071 -6.515 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.812 -5.715 -5.312 1.00 0.00 H new ATOM 1414 N CYS A 86 17.641 -6.892 -6.626 1.00 0.00 N ATOM 1415 CA CYS A 86 19.058 -6.549 -6.543 1.00 0.00 C ATOM 1416 C CYS A 86 19.401 -5.419 -7.511 1.00 0.00 C ATOM 1417 O CYS A 86 20.321 -4.637 -7.267 1.00 0.00 O ATOM 1418 CB CYS A 86 19.921 -7.776 -6.842 1.00 0.00 C ATOM 1419 SG CYS A 86 19.668 -8.471 -8.492 1.00 0.00 S ATOM 0 H CYS A 86 17.454 -7.891 -6.712 1.00 0.00 H new ATOM 0 HA CYS A 86 19.266 -6.209 -5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 86 20.971 -7.505 -6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 86 19.710 -8.545 -6.099 1.00 0.00 H new ATOM 0 HG CYS A 86 18.574 -9.173 -8.504 1.00 0.00 H new ATOM 1425 N ARG A 87 18.651 -5.340 -8.604 1.00 0.00 N ATOM 1426 CA ARG A 87 18.868 -4.305 -9.607 1.00 0.00 C ATOM 1427 C ARG A 87 18.247 -2.984 -9.162 1.00 0.00 C ATOM 1428 O ARG A 87 18.855 -1.924 -9.302 1.00 0.00 O ATOM 1429 CB ARG A 87 18.273 -4.736 -10.948 1.00 0.00 C ATOM 1430 CG ARG A 87 19.271 -5.437 -11.859 1.00 0.00 C ATOM 1431 CD ARG A 87 19.403 -4.729 -13.199 1.00 0.00 C ATOM 1432 NE ARG A 87 20.751 -4.205 -13.409 1.00 0.00 N ATOM 1433 CZ ARG A 87 21.785 -4.950 -13.791 1.00 0.00 C ATOM 1434 NH1 ARG A 87 21.632 -6.250 -14.007 1.00 0.00 N ATOM 1435 NH2 ARG A 87 22.977 -4.393 -13.957 1.00 0.00 N ATOM 0 H ARG A 87 17.887 -5.981 -8.818 1.00 0.00 H new ATOM 0 HA ARG A 87 19.942 -4.161 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.430 -5.402 -10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.880 -3.858 -11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.245 -5.476 -11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.954 -6.467 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.154 -5.423 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.684 -3.911 -13.250 1.00 0.00 H new ATOM 0 HE ARG A 87 20.908 -3.209 -13.254 1.00 0.00 H new ATOM 0 HH11 ARG A 87 20.718 -6.684 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.429 -6.816 -14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 87 23.101 -3.394 -13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 87 23.770 -4.964 -14.250 1.00 0.00 H new ATOM 1449 N PHE A 88 17.032 -3.058 -8.627 1.00 0.00 N ATOM 1450 CA PHE A 88 16.330 -1.868 -8.163 1.00 0.00 C ATOM 1451 C PHE A 88 17.086 -1.213 -7.008 1.00 0.00 C ATOM 1452 O PHE A 88 17.080 0.010 -6.866 1.00 0.00 O ATOM 1453 CB PHE A 88 14.891 -2.231 -7.755 1.00 0.00 C ATOM 1454 CG PHE A 88 14.518 -1.850 -6.347 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.444 -0.519 -5.966 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.248 -2.828 -5.405 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.112 -0.174 -4.670 1.00 0.00 C ATOM 1458 CE2 PHE A 88 13.915 -2.490 -4.112 1.00 0.00 C ATOM 1459 CZ PHE A 88 13.849 -1.162 -3.741 1.00 0.00 C ATOM 0 H PHE A 88 16.515 -3.928 -8.505 1.00 0.00 H new ATOM 0 HA PHE A 88 16.282 -1.145 -8.977 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.200 -1.745 -8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.755 -3.306 -7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.648 0.256 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.299 -3.869 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.058 0.866 -4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.706 -3.264 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.592 -0.896 -2.726 1.00 0.00 H new ATOM 1469 N LEU A 89 17.734 -2.031 -6.185 1.00 0.00 N ATOM 1470 CA LEU A 89 18.490 -1.520 -5.046 1.00 0.00 C ATOM 1471 C LEU A 89 19.712 -0.739 -5.515 1.00 0.00 C ATOM 1472 O LEU A 89 19.821 0.464 -5.280 1.00 0.00 O ATOM 1473 CB LEU A 89 18.928 -2.666 -4.130 1.00 0.00 C ATOM 1474 CG LEU A 89 17.802 -3.572 -3.618 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.323 -4.514 -2.544 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.643 -2.744 -3.083 1.00 0.00 C ATOM 0 H LEU A 89 17.751 -3.046 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 89 17.838 -0.850 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.649 -3.282 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.448 -2.242 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 89 17.438 -4.168 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.510 -5.150 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.116 -5.136 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.716 -3.933 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.856 -3.408 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.992 -2.119 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.250 -2.111 -3.879 1.00 0.00 H new ATOM 1488 N THR A 90 20.631 -1.431 -6.183 1.00 0.00 N ATOM 1489 CA THR A 90 21.845 -0.800 -6.688 1.00 0.00 C ATOM 1490 C THR A 90 21.501 0.333 -7.649 1.00 0.00 C ATOM 1491 O THR A 90 22.015 1.445 -7.523 1.00 0.00 O ATOM 1492 CB THR A 90 22.728 -1.832 -7.391 1.00 0.00 C ATOM 1493 OG1 THR A 90 23.079 -2.879 -6.503 1.00 0.00 O ATOM 1494 CG2 THR A 90 24.012 -1.248 -7.941 1.00 0.00 C ATOM 0 H THR A 90 20.558 -2.428 -6.387 1.00 0.00 H new ATOM 0 HA THR A 90 22.392 -0.385 -5.842 1.00 0.00 H new ATOM 0 HB THR A 90 22.131 -2.203 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 90 23.642 -3.530 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 90 24.591 -2.034 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 90 23.776 -0.470 -8.667 1.00 0.00 H new ATOM 0 HG23 THR A 90 24.595 -0.819 -7.126 1.00 0.00 H new ATOM 1502 N ALA A 91 20.626 0.044 -8.604 1.00 0.00 N ATOM 1503 CA ALA A 91 20.206 1.036 -9.584 1.00 0.00 C ATOM 1504 C ALA A 91 19.395 2.143 -8.922 1.00 0.00 C ATOM 1505 O ALA A 91 19.427 3.295 -9.355 1.00 0.00 O ATOM 1506 CB ALA A 91 19.395 0.375 -10.688 1.00 0.00 C ATOM 0 H ALA A 91 20.193 -0.872 -8.720 1.00 0.00 H new ATOM 0 HA ALA A 91 21.098 1.483 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.087 1.128 -11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.004 -0.380 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.512 -0.097 -10.258 1.00 0.00 H new ATOM 1512 N SER A 92 18.666 1.784 -7.870 1.00 0.00 N ATOM 1513 CA SER A 92 17.843 2.744 -7.145 1.00 0.00 C ATOM 1514 C SER A 92 16.756 3.318 -8.046 1.00 0.00 C ATOM 1515 O SER A 92 16.844 4.464 -8.489 1.00 0.00 O ATOM 1516 CB SER A 92 18.712 3.873 -6.588 1.00 0.00 C ATOM 1517 OG SER A 92 17.932 4.807 -5.863 1.00 0.00 O ATOM 0 H SER A 92 18.629 0.834 -7.501 1.00 0.00 H new ATOM 0 HA SER A 92 17.363 2.223 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.482 3.457 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.224 4.380 -7.406 1.00 0.00 H new ATOM 0 HG SER A 92 18.257 5.714 -6.043 1.00 0.00 H new ATOM 1523 N GLN A 93 15.730 2.516 -8.316 1.00 0.00 N ATOM 1524 CA GLN A 93 14.627 2.951 -9.165 1.00 0.00 C ATOM 1525 C GLN A 93 13.866 4.097 -8.511 1.00 0.00 C ATOM 1526 O GLN A 93 13.676 5.151 -9.117 1.00 0.00 O ATOM 1527 CB GLN A 93 13.680 1.787 -9.448 1.00 0.00 C ATOM 1528 CG GLN A 93 14.398 0.483 -9.744 1.00 0.00 C ATOM 1529 CD GLN A 93 13.526 -0.510 -10.487 1.00 0.00 C ATOM 1530 OE1 GLN A 93 12.412 -0.817 -10.062 1.00 0.00 O ATOM 1531 NE2 GLN A 93 14.030 -1.019 -11.605 1.00 0.00 N ATOM 0 H GLN A 93 15.640 1.564 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 93 15.042 3.303 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.024 1.645 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.044 2.043 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.290 0.690 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.733 0.037 -8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.958 -0.737 -11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.489 -1.692 -12.148 1.00 0.00 H new ATOM 1540 N ASP A 94 13.439 3.892 -7.268 1.00 0.00 N ATOM 1541 CA ASP A 94 12.712 4.922 -6.541 1.00 0.00 C ATOM 1542 C ASP A 94 13.311 5.125 -5.154 1.00 0.00 C ATOM 1543 O ASP A 94 12.693 5.743 -4.287 1.00 0.00 O ATOM 1544 CB ASP A 94 11.235 4.542 -6.422 1.00 0.00 C ATOM 1545 CG ASP A 94 10.410 5.057 -7.584 1.00 0.00 C ATOM 1546 OD1 ASP A 94 10.434 4.421 -8.658 1.00 0.00 O ATOM 1547 OD2 ASP A 94 9.737 6.097 -7.419 1.00 0.00 O ATOM 0 H ASP A 94 13.584 3.027 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 94 12.795 5.857 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.145 3.457 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.834 4.941 -5.490 1.00 0.00 H new ATOM 1552 N LYS A 95 14.511 4.576 -4.943 1.00 0.00 N ATOM 1553 CA LYS A 95 15.190 4.673 -3.658 1.00 0.00 C ATOM 1554 C LYS A 95 14.470 3.837 -2.604 1.00 0.00 C ATOM 1555 O LYS A 95 14.944 3.710 -1.477 1.00 0.00 O ATOM 1556 CB LYS A 95 15.287 6.132 -3.197 1.00 0.00 C ATOM 1557 CG LYS A 95 16.573 6.822 -3.630 1.00 0.00 C ATOM 1558 CD LYS A 95 16.306 8.217 -4.180 1.00 0.00 C ATOM 1559 CE LYS A 95 16.878 8.386 -5.578 1.00 0.00 C ATOM 1560 NZ LYS A 95 16.088 7.640 -6.597 1.00 0.00 N ATOM 0 H LYS A 95 15.030 4.059 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 95 16.200 4.284 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.436 6.687 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.214 6.167 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.253 6.890 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.071 6.220 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.232 8.401 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.744 8.961 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.896 9.445 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.910 8.037 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.511 7.782 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.091 6.626 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.109 7.991 -6.602 1.00 0.00 H new ATOM 1574 N ILE A 96 13.322 3.265 -2.981 1.00 0.00 N ATOM 1575 CA ILE A 96 12.535 2.445 -2.076 1.00 0.00 C ATOM 1576 C ILE A 96 11.600 1.519 -2.850 1.00 0.00 C ATOM 1577 O ILE A 96 10.909 1.943 -3.776 1.00 0.00 O ATOM 1578 CB ILE A 96 11.686 3.306 -1.125 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.539 4.392 -0.464 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.000 2.432 -0.083 1.00 0.00 C ATOM 1581 CD1 ILE A 96 11.807 5.176 0.596 1.00 0.00 C ATOM 0 H ILE A 96 12.922 3.360 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 96 13.244 1.856 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 96 10.912 3.804 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.419 3.929 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.895 5.080 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.404 3.058 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.352 1.712 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.753 1.900 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.474 5.927 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.942 5.669 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.475 4.500 1.384 1.00 0.00 H new ATOM 1593 N LEU A 97 11.595 0.255 -2.449 1.00 0.00 N ATOM 1594 CA LEU A 97 10.762 -0.784 -3.062 1.00 0.00 C ATOM 1595 C LEU A 97 9.425 -0.238 -3.584 1.00 0.00 C ATOM 1596 O LEU A 97 9.122 -0.366 -4.771 1.00 0.00 O ATOM 1597 CB LEU A 97 10.510 -1.897 -2.037 1.00 0.00 C ATOM 1598 CG LEU A 97 10.195 -3.287 -2.608 1.00 0.00 C ATOM 1599 CD1 LEU A 97 9.135 -3.196 -3.686 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.452 -3.953 -3.151 1.00 0.00 C ATOM 0 H LEU A 97 12.173 -0.087 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 97 11.301 -1.175 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.390 -1.980 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.681 -1.593 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 97 9.809 -3.903 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.927 -4.192 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.223 -2.774 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.491 -2.556 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.200 -4.936 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.876 -3.338 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.181 -4.063 -2.348 1.00 0.00 H new ATOM 1612 N PHE A 98 8.616 0.353 -2.700 1.00 0.00 N ATOM 1613 CA PHE A 98 7.312 0.885 -3.107 1.00 0.00 C ATOM 1614 C PHE A 98 7.079 2.315 -2.612 1.00 0.00 C ATOM 1615 O PHE A 98 5.972 2.662 -2.199 1.00 0.00 O ATOM 1616 CB PHE A 98 6.190 -0.028 -2.612 1.00 0.00 C ATOM 1617 CG PHE A 98 5.980 0.015 -1.127 1.00 0.00 C ATOM 1618 CD1 PHE A 98 6.953 -0.455 -0.265 1.00 0.00 C ATOM 1619 CD2 PHE A 98 4.807 0.522 -0.598 1.00 0.00 C ATOM 1620 CE1 PHE A 98 6.761 -0.423 1.102 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.607 0.559 0.768 1.00 0.00 C ATOM 1622 CZ PHE A 98 5.586 0.086 1.619 1.00 0.00 C ATOM 0 H PHE A 98 8.836 0.474 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 98 7.308 0.916 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.261 0.253 -3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.412 -1.053 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.874 -0.852 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.039 0.893 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.528 -0.795 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.687 0.957 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.433 0.114 2.688 1.00 0.00 H new ATOM 1632 N LYS A 99 8.114 3.145 -2.676 1.00 0.00 N ATOM 1633 CA LYS A 99 8.007 4.538 -2.255 1.00 0.00 C ATOM 1634 C LYS A 99 6.917 5.248 -3.051 1.00 0.00 C ATOM 1635 O LYS A 99 6.032 5.889 -2.484 1.00 0.00 O ATOM 1636 CB LYS A 99 9.356 5.248 -2.438 1.00 0.00 C ATOM 1637 CG LYS A 99 9.267 6.628 -3.066 1.00 0.00 C ATOM 1638 CD LYS A 99 10.513 7.452 -2.777 1.00 0.00 C ATOM 1639 CE LYS A 99 10.802 8.440 -3.896 1.00 0.00 C ATOM 1640 NZ LYS A 99 11.171 9.784 -3.371 1.00 0.00 N ATOM 0 H LYS A 99 9.038 2.878 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 99 7.738 4.568 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.839 5.337 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.999 4.623 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.135 6.531 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.389 7.148 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.384 7.992 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.367 6.788 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.612 8.058 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.925 8.529 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.360 10.427 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.388 10.160 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.023 9.704 -2.780 1.00 0.00 H new ATOM 1654 N ASP A 100 6.989 5.123 -4.372 1.00 0.00 N ATOM 1655 CA ASP A 100 6.011 5.746 -5.252 1.00 0.00 C ATOM 1656 C ASP A 100 4.595 5.326 -4.873 1.00 0.00 C ATOM 1657 O ASP A 100 3.632 6.024 -5.178 1.00 0.00 O ATOM 1658 CB ASP A 100 6.293 5.371 -6.707 1.00 0.00 C ATOM 1659 CG ASP A 100 5.641 6.324 -7.689 1.00 0.00 C ATOM 1660 OD1 ASP A 100 6.276 7.341 -8.039 1.00 0.00 O ATOM 1661 OD2 ASP A 100 4.494 6.055 -8.106 1.00 0.00 O ATOM 0 H ASP A 100 7.716 4.595 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 100 6.093 6.827 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.370 5.363 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.933 4.359 -6.894 1.00 0.00 H new ATOM 1666 N VAL A 101 4.477 4.179 -4.212 1.00 0.00 N ATOM 1667 CA VAL A 101 3.179 3.664 -3.797 1.00 0.00 C ATOM 1668 C VAL A 101 2.799 4.170 -2.423 1.00 0.00 C ATOM 1669 O VAL A 101 1.841 4.922 -2.287 1.00 0.00 O ATOM 1670 CB VAL A 101 3.167 2.133 -3.811 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.764 1.598 -3.565 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.708 1.657 -5.137 1.00 0.00 C ATOM 0 H VAL A 101 5.267 3.588 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 101 2.442 4.028 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 101 3.798 1.755 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.782 0.508 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.409 1.942 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.094 1.960 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.705 0.567 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.082 2.039 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.728 2.020 -5.265 1.00 0.00 H new ATOM 1682 N ASN A 102 3.562 3.800 -1.396 1.00 0.00 N ATOM 1683 CA ASN A 102 3.270 4.288 -0.053 1.00 0.00 C ATOM 1684 C ASN A 102 3.073 5.801 -0.105 1.00 0.00 C ATOM 1685 O ASN A 102 2.374 6.381 0.722 1.00 0.00 O ATOM 1686 CB ASN A 102 4.394 3.931 0.925 1.00 0.00 C ATOM 1687 CG ASN A 102 5.774 4.198 0.364 1.00 0.00 C ATOM 1688 OD1 ASN A 102 6.063 5.298 -0.104 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.636 3.187 0.418 1.00 0.00 N ATOM 0 H ASN A 102 4.368 3.179 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 102 2.359 3.809 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.264 4.504 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.314 2.877 1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.584 3.306 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.349 2.293 0.816 1.00 0.00 H new ATOM 1696 N ARG A 103 3.682 6.422 -1.118 1.00 0.00 N ATOM 1697 CA ARG A 103 3.565 7.852 -1.327 1.00 0.00 C ATOM 1698 C ARG A 103 2.247 8.183 -2.022 1.00 0.00 C ATOM 1699 O ARG A 103 1.516 9.070 -1.577 1.00 0.00 O ATOM 1700 CB ARG A 103 4.735 8.366 -2.163 1.00 0.00 C ATOM 1701 CG ARG A 103 6.054 8.410 -1.407 1.00 0.00 C ATOM 1702 CD ARG A 103 6.233 9.730 -0.672 1.00 0.00 C ATOM 1703 NE ARG A 103 7.553 10.311 -0.906 1.00 0.00 N ATOM 1704 CZ ARG A 103 8.101 11.244 -0.130 1.00 0.00 C ATOM 1705 NH1 ARG A 103 7.448 11.702 0.931 1.00 0.00 N ATOM 1706 NH2 ARG A 103 9.305 11.720 -0.415 1.00 0.00 N ATOM 0 H ARG A 103 4.264 5.945 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 103 3.584 8.343 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.850 7.730 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.500 9.367 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.093 7.587 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.879 8.266 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.465 10.432 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.090 9.572 0.397 1.00 0.00 H new ATOM 0 HE ARG A 103 8.086 9.983 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.522 11.339 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.873 12.417 1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.812 11.372 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.725 12.435 0.179 1.00 0.00 H new ATOM 1720 N LYS A 104 1.925 7.467 -3.110 1.00 0.00 N ATOM 1721 CA LYS A 104 0.675 7.724 -3.812 1.00 0.00 C ATOM 1722 C LYS A 104 -0.469 7.048 -3.070 1.00 0.00 C ATOM 1723 O LYS A 104 -1.493 7.663 -2.781 1.00 0.00 O ATOM 1724 CB LYS A 104 0.787 7.251 -5.273 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.279 6.260 -5.738 1.00 0.00 C ATOM 1726 CD LYS A 104 0.344 5.061 -6.437 1.00 0.00 C ATOM 1727 CE LYS A 104 1.385 5.484 -7.462 1.00 0.00 C ATOM 1728 NZ LYS A 104 0.935 6.656 -8.262 1.00 0.00 N ATOM 0 H LYS A 104 2.501 6.726 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 104 0.468 8.794 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.749 8.126 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.766 6.793 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.861 5.921 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.971 6.759 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.807 4.408 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.437 4.481 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.317 5.729 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.597 4.649 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.318 6.586 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.104 6.671 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.277 7.532 -7.817 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.260 5.778 -2.752 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.233 4.978 -2.025 1.00 0.00 C ATOM 1744 C LEU A 105 -1.671 5.687 -0.743 1.00 0.00 C ATOM 1745 O LEU A 105 -2.831 5.602 -0.338 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.618 3.613 -1.699 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.582 2.576 -1.130 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -0.997 1.178 -1.244 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.906 2.903 0.315 1.00 0.00 C ATOM 0 H LEU A 105 0.593 5.273 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.117 4.839 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.172 3.209 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.192 3.760 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.504 2.604 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.701 0.454 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.810 0.946 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.060 1.129 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.595 2.157 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.989 2.899 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.368 3.889 0.370 1.00 0.00 H new ATOM 1761 N SER A 106 -0.734 6.392 -0.109 1.00 0.00 N ATOM 1762 CA SER A 106 -1.028 7.117 1.125 1.00 0.00 C ATOM 1763 C SER A 106 -2.008 8.253 0.866 1.00 0.00 C ATOM 1764 O SER A 106 -3.087 8.304 1.457 1.00 0.00 O ATOM 1765 CB SER A 106 0.258 7.679 1.735 1.00 0.00 C ATOM 1766 OG SER A 106 -0.027 8.690 2.687 1.00 0.00 O ATOM 0 H SER A 106 0.231 6.476 -0.429 1.00 0.00 H new ATOM 0 HA SER A 106 -1.480 6.415 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.820 6.875 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.890 8.086 0.946 1.00 0.00 H new ATOM 0 HG SER A 106 0.811 9.031 3.063 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.622 9.163 -0.020 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.459 10.308 -0.364 1.00 0.00 C ATOM 1774 C ASP A 107 -3.885 9.875 -0.675 1.00 0.00 C ATOM 1775 O ASP A 107 -4.841 10.606 -0.410 1.00 0.00 O ATOM 1776 CB ASP A 107 -1.878 11.031 -1.574 1.00 0.00 C ATOM 1777 CG ASP A 107 -0.690 11.901 -1.217 1.00 0.00 C ATOM 1778 OD1 ASP A 107 0.339 11.349 -0.771 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -0.786 13.135 -1.385 1.00 0.00 O ATOM 0 H ASP A 107 -0.731 9.131 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.479 10.978 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.575 10.297 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.652 11.648 -2.030 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.019 8.687 -1.245 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.326 8.156 -1.601 1.00 0.00 C ATOM 1786 C VAL A 108 -6.198 8.001 -0.375 1.00 0.00 C ATOM 1787 O VAL A 108 -7.326 8.485 -0.345 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.221 6.788 -2.294 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.489 6.478 -3.072 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.006 6.736 -3.196 1.00 0.00 C ATOM 0 H VAL A 108 -3.238 8.072 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.771 8.873 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.104 6.025 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.392 5.505 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.339 6.462 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.647 7.244 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.951 5.759 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.085 7.511 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.106 6.900 -2.604 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.676 7.324 0.642 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.448 7.130 1.865 1.00 0.00 C ATOM 1802 C TRP A 109 -6.771 8.478 2.494 1.00 0.00 C ATOM 1803 O TRP A 109 -7.850 8.672 3.050 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.726 6.243 2.883 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.524 6.086 4.146 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.103 6.303 5.425 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -7.901 5.705 4.237 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.137 6.082 6.307 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.253 5.713 5.600 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.870 5.359 3.294 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.539 5.389 6.037 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.140 5.038 3.726 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.465 5.058 5.086 1.00 0.00 C ATOM 0 H TRP A 109 -4.744 6.909 0.647 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.368 6.617 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.541 5.262 2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.754 6.676 3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.104 6.604 5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.082 6.177 7.321 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.629 5.343 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.793 5.399 7.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.895 4.767 3.003 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.470 4.806 5.392 1.00 0.00 H new ATOM 1824 N LYS A 110 -5.832 9.410 2.389 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.027 10.743 2.934 1.00 0.00 C ATOM 1826 C LYS A 110 -7.229 11.401 2.272 1.00 0.00 C ATOM 1827 O LYS A 110 -7.980 12.136 2.906 1.00 0.00 O ATOM 1828 CB LYS A 110 -4.775 11.594 2.715 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.515 10.996 3.319 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.320 11.923 3.152 1.00 0.00 C ATOM 1831 CE LYS A 110 -1.643 12.208 4.483 1.00 0.00 C ATOM 1832 NZ LYS A 110 -2.424 13.171 5.309 1.00 0.00 N ATOM 0 H LYS A 110 -4.931 9.266 1.933 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.210 10.663 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.623 11.732 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.939 12.582 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.677 10.798 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.302 10.038 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.602 11.472 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.646 12.860 2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.518 11.276 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.645 12.609 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.929 13.339 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.522 14.070 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.367 12.778 5.502 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.401 11.120 0.985 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.507 11.672 0.216 1.00 0.00 C ATOM 1848 C GLU A 111 -9.717 10.744 0.241 1.00 0.00 C ATOM 1849 O GLU A 111 -10.853 11.179 0.063 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.069 11.899 -1.227 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.078 13.365 -1.628 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.542 13.596 -3.029 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -7.207 12.602 -3.708 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.456 14.770 -3.445 1.00 0.00 O ATOM 0 H GLU A 111 -6.783 10.509 0.451 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.794 12.621 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.065 11.497 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.728 11.342 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.097 13.747 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.480 13.935 -0.917 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.462 9.463 0.454 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.525 8.470 0.496 1.00 0.00 C ATOM 1863 C LEU A 112 -11.222 8.498 1.851 1.00 0.00 C ATOM 1864 O LEU A 112 -12.450 8.451 1.932 1.00 0.00 O ATOM 1865 CB LEU A 112 -9.959 7.075 0.209 1.00 0.00 C ATOM 1866 CG LEU A 112 -10.998 5.952 0.128 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.129 6.324 -0.808 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.356 4.663 -0.340 1.00 0.00 C ATOM 0 H LEU A 112 -8.526 9.085 0.601 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.259 8.709 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.411 7.110 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.238 6.826 0.988 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.405 5.806 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.852 5.509 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.619 7.227 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.731 6.503 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.111 3.878 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.920 4.811 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.575 4.370 0.361 1.00 0.00 H new ATOM 1880 N SER A 113 -10.427 8.587 2.911 1.00 0.00 N ATOM 1881 CA SER A 113 -10.959 8.638 4.265 1.00 0.00 C ATOM 1882 C SER A 113 -11.632 9.982 4.529 1.00 0.00 C ATOM 1883 O SER A 113 -12.751 10.035 5.038 1.00 0.00 O ATOM 1884 CB SER A 113 -9.838 8.401 5.282 1.00 0.00 C ATOM 1885 OG SER A 113 -9.356 9.622 5.818 1.00 0.00 O ATOM 0 H SER A 113 -9.409 8.625 2.857 1.00 0.00 H new ATOM 0 HA SER A 113 -11.706 7.851 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.206 7.768 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.019 7.864 4.804 1.00 0.00 H new ATOM 0 HG SER A 113 -8.643 9.437 6.464 1.00 0.00 H new ATOM 1891 N LEU A 114 -10.942 11.068 4.183 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.483 12.407 4.390 1.00 0.00 C ATOM 1893 C LEU A 114 -12.793 12.581 3.620 1.00 0.00 C ATOM 1894 O LEU A 114 -13.686 13.303 4.060 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.424 13.469 4.027 1.00 0.00 C ATOM 1896 CG LEU A 114 -10.693 14.362 2.806 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -10.891 13.527 1.557 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -11.889 15.269 3.041 1.00 0.00 C ATOM 0 H LEU A 114 -10.014 11.046 3.761 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.723 12.546 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.290 14.117 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.477 12.955 3.864 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.817 14.993 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.080 14.183 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.994 12.937 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.742 12.860 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.054 15.889 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.775 14.662 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.697 15.908 3.903 1.00 0.00 H new ATOM 1910 N LEU A 115 -12.913 11.896 2.483 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.130 11.961 1.681 1.00 0.00 C ATOM 1912 C LEU A 115 -15.219 11.117 2.326 1.00 0.00 C ATOM 1913 O LEU A 115 -16.387 11.504 2.359 1.00 0.00 O ATOM 1914 CB LEU A 115 -13.868 11.460 0.261 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.234 12.481 -0.681 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.014 11.874 -2.057 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.100 13.728 -0.774 1.00 0.00 C ATOM 0 H LEU A 115 -12.185 11.293 2.100 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.455 13.000 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.218 10.586 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.813 11.129 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.263 12.768 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.562 12.617 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.352 11.012 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -13.971 11.557 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.634 14.445 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.085 13.459 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.202 14.174 0.215 1.00 0.00 H new ATOM 1929 N LEU A 116 -14.819 9.958 2.840 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.749 9.047 3.490 1.00 0.00 C ATOM 1931 C LEU A 116 -16.416 9.722 4.681 1.00 0.00 C ATOM 1932 O LEU A 116 -17.619 9.577 4.894 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.020 7.781 3.935 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.935 6.692 2.868 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -13.976 5.593 3.295 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.317 6.126 2.592 1.00 0.00 C ATOM 0 H LEU A 116 -13.854 9.629 2.818 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.524 8.773 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.010 8.048 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.525 7.375 4.811 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.549 7.133 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.931 4.828 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.983 6.015 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.326 5.146 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.247 5.350 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.725 5.699 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.973 6.922 2.240 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.632 10.474 5.445 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.158 11.186 6.602 1.00 0.00 C ATOM 1950 C GLN A 117 -17.311 12.094 6.180 1.00 0.00 C ATOM 1951 O GLN A 117 -18.172 12.439 6.988 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.055 12.014 7.263 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.155 11.207 8.183 1.00 0.00 C ATOM 1954 CD GLN A 117 -12.698 11.612 8.074 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.278 12.623 8.635 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -11.918 10.819 7.348 1.00 0.00 N ATOM 0 H GLN A 117 -14.633 10.606 5.284 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.527 10.456 7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.445 12.477 6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.512 12.822 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.488 11.333 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.253 10.148 7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.309 9.990 6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.928 11.039 7.238 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.312 12.481 4.906 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.351 13.349 4.365 1.00 0.00 C ATOM 1967 C VAL A 118 -19.511 12.547 3.787 1.00 0.00 C ATOM 1968 O VAL A 118 -20.660 12.708 4.197 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.795 14.252 3.249 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.761 15.384 2.948 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.424 14.787 3.622 1.00 0.00 C ATOM 0 H VAL A 118 -16.601 12.205 4.228 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.706 13.957 5.197 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.685 13.653 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.351 16.012 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.716 14.971 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -18.910 15.984 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.051 15.422 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.498 15.369 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.738 13.954 3.775 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.198 11.702 2.811 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.210 10.889 2.140 1.00 0.00 C ATOM 1983 C GLU A 119 -20.731 9.764 3.032 1.00 0.00 C ATOM 1984 O GLU A 119 -21.940 9.559 3.138 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.638 10.300 0.850 1.00 0.00 C ATOM 1986 CG GLU A 119 -18.963 11.331 -0.044 1.00 0.00 C ATOM 1987 CD GLU A 119 -19.957 12.251 -0.724 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.142 11.872 -0.830 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.550 13.352 -1.152 1.00 0.00 O ATOM 0 H GLU A 119 -18.249 11.561 2.465 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.050 11.544 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.916 9.523 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.442 9.819 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.271 11.926 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.371 10.818 -0.802 1.00 0.00 H new ATOM 1996 N GLN A 120 -19.820 9.031 3.661 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.209 7.922 4.528 1.00 0.00 C ATOM 1998 C GLN A 120 -20.465 8.386 5.959 1.00 0.00 C ATOM 1999 O GLN A 120 -21.080 7.671 6.749 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.131 6.835 4.513 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.662 5.466 4.118 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.431 5.152 2.654 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.119 5.676 1.778 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -18.457 4.291 2.379 1.00 0.00 N ATOM 0 H GLN A 120 -18.814 9.182 3.589 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.141 7.512 4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.342 7.125 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -18.677 6.769 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -19.180 4.703 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -20.730 5.419 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -17.911 3.880 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -18.255 4.041 1.411 1.00 0.00 H new ATOM 2013 N ARG A 121 -19.989 9.582 6.291 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.173 10.128 7.632 1.00 0.00 C ATOM 2015 C ARG A 121 -19.500 9.249 8.683 1.00 0.00 C ATOM 2016 O ARG A 121 -19.809 9.345 9.871 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.665 10.268 7.948 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.382 11.273 7.061 1.00 0.00 C ATOM 2019 CD ARG A 121 -22.634 12.583 7.791 1.00 0.00 C ATOM 2020 NE ARG A 121 -23.807 12.508 8.659 1.00 0.00 N ATOM 2021 CZ ARG A 121 -24.309 13.551 9.318 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -23.745 14.747 9.211 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -25.379 13.396 10.086 1.00 0.00 N ATOM 0 H ARG A 121 -19.475 10.190 5.653 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.706 11.112 7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.144 9.295 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.781 10.567 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.786 11.462 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.331 10.853 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.758 12.841 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.772 13.383 7.064 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.268 11.605 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.922 14.872 8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.134 15.542 9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.817 12.479 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.764 14.194 10.591 1.00 0.00 H new ATOM 2037 N MET A 122 -18.580 8.392 8.246 1.00 0.00 N ATOM 2038 CA MET A 122 -17.873 7.505 9.160 1.00 0.00 C ATOM 2039 C MET A 122 -16.693 8.224 9.812 1.00 0.00 C ATOM 2040 O MET A 122 -15.976 8.979 9.155 1.00 0.00 O ATOM 2041 CB MET A 122 -17.395 6.249 8.421 1.00 0.00 C ATOM 2042 CG MET A 122 -16.205 6.480 7.495 1.00 0.00 C ATOM 2043 SD MET A 122 -14.797 5.422 7.895 1.00 0.00 S ATOM 2044 CE MET A 122 -13.688 5.783 6.531 1.00 0.00 C ATOM 0 H MET A 122 -18.309 8.295 7.268 1.00 0.00 H new ATOM 0 HA MET A 122 -18.564 7.204 9.948 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.127 5.490 9.155 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.223 5.849 7.836 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.510 6.298 6.465 1.00 0.00 H new ATOM 0 HG3 MET A 122 -15.899 7.524 7.557 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.659 5.793 6.891 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.796 5.018 5.762 1.00 0.00 H new ATOM 0 HE3 MET A 122 -13.934 6.758 6.110 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.475 8.005 11.121 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.378 8.642 11.847 1.00 0.00 C ATOM 2056 C PRO A 123 -14.039 7.977 11.563 1.00 0.00 C ATOM 2057 O PRO A 123 -13.894 6.763 11.704 1.00 0.00 O ATOM 2058 CB PRO A 123 -15.775 8.455 13.310 1.00 0.00 C ATOM 2059 CG PRO A 123 -16.568 7.194 13.322 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.279 7.127 11.994 1.00 0.00 C ATOM 0 HA PRO A 123 -15.241 9.684 11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -14.898 8.379 13.953 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.364 9.298 13.673 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -15.920 6.329 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.282 7.192 14.146 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.316 6.107 11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.309 7.476 12.073 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.068 8.779 11.150 1.00 0.00 N ATOM 2069 CA VAL A 124 -11.743 8.267 10.833 1.00 0.00 C ATOM 2070 C VAL A 124 -10.652 9.074 11.518 1.00 0.00 C ATOM 2071 O VAL A 124 -10.865 10.221 11.914 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.493 8.290 9.316 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.236 7.509 8.967 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -12.696 7.736 8.572 1.00 0.00 C ATOM 0 H VAL A 124 -13.173 9.786 11.027 1.00 0.00 H new ATOM 0 HA VAL A 124 -11.709 7.240 11.197 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.345 9.325 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.077 7.538 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.379 7.955 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.349 6.474 9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.503 7.759 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.876 6.708 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.573 8.343 8.796 1.00 0.00 H new ATOM 2084 N SER A 125 -9.480 8.468 11.645 1.00 0.00 N ATOM 2085 CA SER A 125 -8.341 9.128 12.270 1.00 0.00 C ATOM 2086 C SER A 125 -7.281 9.440 11.218 1.00 0.00 C ATOM 2087 O SER A 125 -7.390 8.988 10.079 1.00 0.00 O ATOM 2088 CB SER A 125 -7.754 8.238 13.368 1.00 0.00 C ATOM 2089 OG SER A 125 -8.632 7.173 13.689 1.00 0.00 O ATOM 0 H SER A 125 -9.292 7.519 11.323 1.00 0.00 H new ATOM 0 HA SER A 125 -8.675 10.062 12.721 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.795 7.836 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.561 8.835 14.259 1.00 0.00 H new ATOM 0 HG SER A 125 -8.232 6.619 14.392 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.237 10.210 11.575 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.164 10.555 10.636 1.00 0.00 C ATOM 2097 C PRO A 126 -4.401 9.314 10.189 1.00 0.00 C ATOM 2098 O PRO A 126 -3.234 9.127 10.535 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.256 11.491 11.441 1.00 0.00 C ATOM 2100 CG PRO A 126 -4.563 11.193 12.869 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.011 10.795 12.909 1.00 0.00 C ATOM 0 HA PRO A 126 -5.543 11.014 9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.205 11.310 11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.457 12.536 11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -3.928 10.391 13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -4.381 12.065 13.497 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.209 10.075 13.703 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -6.659 11.653 13.088 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.082 8.457 9.436 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.498 7.215 8.954 1.00 0.00 C ATOM 2111 C ILE A 127 -3.984 6.377 10.120 1.00 0.00 C ATOM 2112 O ILE A 127 -2.785 6.128 10.238 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.344 7.458 7.960 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.715 8.563 6.966 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.004 6.164 7.226 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.661 8.806 5.907 1.00 0.00 C ATOM 0 H ILE A 127 -6.048 8.604 9.145 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.290 6.680 8.431 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.465 7.783 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.654 8.301 6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -3.888 9.489 7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.188 6.346 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.701 5.405 7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.880 5.815 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.993 9.601 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.726 9.099 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.504 7.893 5.333 1.00 0.00 H new ATOM 2128 N SER A 128 -4.905 5.939 10.980 1.00 0.00 N ATOM 2129 CA SER A 128 -4.547 5.120 12.134 1.00 0.00 C ATOM 2130 C SER A 128 -3.611 3.991 11.714 1.00 0.00 C ATOM 2131 O SER A 128 -2.784 3.524 12.497 1.00 0.00 O ATOM 2132 CB SER A 128 -5.807 4.545 12.787 1.00 0.00 C ATOM 2133 OG SER A 128 -6.049 5.147 14.047 1.00 0.00 O ATOM 0 H SER A 128 -5.902 6.138 10.898 1.00 0.00 H new ATOM 0 HA SER A 128 -4.031 5.749 12.859 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.664 4.705 12.133 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.697 3.468 12.910 1.00 0.00 H new ATOM 0 HG SER A 128 -6.860 4.764 14.442 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.745 3.576 10.459 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.917 2.519 9.898 1.00 0.00 C ATOM 2141 C GLN A 129 -1.434 2.854 10.053 1.00 0.00 C ATOM 2142 O GLN A 129 -0.582 1.966 10.035 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.246 2.332 8.416 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.719 2.066 8.141 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.515 3.334 7.883 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.055 4.437 8.173 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.720 3.178 7.343 1.00 0.00 N ATOM 0 H GLN A 129 -4.427 3.962 9.806 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.126 1.596 10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.940 3.225 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.658 1.502 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.808 1.406 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.152 1.539 8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.061 2.243 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.303 3.993 7.153 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.136 4.144 10.188 1.00 0.00 N ATOM 2157 CA GLY A 130 0.239 4.580 10.325 1.00 0.00 C ATOM 2158 C GLY A 130 0.820 5.004 8.994 1.00 0.00 C ATOM 2159 O GLY A 130 1.541 4.241 8.358 1.00 0.00 O ATOM 0 H GLY A 130 -1.826 4.895 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.290 5.412 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.838 3.772 10.744 1.00 0.00 H new ATOM 2163 N ALA A 131 0.492 6.219 8.564 1.00 0.00 N ATOM 2164 CA ALA A 131 0.965 6.744 7.284 1.00 0.00 C ATOM 2165 C ALA A 131 2.467 7.033 7.275 1.00 0.00 C ATOM 2166 O ALA A 131 2.946 7.801 6.440 1.00 0.00 O ATOM 2167 CB ALA A 131 0.189 8.000 6.923 1.00 0.00 C ATOM 0 H ALA A 131 -0.103 6.863 9.086 1.00 0.00 H new ATOM 0 HA ALA A 131 0.790 5.969 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.546 8.386 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.872 7.762 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.336 8.753 7.697 1.00 0.00 H new ATOM 2173 N SER A 132 3.212 6.416 8.186 1.00 0.00 N ATOM 2174 CA SER A 132 4.653 6.618 8.251 1.00 0.00 C ATOM 2175 C SER A 132 5.392 5.597 7.387 1.00 0.00 C ATOM 2176 O SER A 132 6.606 5.433 7.510 1.00 0.00 O ATOM 2177 CB SER A 132 5.134 6.509 9.694 1.00 0.00 C ATOM 2178 OG SER A 132 4.867 7.700 10.416 1.00 0.00 O ATOM 0 H SER A 132 2.842 5.774 8.887 1.00 0.00 H new ATOM 0 HA SER A 132 4.869 7.616 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.642 5.667 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.204 6.304 9.709 1.00 0.00 H new ATOM 0 HG SER A 132 5.184 7.602 11.338 1.00 0.00 H new ATOM 2184 N TRP A 133 4.655 4.906 6.518 1.00 0.00 N ATOM 2185 CA TRP A 133 5.248 3.896 5.640 1.00 0.00 C ATOM 2186 C TRP A 133 6.514 4.422 4.974 1.00 0.00 C ATOM 2187 O TRP A 133 7.542 3.751 4.960 1.00 0.00 O ATOM 2188 CB TRP A 133 4.266 3.458 4.549 1.00 0.00 C ATOM 2189 CG TRP A 133 2.835 3.396 4.984 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.356 2.968 6.186 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.694 3.767 4.205 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.984 3.057 6.204 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.554 3.543 4.999 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.527 4.270 2.914 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.734 3.804 4.542 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.249 4.527 2.461 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.868 4.294 3.272 1.00 0.00 C ATOM 0 H TRP A 133 3.649 5.026 6.403 1.00 0.00 H new ATOM 0 HA TRP A 133 5.494 3.040 6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.347 4.147 3.709 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.564 2.475 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.964 2.611 7.004 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.384 2.802 6.988 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.382 4.455 2.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.596 3.626 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.108 4.915 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.855 4.505 2.887 1.00 0.00 H new ATOM 2208 N ALA A 134 6.424 5.620 4.412 1.00 0.00 N ATOM 2209 CA ALA A 134 7.555 6.233 3.727 1.00 0.00 C ATOM 2210 C ALA A 134 8.747 6.411 4.662 1.00 0.00 C ATOM 2211 O ALA A 134 9.898 6.306 4.238 1.00 0.00 O ATOM 2212 CB ALA A 134 7.141 7.568 3.129 1.00 0.00 C ATOM 0 H ALA A 134 5.577 6.188 4.417 1.00 0.00 H new ATOM 0 HA ALA A 134 7.866 5.564 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.993 8.018 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.332 7.412 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.801 8.233 3.923 1.00 0.00 H new ATOM 2218 N GLN A 135 8.469 6.680 5.932 1.00 0.00 N ATOM 2219 CA GLN A 135 9.527 6.870 6.917 1.00 0.00 C ATOM 2220 C GLN A 135 10.279 5.567 7.167 1.00 0.00 C ATOM 2221 O GLN A 135 11.509 5.529 7.123 1.00 0.00 O ATOM 2222 CB GLN A 135 8.943 7.396 8.231 1.00 0.00 C ATOM 2223 CG GLN A 135 8.813 8.910 8.274 1.00 0.00 C ATOM 2224 CD GLN A 135 10.061 9.588 8.805 1.00 0.00 C ATOM 2225 OE1 GLN A 135 11.123 9.532 8.184 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.940 10.231 9.959 1.00 0.00 N ATOM 0 H GLN A 135 7.523 6.771 6.303 1.00 0.00 H new ATOM 0 HA GLN A 135 10.229 7.603 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 135 7.961 6.950 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.575 7.070 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.601 9.281 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.963 9.180 8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.040 10.252 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.746 10.705 10.366 1.00 0.00 H new ATOM 2235 N GLU A 136 9.533 4.500 7.431 1.00 0.00 N ATOM 2236 CA GLU A 136 10.129 3.195 7.690 1.00 0.00 C ATOM 2237 C GLU A 136 10.551 2.514 6.391 1.00 0.00 C ATOM 2238 O GLU A 136 11.514 1.747 6.367 1.00 0.00 O ATOM 2239 CB GLU A 136 9.144 2.305 8.451 1.00 0.00 C ATOM 2240 CG GLU A 136 9.271 2.410 9.961 1.00 0.00 C ATOM 2241 CD GLU A 136 8.500 1.324 10.688 1.00 0.00 C ATOM 2242 OE1 GLU A 136 7.288 1.182 10.427 1.00 0.00 O ATOM 2243 OE2 GLU A 136 9.110 0.617 11.517 1.00 0.00 O ATOM 0 H GLU A 136 8.514 4.513 7.471 1.00 0.00 H new ATOM 0 HA GLU A 136 11.019 3.347 8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.128 2.571 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.299 1.268 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.323 2.351 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.910 3.386 10.285 1.00 0.00 H new ATOM 2250 N ASP A 137 9.827 2.796 5.313 1.00 0.00 N ATOM 2251 CA ASP A 137 10.131 2.209 4.015 1.00 0.00 C ATOM 2252 C ASP A 137 11.508 2.647 3.536 1.00 0.00 C ATOM 2253 O ASP A 137 12.288 1.836 3.037 1.00 0.00 O ATOM 2254 CB ASP A 137 9.069 2.605 2.987 1.00 0.00 C ATOM 2255 CG ASP A 137 7.810 1.769 3.110 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.922 0.577 3.465 1.00 0.00 O ATOM 2257 OD2 ASP A 137 6.713 2.307 2.850 1.00 0.00 O ATOM 0 H ASP A 137 9.026 3.427 5.313 1.00 0.00 H new ATOM 0 HA ASP A 137 10.129 1.124 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.817 3.658 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.479 2.495 1.983 1.00 0.00 H new ATOM 2262 N GLN A 138 11.808 3.931 3.694 1.00 0.00 N ATOM 2263 CA GLN A 138 13.099 4.459 3.279 1.00 0.00 C ATOM 2264 C GLN A 138 14.200 3.951 4.204 1.00 0.00 C ATOM 2265 O GLN A 138 15.323 3.697 3.767 1.00 0.00 O ATOM 2266 CB GLN A 138 13.072 5.992 3.246 1.00 0.00 C ATOM 2267 CG GLN A 138 13.205 6.648 4.610 1.00 0.00 C ATOM 2268 CD GLN A 138 14.507 7.409 4.773 1.00 0.00 C ATOM 2269 OE1 GLN A 138 14.544 8.469 5.396 1.00 0.00 O ATOM 2270 NE2 GLN A 138 15.585 6.872 4.210 1.00 0.00 N ATOM 0 H GLN A 138 11.178 4.621 4.104 1.00 0.00 H new ATOM 0 HA GLN A 138 13.311 4.107 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 138 13.881 6.344 2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.138 6.318 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.369 7.331 4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.137 5.883 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.510 5.991 3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.487 7.341 4.286 1.00 0.00 H new ATOM 2279 N GLN A 139 13.866 3.781 5.481 1.00 0.00 N ATOM 2280 CA GLN A 139 14.823 3.277 6.455 1.00 0.00 C ATOM 2281 C GLN A 139 15.215 1.858 6.080 1.00 0.00 C ATOM 2282 O GLN A 139 16.380 1.469 6.176 1.00 0.00 O ATOM 2283 CB GLN A 139 14.226 3.306 7.863 1.00 0.00 C ATOM 2284 CG GLN A 139 14.505 4.597 8.617 1.00 0.00 C ATOM 2285 CD GLN A 139 15.988 4.883 8.754 1.00 0.00 C ATOM 2286 OE1 GLN A 139 16.825 4.013 8.513 1.00 0.00 O ATOM 2287 NE2 GLN A 139 16.320 6.109 9.142 1.00 0.00 N ATOM 0 H GLN A 139 12.942 3.985 5.862 1.00 0.00 H new ATOM 0 HA GLN A 139 15.707 3.914 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.148 3.161 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.625 2.468 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.025 5.427 8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 139 14.057 4.538 9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 139 15.593 6.799 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 139 17.302 6.361 9.251 1.00 0.00 H new ATOM 2296 N ASP A 140 14.226 1.097 5.624 1.00 0.00 N ATOM 2297 CA ASP A 140 14.444 -0.275 5.197 1.00 0.00 C ATOM 2298 C ASP A 140 14.962 -0.301 3.763 1.00 0.00 C ATOM 2299 O ASP A 140 15.597 -1.264 3.341 1.00 0.00 O ATOM 2300 CB ASP A 140 13.147 -1.079 5.301 1.00 0.00 C ATOM 2301 CG ASP A 140 12.951 -1.684 6.678 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.535 -2.755 6.944 1.00 0.00 O ATOM 2303 OD2 ASP A 140 12.213 -1.087 7.489 1.00 0.00 O ATOM 0 H ASP A 140 13.260 1.413 5.541 1.00 0.00 H new ATOM 0 HA ASP A 140 15.188 -0.729 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.302 -0.432 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.155 -1.874 4.555 1.00 0.00 H new ATOM 2308 N ALA A 141 14.693 0.776 3.023 1.00 0.00 N ATOM 2309 CA ALA A 141 15.137 0.893 1.640 1.00 0.00 C ATOM 2310 C ALA A 141 16.632 1.165 1.589 1.00 0.00 C ATOM 2311 O ALA A 141 17.401 0.372 1.046 1.00 0.00 O ATOM 2312 CB ALA A 141 14.377 2.002 0.924 1.00 0.00 C ATOM 0 H ALA A 141 14.167 1.581 3.364 1.00 0.00 H new ATOM 0 HA ALA A 141 14.932 -0.049 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.723 2.073 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.310 1.777 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.553 2.950 1.432 1.00 0.00 H new ATOM 2318 N ASP A 142 17.044 2.283 2.183 1.00 0.00 N ATOM 2319 CA ASP A 142 18.454 2.644 2.225 1.00 0.00 C ATOM 2320 C ASP A 142 19.247 1.524 2.882 1.00 0.00 C ATOM 2321 O ASP A 142 20.394 1.258 2.520 1.00 0.00 O ATOM 2322 CB ASP A 142 18.651 3.953 2.994 1.00 0.00 C ATOM 2323 CG ASP A 142 19.753 4.811 2.404 1.00 0.00 C ATOM 2324 OD1 ASP A 142 20.938 4.494 2.631 1.00 0.00 O ATOM 2325 OD2 ASP A 142 19.429 5.801 1.714 1.00 0.00 O ATOM 0 H ASP A 142 16.422 2.950 2.639 1.00 0.00 H new ATOM 0 HA ASP A 142 18.812 2.789 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.717 4.515 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.887 3.728 4.034 1.00 0.00 H new ATOM 2330 N GLU A 143 18.610 0.858 3.840 1.00 0.00 N ATOM 2331 CA GLU A 143 19.231 -0.253 4.542 1.00 0.00 C ATOM 2332 C GLU A 143 19.155 -1.514 3.692 1.00 0.00 C ATOM 2333 O GLU A 143 20.051 -2.356 3.732 1.00 0.00 O ATOM 2334 CB GLU A 143 18.544 -0.485 5.889 1.00 0.00 C ATOM 2335 CG GLU A 143 18.912 0.546 6.944 1.00 0.00 C ATOM 2336 CD GLU A 143 20.002 0.060 7.880 1.00 0.00 C ATOM 2337 OE1 GLU A 143 21.183 0.074 7.472 1.00 0.00 O ATOM 2338 OE2 GLU A 143 19.675 -0.335 9.018 1.00 0.00 O ATOM 0 H GLU A 143 17.661 1.072 4.147 1.00 0.00 H new ATOM 0 HA GLU A 143 20.278 -0.009 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.464 -0.474 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.806 -1.477 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 143 19.242 1.461 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.025 0.798 7.525 1.00 0.00 H new ATOM 2345 N ASP A 144 18.081 -1.635 2.911 1.00 0.00 N ATOM 2346 CA ASP A 144 17.901 -2.794 2.042 1.00 0.00 C ATOM 2347 C ASP A 144 19.066 -2.909 1.069 1.00 0.00 C ATOM 2348 O ASP A 144 19.820 -3.880 1.103 1.00 0.00 O ATOM 2349 CB ASP A 144 16.584 -2.694 1.268 1.00 0.00 C ATOM 2350 CG ASP A 144 15.503 -3.584 1.852 1.00 0.00 C ATOM 2351 OD1 ASP A 144 15.755 -4.797 2.010 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.407 -3.069 2.152 1.00 0.00 O ATOM 0 H ASP A 144 17.328 -0.949 2.863 1.00 0.00 H new ATOM 0 HA ASP A 144 17.869 -3.686 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.241 -1.659 1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 144 16.755 -2.969 0.227 1.00 0.00 H new ATOM 2357 N ARG A 145 19.218 -1.902 0.212 1.00 0.00 N ATOM 2358 CA ARG A 145 20.306 -1.885 -0.763 1.00 0.00 C ATOM 2359 C ARG A 145 21.643 -2.137 -0.073 1.00 0.00 C ATOM 2360 O ARG A 145 22.443 -2.956 -0.526 1.00 0.00 O ATOM 2361 CB ARG A 145 20.340 -0.547 -1.501 1.00 0.00 C ATOM 2362 CG ARG A 145 20.355 0.659 -0.577 1.00 0.00 C ATOM 2363 CD ARG A 145 20.195 1.960 -1.350 1.00 0.00 C ATOM 2364 NE ARG A 145 21.213 2.942 -0.983 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.112 4.245 -1.241 1.00 0.00 C ATOM 2366 NH1 ARG A 145 20.043 4.724 -1.864 1.00 0.00 N ATOM 2367 NH2 ARG A 145 22.082 5.070 -0.872 1.00 0.00 N ATOM 0 H ARG A 145 18.603 -1.089 0.173 1.00 0.00 H new ATOM 0 HA ARG A 145 20.131 -2.680 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.223 -0.516 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.471 -0.481 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.551 0.568 0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.292 0.679 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 145 20.256 1.757 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 145 19.205 2.375 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 145 22.049 2.611 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 145 19.293 4.094 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 145 19.971 5.723 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 145 22.905 4.707 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 145 22.005 6.068 -1.069 1.00 0.00 H new