USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 770 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 84 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 THR OG1 : rot 143:sc= 0.0432 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.68) USER MOD Set 3.1: A 38 TYR OH : rot -2:sc= 0.194 USER MOD Set 3.2: A 55 HIS : no HE2:sc= -0.852 K(o=-0.66,f=-1.2) USER MOD Set 4.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -1.47 (180deg=-2.65!) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.107) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.78 K(o=-1.8,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 21 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -2.28 K(o=-2.3,f=-5.4!) USER MOD Single : A 36 GLN : amide:sc= 0.653 K(o=0.65,f=-0.22) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 48 HIS : no HD1:sc= -3.2 X(o=-3.2,f=-3.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -37:sc= -0.187 USER MOD Single : A 57 ASN : amide:sc= -2.53 K(o=-2.5,f=-6.6!) USER MOD Single : A 64 SER OG : rot 22:sc= 0.536 USER MOD Single : A 68 GLN : amide:sc= -0.889 K(o=-0.89,f=-4.5!) USER MOD Single : A 70 MET CE :methyl -122:sc= -2.01! (180deg=-4.35!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 90:sc= 0.931 USER MOD Single : A 88 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-5.7!) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.703) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.1) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.758 -12.137 -6.669 1.00 0.00 N ATOM 2 CA MET A 1 4.862 -11.175 -5.977 1.00 0.00 C ATOM 3 C MET A 1 3.396 -11.534 -6.192 1.00 0.00 C ATOM 4 O MET A 1 2.821 -11.243 -7.241 1.00 0.00 O ATOM 5 CB MET A 1 5.146 -9.770 -6.513 1.00 0.00 C ATOM 6 CG MET A 1 6.480 -9.202 -6.055 1.00 0.00 C ATOM 7 SD MET A 1 7.341 -8.304 -7.362 1.00 0.00 S ATOM 8 CE MET A 1 6.138 -7.036 -7.749 1.00 0.00 C ATOM 0 H1 MET A 1 6.717 -12.065 -6.273 1.00 0.00 H new ATOM 0 H2 MET A 1 5.399 -13.104 -6.535 1.00 0.00 H new ATOM 0 H3 MET A 1 5.786 -11.916 -7.685 1.00 0.00 H new ATOM 0 HA MET A 1 5.056 -11.214 -4.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.126 -9.795 -7.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.347 -9.100 -6.195 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.315 -8.534 -5.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.114 -10.015 -5.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.609 -6.259 -8.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.312 -7.477 -8.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.760 -6.599 -6.825 1.00 0.00 H new ATOM 20 N GLN A 2 2.794 -12.169 -5.190 1.00 0.00 N ATOM 21 CA GLN A 2 1.395 -12.568 -5.270 1.00 0.00 C ATOM 22 C GLN A 2 0.524 -11.682 -4.386 1.00 0.00 C ATOM 23 O GLN A 2 0.290 -11.989 -3.218 1.00 0.00 O ATOM 24 CB GLN A 2 1.236 -14.032 -4.856 1.00 0.00 C ATOM 25 CG GLN A 2 2.163 -14.979 -5.603 1.00 0.00 C ATOM 26 CD GLN A 2 2.365 -16.293 -4.875 1.00 0.00 C ATOM 27 OE1 GLN A 2 1.575 -17.225 -5.022 1.00 0.00 O ATOM 28 NE2 GLN A 2 3.428 -16.373 -4.082 1.00 0.00 N ATOM 0 H GLN A 2 3.254 -12.417 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 2 1.070 -12.451 -6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.424 -14.121 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.204 -14.339 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.753 -15.176 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.129 -14.496 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.057 -15.575 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.615 -17.232 -3.565 1.00 0.00 H new ATOM 37 N LEU A 3 0.042 -10.581 -4.955 1.00 0.00 N ATOM 38 CA LEU A 3 -0.808 -9.650 -4.220 1.00 0.00 C ATOM 39 C LEU A 3 -2.147 -9.463 -4.927 1.00 0.00 C ATOM 40 O LEU A 3 -2.226 -9.531 -6.154 1.00 0.00 O ATOM 41 CB LEU A 3 -0.103 -8.300 -4.057 1.00 0.00 C ATOM 42 CG LEU A 3 0.020 -7.470 -5.334 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.357 -6.024 -4.998 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.075 -8.063 -6.256 1.00 0.00 C ATOM 0 H LEU A 3 0.225 -10.312 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.998 -10.070 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.643 -7.714 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.897 -8.476 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.939 -7.489 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.441 -5.447 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.432 -5.602 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.304 -5.987 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.149 -7.459 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.039 -8.074 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.794 -9.082 -6.522 1.00 0.00 H new ATOM 56 N ASN A 4 -3.196 -9.229 -4.147 1.00 0.00 N ATOM 57 CA ASN A 4 -4.532 -9.036 -4.701 1.00 0.00 C ATOM 58 C ASN A 4 -5.284 -7.946 -3.944 1.00 0.00 C ATOM 59 O ASN A 4 -4.950 -7.625 -2.804 1.00 0.00 O ATOM 60 CB ASN A 4 -5.321 -10.345 -4.653 1.00 0.00 C ATOM 61 CG ASN A 4 -4.936 -11.293 -5.771 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.516 -11.259 -6.857 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.954 -12.148 -5.510 1.00 0.00 N ATOM 0 H ASN A 4 -3.148 -9.168 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.425 -8.723 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.153 -10.833 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.387 -10.126 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.652 -12.812 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.501 -12.141 -4.596 1.00 0.00 H new ATOM 70 N ILE A 5 -6.301 -7.383 -4.586 1.00 0.00 N ATOM 71 CA ILE A 5 -7.103 -6.329 -3.975 1.00 0.00 C ATOM 72 C ILE A 5 -8.581 -6.702 -3.965 1.00 0.00 C ATOM 73 O ILE A 5 -9.043 -7.468 -4.810 1.00 0.00 O ATOM 74 CB ILE A 5 -6.933 -4.989 -4.716 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.452 -4.697 -4.961 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.577 -3.860 -3.925 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.209 -3.438 -5.764 1.00 0.00 C ATOM 0 H ILE A 5 -6.590 -7.639 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.748 -6.217 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.433 -5.062 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.944 -4.610 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.005 -5.543 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.448 -2.920 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.640 -4.064 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.104 -3.786 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.137 -3.294 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.688 -3.530 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.626 -2.582 -5.234 1.00 0.00 H new ATOM 89 N THR A 6 -9.321 -6.149 -3.009 1.00 0.00 N ATOM 90 CA THR A 6 -10.749 -6.418 -2.894 1.00 0.00 C ATOM 91 C THR A 6 -11.501 -5.137 -2.548 1.00 0.00 C ATOM 92 O THR A 6 -11.223 -4.499 -1.533 1.00 0.00 O ATOM 93 CB THR A 6 -11.009 -7.481 -1.826 1.00 0.00 C ATOM 94 OG1 THR A 6 -10.265 -8.656 -2.096 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.465 -7.875 -1.714 1.00 0.00 C ATOM 0 H THR A 6 -8.954 -5.511 -2.302 1.00 0.00 H new ATOM 0 HA THR A 6 -11.108 -6.791 -3.853 1.00 0.00 H new ATOM 0 HB THR A 6 -10.700 -7.025 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.444 -9.323 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.578 -8.632 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.060 -6.999 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.807 -8.278 -2.667 1.00 0.00 H new ATOM 103 N GLY A 7 -12.445 -4.757 -3.402 1.00 0.00 N ATOM 104 CA GLY A 7 -13.208 -3.545 -3.168 1.00 0.00 C ATOM 105 C GLY A 7 -14.621 -3.815 -2.690 1.00 0.00 C ATOM 106 O GLY A 7 -15.386 -4.515 -3.350 1.00 0.00 O ATOM 0 H GLY A 7 -12.695 -5.265 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.691 -2.934 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.247 -2.964 -4.089 1.00 0.00 H new ATOM 110 N ASN A 8 -14.971 -3.238 -1.543 1.00 0.00 N ATOM 111 CA ASN A 8 -16.309 -3.398 -0.982 1.00 0.00 C ATOM 112 C ASN A 8 -17.197 -2.241 -1.420 1.00 0.00 C ATOM 113 O ASN A 8 -16.940 -1.088 -1.076 1.00 0.00 O ATOM 114 CB ASN A 8 -16.262 -3.479 0.550 1.00 0.00 C ATOM 115 CG ASN A 8 -15.184 -2.605 1.163 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.595 -1.759 0.490 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.918 -2.807 2.449 1.00 0.00 N ATOM 0 H ASN A 8 -14.347 -2.656 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.726 -4.333 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.231 -3.185 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.094 -4.514 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.202 -2.250 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.430 -3.519 2.970 1.00 0.00 H new ATOM 124 N ASN A 9 -18.231 -2.557 -2.203 1.00 0.00 N ATOM 125 CA ASN A 9 -19.159 -1.549 -2.726 1.00 0.00 C ATOM 126 C ASN A 9 -18.622 -0.962 -4.031 1.00 0.00 C ATOM 127 O ASN A 9 -19.367 -0.779 -4.992 1.00 0.00 O ATOM 128 CB ASN A 9 -19.403 -0.430 -1.706 1.00 0.00 C ATOM 129 CG ASN A 9 -20.697 0.315 -1.966 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.698 0.102 -1.281 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.682 1.197 -2.960 1.00 0.00 N ATOM 0 H ASN A 9 -18.449 -3.511 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.112 -2.041 -2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.427 -0.855 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.570 0.273 -1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.523 1.730 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.830 1.341 -3.501 1.00 0.00 H new ATOM 138 N VAL A 10 -17.328 -0.658 -4.044 1.00 0.00 N ATOM 139 CA VAL A 10 -16.685 -0.077 -5.216 1.00 0.00 C ATOM 140 C VAL A 10 -16.024 -1.165 -6.065 1.00 0.00 C ATOM 141 O VAL A 10 -15.912 -2.313 -5.637 1.00 0.00 O ATOM 142 CB VAL A 10 -15.628 0.963 -4.791 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.515 0.298 -4.004 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.068 1.701 -5.997 1.00 0.00 C ATOM 0 H VAL A 10 -16.702 -0.805 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.452 0.417 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.115 1.696 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.778 1.046 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.930 -0.170 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.036 -0.461 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.326 2.427 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.601 0.987 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.876 2.218 -6.515 1.00 0.00 H new ATOM 154 N GLU A 11 -15.591 -0.799 -7.269 1.00 0.00 N ATOM 155 CA GLU A 11 -14.944 -1.747 -8.169 1.00 0.00 C ATOM 156 C GLU A 11 -13.460 -1.431 -8.327 1.00 0.00 C ATOM 157 O GLU A 11 -13.054 -0.270 -8.284 1.00 0.00 O ATOM 158 CB GLU A 11 -15.628 -1.730 -9.538 1.00 0.00 C ATOM 159 CG GLU A 11 -15.856 -0.331 -10.085 1.00 0.00 C ATOM 160 CD GLU A 11 -17.145 0.289 -9.582 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.206 -0.355 -9.719 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.092 1.418 -9.050 1.00 0.00 O ATOM 0 H GLU A 11 -15.677 0.146 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.038 -2.741 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.020 -2.294 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.587 -2.243 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.017 0.306 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.877 -0.370 -11.174 1.00 0.00 H new ATOM 169 N ILE A 12 -12.655 -2.472 -8.519 1.00 0.00 N ATOM 170 CA ILE A 12 -11.218 -2.301 -8.694 1.00 0.00 C ATOM 171 C ILE A 12 -10.902 -1.792 -10.097 1.00 0.00 C ATOM 172 O ILE A 12 -10.906 -2.556 -11.061 1.00 0.00 O ATOM 173 CB ILE A 12 -10.458 -3.623 -8.452 1.00 0.00 C ATOM 174 CG1 ILE A 12 -10.795 -4.183 -7.067 1.00 0.00 C ATOM 175 CG2 ILE A 12 -8.956 -3.415 -8.597 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.278 -3.331 -5.927 1.00 0.00 C ATOM 0 H ILE A 12 -12.973 -3.440 -8.557 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.890 -1.568 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.774 -4.346 -9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.877 -4.279 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.378 -5.186 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.439 -4.359 -8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.733 -3.060 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.619 -2.677 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.554 -3.789 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.193 -3.256 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.715 -2.335 -5.990 1.00 0.00 H new ATOM 188 N THR A 13 -10.631 -0.494 -10.204 1.00 0.00 N ATOM 189 CA THR A 13 -10.316 0.118 -11.488 1.00 0.00 C ATOM 190 C THR A 13 -8.809 0.153 -11.717 1.00 0.00 C ATOM 191 O THR A 13 -8.041 0.410 -10.792 1.00 0.00 O ATOM 192 CB THR A 13 -10.888 1.533 -11.558 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.197 2.397 -10.674 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.359 1.602 -11.209 1.00 0.00 C ATOM 0 H THR A 13 -10.624 0.153 -9.416 1.00 0.00 H new ATOM 0 HA THR A 13 -10.771 -0.487 -12.272 1.00 0.00 H new ATOM 0 HB THR A 13 -10.762 1.844 -12.595 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.576 3.299 -10.734 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.701 2.635 -11.278 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.927 0.984 -11.904 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.509 1.237 -10.193 1.00 0.00 H new ATOM 202 N GLU A 14 -8.396 -0.120 -12.956 1.00 0.00 N ATOM 203 CA GLU A 14 -6.979 -0.137 -13.324 1.00 0.00 C ATOM 204 C GLU A 14 -6.179 0.939 -12.589 1.00 0.00 C ATOM 205 O GLU A 14 -5.035 0.711 -12.199 1.00 0.00 O ATOM 206 CB GLU A 14 -6.828 0.050 -14.835 1.00 0.00 C ATOM 207 CG GLU A 14 -7.610 -0.963 -15.654 1.00 0.00 C ATOM 208 CD GLU A 14 -7.193 -0.980 -17.112 1.00 0.00 C ATOM 209 OE1 GLU A 14 -6.029 -1.339 -17.391 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.028 -0.637 -17.974 1.00 0.00 O ATOM 0 H GLU A 14 -9.029 -0.334 -13.727 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.579 -1.107 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.157 1.054 -15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.772 -0.020 -15.098 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.469 -1.956 -15.228 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.674 -0.736 -15.587 1.00 0.00 H new ATOM 217 N ALA A 15 -6.784 2.109 -12.405 1.00 0.00 N ATOM 218 CA ALA A 15 -6.116 3.210 -11.717 1.00 0.00 C ATOM 219 C ALA A 15 -5.933 2.901 -10.235 1.00 0.00 C ATOM 220 O ALA A 15 -4.852 3.092 -9.678 1.00 0.00 O ATOM 221 CB ALA A 15 -6.907 4.496 -11.895 1.00 0.00 C ATOM 0 H ALA A 15 -7.731 2.319 -12.721 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.128 3.338 -12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.399 5.310 -11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.983 4.732 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.906 4.369 -11.479 1.00 0.00 H new ATOM 227 N LEU A 16 -6.999 2.430 -9.599 1.00 0.00 N ATOM 228 CA LEU A 16 -6.960 2.101 -8.178 1.00 0.00 C ATOM 229 C LEU A 16 -5.959 0.984 -7.896 1.00 0.00 C ATOM 230 O LEU A 16 -5.165 1.074 -6.961 1.00 0.00 O ATOM 231 CB LEU A 16 -8.353 1.689 -7.694 1.00 0.00 C ATOM 232 CG LEU A 16 -8.427 1.243 -6.233 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.691 2.433 -5.324 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.507 0.185 -6.054 1.00 0.00 C ATOM 0 H LEU A 16 -7.902 2.267 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.638 2.990 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.033 2.529 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.714 0.876 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.467 0.807 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.740 2.096 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.885 3.159 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.637 2.898 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.546 -0.121 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.472 0.597 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.277 -0.679 -6.677 1.00 0.00 H new ATOM 246 N ARG A 17 -6.009 -0.073 -8.701 1.00 0.00 N ATOM 247 CA ARG A 17 -5.108 -1.208 -8.521 1.00 0.00 C ATOM 248 C ARG A 17 -3.671 -0.844 -8.884 1.00 0.00 C ATOM 249 O ARG A 17 -2.737 -1.193 -8.162 1.00 0.00 O ATOM 250 CB ARG A 17 -5.579 -2.408 -9.352 1.00 0.00 C ATOM 251 CG ARG A 17 -5.524 -2.181 -10.854 1.00 0.00 C ATOM 252 CD ARG A 17 -4.246 -2.747 -11.455 1.00 0.00 C ATOM 253 NE ARG A 17 -4.218 -2.615 -12.910 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.425 -3.330 -13.705 1.00 0.00 C ATOM 255 NH1 ARG A 17 -2.591 -4.226 -13.191 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.466 -3.150 -15.018 1.00 0.00 N ATOM 0 H ARG A 17 -6.660 -0.168 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.128 -1.481 -7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.964 -3.273 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.603 -2.653 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.388 -2.649 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.585 -1.113 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.386 -2.232 -11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.154 -3.799 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.843 -1.935 -13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.555 -4.370 -12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.986 -4.771 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.105 -2.464 -15.419 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.858 -3.698 -15.627 1.00 0.00 H new ATOM 270 N GLU A 18 -3.493 -0.147 -10.002 1.00 0.00 N ATOM 271 CA GLU A 18 -2.160 0.248 -10.445 1.00 0.00 C ATOM 272 C GLU A 18 -1.515 1.202 -9.443 1.00 0.00 C ATOM 273 O GLU A 18 -0.360 1.023 -9.058 1.00 0.00 O ATOM 274 CB GLU A 18 -2.222 0.896 -11.832 1.00 0.00 C ATOM 275 CG GLU A 18 -2.780 2.310 -11.829 1.00 0.00 C ATOM 276 CD GLU A 18 -2.940 2.877 -13.225 1.00 0.00 C ATOM 277 OE1 GLU A 18 -3.771 2.344 -13.991 1.00 0.00 O ATOM 278 OE2 GLU A 18 -2.236 3.855 -13.554 1.00 0.00 O ATOM 0 H GLU A 18 -4.250 0.155 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.546 -0.650 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.219 0.913 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.836 0.275 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.747 2.314 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.119 2.956 -11.252 1.00 0.00 H new ATOM 285 N PHE A 19 -2.268 2.217 -9.024 1.00 0.00 N ATOM 286 CA PHE A 19 -1.766 3.198 -8.066 1.00 0.00 C ATOM 287 C PHE A 19 -1.244 2.516 -6.805 1.00 0.00 C ATOM 288 O PHE A 19 -0.146 2.815 -6.337 1.00 0.00 O ATOM 289 CB PHE A 19 -2.866 4.195 -7.701 1.00 0.00 C ATOM 290 CG PHE A 19 -2.376 5.352 -6.876 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.839 6.475 -7.484 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.454 5.314 -5.493 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.389 7.540 -6.728 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.005 6.376 -4.732 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.470 7.491 -5.350 1.00 0.00 C ATOM 0 H PHE A 19 -3.226 2.381 -9.333 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.940 3.733 -8.535 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.318 4.577 -8.617 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.650 3.674 -7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.771 6.518 -8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.870 4.445 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.974 8.411 -7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.072 6.335 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.116 8.321 -4.757 1.00 0.00 H new ATOM 305 N VAL A 20 -2.034 1.595 -6.265 1.00 0.00 N ATOM 306 CA VAL A 20 -1.642 0.870 -5.062 1.00 0.00 C ATOM 307 C VAL A 20 -0.360 0.082 -5.302 1.00 0.00 C ATOM 308 O VAL A 20 0.578 0.144 -4.508 1.00 0.00 O ATOM 309 CB VAL A 20 -2.751 -0.095 -4.598 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.377 -0.749 -3.277 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.081 0.635 -4.481 1.00 0.00 C ATOM 0 H VAL A 20 -2.946 1.333 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.473 1.611 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.857 -0.880 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.173 -1.426 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.450 -1.310 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.239 0.020 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.851 -0.063 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.990 1.443 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.356 1.048 -5.451 1.00 0.00 H new ATOM 321 N THR A 21 -0.323 -0.651 -6.411 1.00 0.00 N ATOM 322 CA THR A 21 0.848 -1.442 -6.764 1.00 0.00 C ATOM 323 C THR A 21 2.037 -0.532 -7.053 1.00 0.00 C ATOM 324 O THR A 21 3.183 -0.875 -6.760 1.00 0.00 O ATOM 325 CB THR A 21 0.553 -2.320 -7.981 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.734 -2.902 -7.878 1.00 0.00 O ATOM 327 CG2 THR A 21 1.552 -3.441 -8.167 1.00 0.00 C ATOM 0 H THR A 21 -1.091 -0.713 -7.079 1.00 0.00 H new ATOM 0 HA THR A 21 1.095 -2.085 -5.919 1.00 0.00 H new ATOM 0 HB THR A 21 0.617 -1.653 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.406 -2.270 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.284 -4.025 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.549 -3.021 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.543 -4.086 -7.288 1.00 0.00 H new ATOM 335 N ALA A 22 1.752 0.635 -7.626 1.00 0.00 N ATOM 336 CA ALA A 22 2.792 1.603 -7.952 1.00 0.00 C ATOM 337 C ALA A 22 3.601 1.966 -6.712 1.00 0.00 C ATOM 338 O ALA A 22 4.830 2.033 -6.757 1.00 0.00 O ATOM 339 CB ALA A 22 2.179 2.849 -8.572 1.00 0.00 C ATOM 0 H ALA A 22 0.808 0.932 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 22 3.467 1.150 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.968 3.563 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.648 2.578 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.482 3.301 -7.867 1.00 0.00 H new ATOM 345 N LYS A 23 2.903 2.189 -5.604 1.00 0.00 N ATOM 346 CA LYS A 23 3.556 2.534 -4.348 1.00 0.00 C ATOM 347 C LYS A 23 4.410 1.372 -3.860 1.00 0.00 C ATOM 348 O LYS A 23 5.595 1.535 -3.563 1.00 0.00 O ATOM 349 CB LYS A 23 2.519 2.890 -3.283 1.00 0.00 C ATOM 350 CG LYS A 23 1.909 4.271 -3.454 1.00 0.00 C ATOM 351 CD LYS A 23 2.941 5.371 -3.266 1.00 0.00 C ATOM 352 CE LYS A 23 2.808 6.449 -4.328 1.00 0.00 C ATOM 353 NZ LYS A 23 4.087 7.181 -4.544 1.00 0.00 N ATOM 0 H LYS A 23 1.886 2.137 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 23 4.194 3.400 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.722 2.147 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.987 2.829 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.467 4.353 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.101 4.403 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.823 5.816 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.942 4.942 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.487 5.996 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.032 7.155 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.952 7.907 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.381 7.635 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.822 6.512 -4.851 1.00 0.00 H new ATOM 367 N PHE A 24 3.799 0.193 -3.783 1.00 0.00 N ATOM 368 CA PHE A 24 4.499 -1.006 -3.335 1.00 0.00 C ATOM 369 C PHE A 24 5.816 -1.173 -4.085 1.00 0.00 C ATOM 370 O PHE A 24 6.838 -1.508 -3.491 1.00 0.00 O ATOM 371 CB PHE A 24 3.620 -2.242 -3.532 1.00 0.00 C ATOM 372 CG PHE A 24 2.846 -2.627 -2.303 1.00 0.00 C ATOM 373 CD1 PHE A 24 1.681 -1.958 -1.964 1.00 0.00 C ATOM 374 CD2 PHE A 24 3.285 -3.656 -1.487 1.00 0.00 C ATOM 375 CE1 PHE A 24 0.967 -2.309 -0.835 1.00 0.00 C ATOM 376 CE2 PHE A 24 2.575 -4.012 -0.355 1.00 0.00 C ATOM 377 CZ PHE A 24 1.415 -3.337 -0.029 1.00 0.00 C ATOM 0 H PHE A 24 2.820 0.043 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 24 4.717 -0.896 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.922 -2.056 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.248 -3.080 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.327 -1.152 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.192 -4.186 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.060 -1.780 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.927 -4.817 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.859 -3.613 0.855 1.00 0.00 H new ATOM 387 N ALA A 25 5.783 -0.932 -5.393 1.00 0.00 N ATOM 388 CA ALA A 25 6.978 -1.050 -6.223 1.00 0.00 C ATOM 389 C ALA A 25 8.128 -0.235 -5.642 1.00 0.00 C ATOM 390 O ALA A 25 9.236 -0.741 -5.469 1.00 0.00 O ATOM 391 CB ALA A 25 6.677 -0.606 -7.647 1.00 0.00 C ATOM 0 H ALA A 25 4.943 -0.654 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 25 7.281 -2.097 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.577 -0.699 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.890 -1.234 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.348 0.433 -7.642 1.00 0.00 H new ATOM 397 N LYS A 26 7.854 1.030 -5.338 1.00 0.00 N ATOM 398 CA LYS A 26 8.867 1.912 -4.769 1.00 0.00 C ATOM 399 C LYS A 26 9.380 1.359 -3.444 1.00 0.00 C ATOM 400 O LYS A 26 10.529 1.591 -3.065 1.00 0.00 O ATOM 401 CB LYS A 26 8.292 3.315 -4.562 1.00 0.00 C ATOM 402 CG LYS A 26 9.355 4.387 -4.382 1.00 0.00 C ATOM 403 CD LYS A 26 9.803 4.493 -2.932 1.00 0.00 C ATOM 404 CE LYS A 26 9.244 5.739 -2.265 1.00 0.00 C ATOM 405 NZ LYS A 26 9.070 5.552 -0.798 1.00 0.00 N ATOM 0 H LYS A 26 6.942 1.466 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 26 9.702 1.969 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.669 3.573 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.643 3.307 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.214 4.158 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.963 5.348 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.477 3.609 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.892 4.513 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.913 6.580 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.284 5.992 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.687 6.424 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.411 4.766 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.990 5.335 -0.364 1.00 0.00 H new ATOM 419 N LEU A 27 8.522 0.617 -2.749 1.00 0.00 N ATOM 420 CA LEU A 27 8.888 0.021 -1.469 1.00 0.00 C ATOM 421 C LEU A 27 9.650 -1.288 -1.674 1.00 0.00 C ATOM 422 O LEU A 27 10.383 -1.738 -0.794 1.00 0.00 O ATOM 423 CB LEU A 27 7.636 -0.230 -0.625 1.00 0.00 C ATOM 424 CG LEU A 27 7.157 0.968 0.197 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.969 2.186 -0.692 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.866 0.630 0.927 1.00 0.00 C ATOM 0 H LEU A 27 7.569 0.415 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 27 9.539 0.720 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.828 -0.544 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.834 -1.060 0.053 1.00 0.00 H new ATOM 0 HG LEU A 27 7.919 1.204 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.628 3.028 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.917 2.440 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.227 1.965 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.539 1.493 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.096 0.368 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.037 -0.213 1.596 1.00 0.00 H new ATOM 438 N GLU A 28 9.467 -1.891 -2.845 1.00 0.00 N ATOM 439 CA GLU A 28 10.125 -3.146 -3.187 1.00 0.00 C ATOM 440 C GLU A 28 11.636 -2.973 -3.318 1.00 0.00 C ATOM 441 O GLU A 28 12.376 -3.956 -3.376 1.00 0.00 O ATOM 442 CB GLU A 28 9.554 -3.708 -4.492 1.00 0.00 C ATOM 443 CG GLU A 28 8.137 -4.242 -4.356 1.00 0.00 C ATOM 444 CD GLU A 28 7.816 -5.310 -5.383 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.420 -4.948 -6.512 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.959 -6.507 -5.059 1.00 0.00 O ATOM 0 H GLU A 28 8.861 -1.525 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 28 9.934 -3.847 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.567 -2.926 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.203 -4.509 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.002 -4.653 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.431 -3.418 -4.461 1.00 0.00 H new ATOM 453 N GLN A 29 12.098 -1.726 -3.365 1.00 0.00 N ATOM 454 CA GLN A 29 13.523 -1.447 -3.489 1.00 0.00 C ATOM 455 C GLN A 29 14.274 -1.856 -2.226 1.00 0.00 C ATOM 456 O GLN A 29 15.328 -2.490 -2.299 1.00 0.00 O ATOM 457 CB GLN A 29 13.750 0.039 -3.772 1.00 0.00 C ATOM 458 CG GLN A 29 15.168 0.366 -4.208 1.00 0.00 C ATOM 459 CD GLN A 29 15.280 0.603 -5.702 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.287 0.546 -6.427 1.00 0.00 O ATOM 461 NE2 GLN A 29 16.495 0.868 -6.169 1.00 0.00 N ATOM 0 H GLN A 29 11.507 -0.896 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 29 13.909 -2.033 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.057 0.362 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.514 0.611 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.512 1.253 -3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.829 -0.452 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.290 0.905 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.633 1.034 -7.166 1.00 0.00 H new ATOM 470 N TYR A 30 13.730 -1.489 -1.068 1.00 0.00 N ATOM 471 CA TYR A 30 14.364 -1.822 0.207 1.00 0.00 C ATOM 472 C TYR A 30 13.596 -2.913 0.957 1.00 0.00 C ATOM 473 O TYR A 30 13.970 -3.287 2.069 1.00 0.00 O ATOM 474 CB TYR A 30 14.499 -0.576 1.089 1.00 0.00 C ATOM 475 CG TYR A 30 13.287 0.336 1.088 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.996 -0.178 1.038 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.440 1.717 1.152 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.896 0.657 1.049 1.00 0.00 C ATOM 479 CE2 TYR A 30 12.342 2.556 1.161 1.00 0.00 C ATOM 480 CZ TYR A 30 11.074 2.022 1.110 1.00 0.00 C ATOM 481 OH TYR A 30 9.979 2.855 1.121 1.00 0.00 O ATOM 0 H TYR A 30 12.859 -0.965 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 30 15.358 -2.207 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.698 -0.892 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.366 -0.005 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.851 -1.247 0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.433 2.140 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.900 0.242 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.478 3.626 1.208 1.00 0.00 H new ATOM 0 HH TYR A 30 10.278 3.787 1.168 1.00 0.00 H new ATOM 491 N PHE A 31 12.527 -3.424 0.350 1.00 0.00 N ATOM 492 CA PHE A 31 11.727 -4.472 0.977 1.00 0.00 C ATOM 493 C PHE A 31 11.868 -5.791 0.222 1.00 0.00 C ATOM 494 O PHE A 31 11.518 -5.885 -0.954 1.00 0.00 O ATOM 495 CB PHE A 31 10.251 -4.063 1.034 1.00 0.00 C ATOM 496 CG PHE A 31 9.957 -2.922 1.974 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.919 -2.447 2.856 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.707 -2.321 1.972 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.638 -1.398 3.712 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.422 -1.272 2.827 1.00 0.00 C ATOM 501 CZ PHE A 31 9.390 -0.812 3.698 1.00 0.00 C ATOM 0 H PHE A 31 12.197 -3.131 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 31 12.097 -4.610 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.925 -3.785 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.658 -4.927 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.898 -2.902 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.946 -2.677 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.396 -1.038 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.444 -0.813 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.170 0.006 4.368 1.00 0.00 H new ATOM 511 N ASP A 32 12.382 -6.807 0.908 1.00 0.00 N ATOM 512 CA ASP A 32 12.568 -8.120 0.304 1.00 0.00 C ATOM 513 C ASP A 32 11.566 -9.124 0.867 1.00 0.00 C ATOM 514 O ASP A 32 11.154 -10.057 0.177 1.00 0.00 O ATOM 515 CB ASP A 32 13.995 -8.618 0.543 1.00 0.00 C ATOM 516 CG ASP A 32 14.453 -9.593 -0.525 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.588 -10.228 -1.161 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.680 -9.720 -0.725 1.00 0.00 O ATOM 0 H ASP A 32 12.677 -6.745 1.883 1.00 0.00 H new ATOM 0 HA ASP A 32 12.399 -8.026 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.675 -7.766 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.050 -9.100 1.519 1.00 0.00 H new ATOM 523 N ARG A 33 11.183 -8.930 2.124 1.00 0.00 N ATOM 524 CA ARG A 33 10.232 -9.819 2.782 1.00 0.00 C ATOM 525 C ARG A 33 8.804 -9.522 2.335 1.00 0.00 C ATOM 526 O ARG A 33 8.030 -8.903 3.064 1.00 0.00 O ATOM 527 CB ARG A 33 10.342 -9.687 4.302 1.00 0.00 C ATOM 528 CG ARG A 33 11.774 -9.623 4.808 1.00 0.00 C ATOM 529 CD ARG A 33 12.591 -10.815 4.333 1.00 0.00 C ATOM 530 NE ARG A 33 13.803 -10.402 3.630 1.00 0.00 N ATOM 531 CZ ARG A 33 14.497 -11.196 2.816 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.103 -12.445 2.603 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.587 -10.739 2.216 1.00 0.00 N ATOM 0 H ARG A 33 11.517 -8.164 2.709 1.00 0.00 H new ATOM 0 HA ARG A 33 10.476 -10.842 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.814 -8.788 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.839 -10.534 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.241 -8.701 4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.774 -9.592 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.861 -11.434 5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.982 -11.432 3.673 1.00 0.00 H new ATOM 0 HE ARG A 33 14.138 -9.449 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.265 -12.801 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.638 -13.049 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.894 -9.780 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.119 -11.347 1.593 1.00 0.00 H new ATOM 547 N ILE A 34 8.461 -9.970 1.132 1.00 0.00 N ATOM 548 CA ILE A 34 7.125 -9.756 0.587 1.00 0.00 C ATOM 549 C ILE A 34 6.673 -10.956 -0.239 1.00 0.00 C ATOM 550 O ILE A 34 7.249 -11.251 -1.287 1.00 0.00 O ATOM 551 CB ILE A 34 7.070 -8.490 -0.291 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.717 -7.311 0.436 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.631 -8.168 -0.664 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.775 -6.048 -0.397 1.00 0.00 C ATOM 0 H ILE A 34 9.090 -10.484 0.515 1.00 0.00 H new ATOM 0 HA ILE A 34 6.453 -9.627 1.436 1.00 0.00 H new ATOM 0 HB ILE A 34 7.629 -8.675 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.160 -7.108 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.729 -7.588 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.608 -7.272 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.203 -9.004 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.050 -7.998 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.246 -5.253 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.357 -6.234 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.764 -5.747 -0.672 1.00 0.00 H new ATOM 566 N ASN A 35 5.642 -11.646 0.238 1.00 0.00 N ATOM 567 CA ASN A 35 5.119 -12.817 -0.460 1.00 0.00 C ATOM 568 C ASN A 35 3.667 -12.605 -0.878 1.00 0.00 C ATOM 569 O ASN A 35 3.349 -12.613 -2.067 1.00 0.00 O ATOM 570 CB ASN A 35 5.234 -14.067 0.419 1.00 0.00 C ATOM 571 CG ASN A 35 4.967 -13.779 1.885 1.00 0.00 C ATOM 572 OD1 ASN A 35 3.913 -14.130 2.415 1.00 0.00 O ATOM 573 ND2 ASN A 35 5.923 -13.139 2.547 1.00 0.00 N ATOM 0 H ASN A 35 5.153 -11.416 1.103 1.00 0.00 H new ATOM 0 HA ASN A 35 5.718 -12.962 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.529 -14.820 0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.233 -14.491 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.800 -12.919 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.781 -12.867 2.067 1.00 0.00 H new ATOM 580 N GLN A 36 2.788 -12.421 0.103 1.00 0.00 N ATOM 581 CA GLN A 36 1.370 -12.214 -0.175 1.00 0.00 C ATOM 582 C GLN A 36 0.855 -10.952 0.507 1.00 0.00 C ATOM 583 O GLN A 36 0.850 -10.855 1.734 1.00 0.00 O ATOM 584 CB GLN A 36 0.557 -13.424 0.288 1.00 0.00 C ATOM 585 CG GLN A 36 -0.841 -13.479 -0.303 1.00 0.00 C ATOM 586 CD GLN A 36 -1.011 -14.611 -1.299 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.286 -15.749 -0.921 1.00 0.00 O ATOM 588 NE2 GLN A 36 -0.844 -14.302 -2.580 1.00 0.00 N ATOM 0 H GLN A 36 3.031 -12.411 1.094 1.00 0.00 H new ATOM 0 HA GLN A 36 1.253 -12.094 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.092 -14.335 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.482 -13.407 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.567 -13.596 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.061 -12.531 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.617 -13.345 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.943 -15.022 -3.295 1.00 0.00 H new ATOM 597 N VAL A 37 0.418 -9.989 -0.297 1.00 0.00 N ATOM 598 CA VAL A 37 -0.104 -8.733 0.226 1.00 0.00 C ATOM 599 C VAL A 37 -1.501 -8.455 -0.318 1.00 0.00 C ATOM 600 O VAL A 37 -1.748 -8.595 -1.516 1.00 0.00 O ATOM 601 CB VAL A 37 0.813 -7.548 -0.132 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.404 -6.303 0.639 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.270 -7.897 0.134 1.00 0.00 C ATOM 0 H VAL A 37 0.415 -10.055 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.147 -8.836 1.310 1.00 0.00 H new ATOM 0 HB VAL A 37 0.704 -7.339 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.063 -5.477 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.624 -6.042 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.479 -6.497 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.901 -7.047 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.400 -8.137 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.554 -8.758 -0.471 1.00 0.00 H new ATOM 613 N TYR A 38 -2.409 -8.055 0.566 1.00 0.00 N ATOM 614 CA TYR A 38 -3.779 -7.752 0.163 1.00 0.00 C ATOM 615 C TYR A 38 -4.229 -6.411 0.735 1.00 0.00 C ATOM 616 O TYR A 38 -3.879 -6.052 1.859 1.00 0.00 O ATOM 617 CB TYR A 38 -4.736 -8.864 0.605 1.00 0.00 C ATOM 618 CG TYR A 38 -4.375 -9.508 1.926 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.251 -10.317 2.044 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.162 -9.310 3.055 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.922 -10.909 3.248 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.838 -9.899 4.262 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.717 -10.697 4.354 1.00 0.00 C ATOM 624 OH TYR A 38 -3.394 -11.285 5.554 1.00 0.00 O ATOM 0 H TYR A 38 -2.223 -7.933 1.562 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.801 -7.689 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.743 -8.453 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.761 -9.634 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.625 -10.486 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.041 -8.686 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.045 -11.535 3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.460 -9.735 5.130 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.596 -11.843 5.441 1.00 0.00 H new ATOM 634 N VAL A 39 -5.004 -5.674 -0.055 1.00 0.00 N ATOM 635 CA VAL A 39 -5.503 -4.367 0.362 1.00 0.00 C ATOM 636 C VAL A 39 -6.989 -4.220 0.050 1.00 0.00 C ATOM 637 O VAL A 39 -7.479 -4.753 -0.944 1.00 0.00 O ATOM 638 CB VAL A 39 -4.730 -3.227 -0.331 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.028 -1.894 0.339 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.234 -3.510 -0.324 1.00 0.00 C ATOM 0 H VAL A 39 -5.300 -5.960 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.353 -4.299 1.439 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.061 -3.170 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.473 -1.102 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.096 -1.686 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.728 -1.938 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.707 -2.694 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.885 -3.597 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.038 -4.442 -0.854 1.00 0.00 H new ATOM 650 N VAL A 40 -7.698 -3.491 0.906 1.00 0.00 N ATOM 651 CA VAL A 40 -9.127 -3.270 0.720 1.00 0.00 C ATOM 652 C VAL A 40 -9.515 -1.852 1.105 1.00 0.00 C ATOM 653 O VAL A 40 -9.073 -1.326 2.127 1.00 0.00 O ATOM 654 CB VAL A 40 -9.967 -4.268 1.540 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.442 -4.141 1.192 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.476 -5.690 1.311 1.00 0.00 C ATOM 0 H VAL A 40 -7.306 -3.044 1.735 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.335 -3.425 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.849 -4.032 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.018 -4.854 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.782 -3.129 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.585 -4.348 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.080 -6.382 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.563 -5.939 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.433 -5.769 1.618 1.00 0.00 H new ATOM 666 N LEU A 41 -10.332 -1.236 0.264 1.00 0.00 N ATOM 667 CA LEU A 41 -10.775 0.130 0.486 1.00 0.00 C ATOM 668 C LEU A 41 -12.288 0.266 0.332 1.00 0.00 C ATOM 669 O LEU A 41 -12.864 -0.146 -0.674 1.00 0.00 O ATOM 670 CB LEU A 41 -10.051 1.076 -0.479 1.00 0.00 C ATOM 671 CG LEU A 41 -9.711 0.487 -1.855 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.694 -0.639 -1.730 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.968 0.003 -2.564 1.00 0.00 C ATOM 0 H LEU A 41 -10.703 -1.665 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.527 0.402 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.671 1.961 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.126 1.409 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.265 1.279 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.471 -1.039 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.779 -0.255 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.103 -1.431 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.701 -0.410 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.451 -0.767 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.653 0.839 -2.701 1.00 0.00 H new ATOM 685 N LYS A 42 -12.924 0.854 1.342 1.00 0.00 N ATOM 686 CA LYS A 42 -14.368 1.056 1.323 1.00 0.00 C ATOM 687 C LYS A 42 -14.698 2.502 0.972 1.00 0.00 C ATOM 688 O LYS A 42 -14.071 3.435 1.477 1.00 0.00 O ATOM 689 CB LYS A 42 -14.975 0.686 2.680 1.00 0.00 C ATOM 690 CG LYS A 42 -16.454 1.017 2.802 1.00 0.00 C ATOM 691 CD LYS A 42 -16.967 0.767 4.210 1.00 0.00 C ATOM 692 CE LYS A 42 -16.467 1.824 5.182 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.344 1.293 6.567 1.00 0.00 N ATOM 0 H LYS A 42 -12.461 1.198 2.183 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.799 0.407 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.836 -0.382 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.429 1.208 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.617 2.061 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.022 0.414 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.057 0.762 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.645 -0.219 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.498 2.194 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.151 2.673 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.000 2.045 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.274 0.963 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.672 0.499 6.576 1.00 0.00 H new ATOM 707 N VAL A 43 -15.688 2.681 0.103 1.00 0.00 N ATOM 708 CA VAL A 43 -16.101 4.012 -0.320 1.00 0.00 C ATOM 709 C VAL A 43 -17.546 4.291 0.074 1.00 0.00 C ATOM 710 O VAL A 43 -18.477 3.707 -0.483 1.00 0.00 O ATOM 711 CB VAL A 43 -15.955 4.190 -1.844 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.197 5.638 -2.239 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.582 3.725 -2.306 1.00 0.00 C ATOM 0 H VAL A 43 -16.218 1.920 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.445 4.720 0.186 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.707 3.574 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.089 5.743 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.204 5.932 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.471 6.278 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.497 3.858 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.812 4.312 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.453 2.671 -2.059 1.00 0.00 H new ATOM 723 N GLU A 44 -17.728 5.188 1.037 1.00 0.00 N ATOM 724 CA GLU A 44 -19.060 5.549 1.504 1.00 0.00 C ATOM 725 C GLU A 44 -19.226 7.065 1.530 1.00 0.00 C ATOM 726 O GLU A 44 -18.252 7.805 1.675 1.00 0.00 O ATOM 727 CB GLU A 44 -19.318 4.969 2.895 1.00 0.00 C ATOM 728 CG GLU A 44 -18.166 5.171 3.864 1.00 0.00 C ATOM 729 CD GLU A 44 -18.513 4.750 5.279 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.176 3.704 5.441 1.00 0.00 O ATOM 731 OE2 GLU A 44 -18.123 5.468 6.224 1.00 0.00 O ATOM 0 H GLU A 44 -16.969 5.678 1.509 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.789 5.129 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.215 5.429 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.520 3.902 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.303 4.601 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.875 6.221 3.863 1.00 0.00 H new ATOM 738 N LYS A 45 -20.465 7.521 1.382 1.00 0.00 N ATOM 739 CA LYS A 45 -20.765 8.951 1.379 1.00 0.00 C ATOM 740 C LYS A 45 -20.184 9.658 2.604 1.00 0.00 C ATOM 741 O LYS A 45 -20.015 10.877 2.595 1.00 0.00 O ATOM 742 CB LYS A 45 -22.279 9.168 1.325 1.00 0.00 C ATOM 743 CG LYS A 45 -22.678 10.628 1.184 1.00 0.00 C ATOM 744 CD LYS A 45 -23.086 11.224 2.523 1.00 0.00 C ATOM 745 CE LYS A 45 -24.220 12.224 2.365 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.205 12.127 3.477 1.00 0.00 N ATOM 0 H LYS A 45 -21.281 6.921 1.262 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.299 9.383 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.689 8.605 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.729 8.763 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.845 11.196 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.505 10.714 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.394 10.426 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.227 11.715 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.811 13.234 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.726 12.051 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.962 12.825 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.614 11.171 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.728 12.317 4.381 1.00 0.00 H new ATOM 760 N VAL A 46 -19.888 8.899 3.656 1.00 0.00 N ATOM 761 CA VAL A 46 -19.337 9.479 4.877 1.00 0.00 C ATOM 762 C VAL A 46 -17.811 9.597 4.810 1.00 0.00 C ATOM 763 O VAL A 46 -17.282 10.646 4.441 1.00 0.00 O ATOM 764 CB VAL A 46 -19.745 8.659 6.119 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.166 9.271 7.386 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.260 8.559 6.214 1.00 0.00 C ATOM 0 H VAL A 46 -20.019 7.888 3.688 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.754 10.482 4.966 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.338 7.653 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.467 8.676 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.078 9.287 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.537 10.289 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.532 7.978 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.686 9.559 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.649 8.069 5.322 1.00 0.00 H new ATOM 776 N THR A 47 -17.106 8.526 5.174 1.00 0.00 N ATOM 777 CA THR A 47 -15.645 8.533 5.156 1.00 0.00 C ATOM 778 C THR A 47 -15.092 7.327 4.401 1.00 0.00 C ATOM 779 O THR A 47 -15.735 6.283 4.318 1.00 0.00 O ATOM 780 CB THR A 47 -15.099 8.548 6.584 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.617 9.650 7.307 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.589 8.627 6.646 1.00 0.00 C ATOM 0 H THR A 47 -17.521 7.647 5.483 1.00 0.00 H new ATOM 0 HA THR A 47 -15.323 9.435 4.637 1.00 0.00 H new ATOM 0 HB THR A 47 -15.416 7.603 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.257 9.641 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.267 8.634 7.687 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.158 7.764 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.252 9.541 6.156 1.00 0.00 H new ATOM 790 N HIS A 48 -13.885 7.476 3.864 1.00 0.00 N ATOM 791 CA HIS A 48 -13.236 6.396 3.126 1.00 0.00 C ATOM 792 C HIS A 48 -12.268 5.637 4.029 1.00 0.00 C ATOM 793 O HIS A 48 -11.489 6.242 4.767 1.00 0.00 O ATOM 794 CB HIS A 48 -12.489 6.955 1.913 1.00 0.00 C ATOM 795 CG HIS A 48 -13.368 7.707 0.964 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.283 7.578 -0.407 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.358 8.602 1.195 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.181 8.362 -0.978 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.846 8.993 -0.029 1.00 0.00 N ATOM 0 H HIS A 48 -13.336 8.334 3.926 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.006 5.706 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.693 7.615 2.259 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.012 6.133 1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.700 8.944 2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.343 8.468 -2.041 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.600 9.663 -0.179 1.00 0.00 H new ATOM 808 N THR A 49 -12.325 4.309 3.973 1.00 0.00 N ATOM 809 CA THR A 49 -11.454 3.475 4.798 1.00 0.00 C ATOM 810 C THR A 49 -10.640 2.507 3.942 1.00 0.00 C ATOM 811 O THR A 49 -11.138 1.960 2.960 1.00 0.00 O ATOM 812 CB THR A 49 -12.282 2.695 5.820 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.194 3.550 6.486 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.440 2.012 6.875 1.00 0.00 C ATOM 0 H THR A 49 -12.961 3.789 3.369 1.00 0.00 H new ATOM 0 HA THR A 49 -10.760 4.133 5.322 1.00 0.00 H new ATOM 0 HB THR A 49 -12.806 1.932 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.715 3.031 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.089 1.477 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.759 1.307 6.397 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.864 2.759 7.421 1.00 0.00 H new ATOM 822 N SER A 50 -9.384 2.302 4.326 1.00 0.00 N ATOM 823 CA SER A 50 -8.497 1.401 3.601 1.00 0.00 C ATOM 824 C SER A 50 -7.668 0.558 4.566 1.00 0.00 C ATOM 825 O SER A 50 -7.313 1.013 5.654 1.00 0.00 O ATOM 826 CB SER A 50 -7.570 2.196 2.679 1.00 0.00 C ATOM 827 OG SER A 50 -6.507 2.785 3.411 1.00 0.00 O ATOM 0 H SER A 50 -8.957 2.749 5.137 1.00 0.00 H new ATOM 0 HA SER A 50 -9.114 0.733 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.166 1.539 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.139 2.973 2.168 1.00 0.00 H new ATOM 0 HG SER A 50 -6.836 3.078 4.286 1.00 0.00 H new ATOM 833 N ASP A 51 -7.363 -0.670 4.161 1.00 0.00 N ATOM 834 CA ASP A 51 -6.575 -1.575 4.993 1.00 0.00 C ATOM 835 C ASP A 51 -5.447 -2.209 4.185 1.00 0.00 C ATOM 836 O ASP A 51 -5.581 -2.427 2.980 1.00 0.00 O ATOM 837 CB ASP A 51 -7.468 -2.664 5.591 1.00 0.00 C ATOM 838 CG ASP A 51 -8.194 -3.471 4.533 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.576 -3.781 3.493 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.382 -3.795 4.747 1.00 0.00 O ATOM 0 H ASP A 51 -7.648 -1.062 3.264 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.136 -0.994 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.860 -3.334 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.199 -2.204 6.257 1.00 0.00 H new ATOM 845 N ALA A 52 -4.335 -2.506 4.852 1.00 0.00 N ATOM 846 CA ALA A 52 -3.189 -3.115 4.190 1.00 0.00 C ATOM 847 C ALA A 52 -2.509 -4.145 5.085 1.00 0.00 C ATOM 848 O ALA A 52 -1.886 -3.798 6.088 1.00 0.00 O ATOM 849 CB ALA A 52 -2.195 -2.043 3.769 1.00 0.00 C ATOM 0 H ALA A 52 -4.205 -2.334 5.849 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.552 -3.634 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.343 -2.511 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.678 -1.350 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.851 -1.500 4.649 1.00 0.00 H new ATOM 855 N THR A 53 -2.637 -5.414 4.712 1.00 0.00 N ATOM 856 CA THR A 53 -2.038 -6.503 5.475 1.00 0.00 C ATOM 857 C THR A 53 -0.857 -7.108 4.722 1.00 0.00 C ATOM 858 O THR A 53 -1.036 -7.779 3.705 1.00 0.00 O ATOM 859 CB THR A 53 -3.079 -7.584 5.765 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.362 -7.010 5.942 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.767 -8.400 7.000 1.00 0.00 C ATOM 0 H THR A 53 -3.151 -5.714 3.884 1.00 0.00 H new ATOM 0 HA THR A 53 -1.675 -6.096 6.419 1.00 0.00 H new ATOM 0 HB THR A 53 -3.058 -8.245 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.041 -7.599 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.545 -9.149 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.805 -8.897 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.726 -7.743 7.869 1.00 0.00 H new ATOM 869 N LEU A 54 0.350 -6.866 5.225 1.00 0.00 N ATOM 870 CA LEU A 54 1.558 -7.386 4.595 1.00 0.00 C ATOM 871 C LEU A 54 2.037 -8.658 5.287 1.00 0.00 C ATOM 872 O LEU A 54 1.901 -8.807 6.502 1.00 0.00 O ATOM 873 CB LEU A 54 2.666 -6.330 4.624 1.00 0.00 C ATOM 874 CG LEU A 54 2.578 -5.270 3.525 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.425 -4.316 3.795 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.890 -4.508 3.418 1.00 0.00 C ATOM 0 H LEU A 54 0.517 -6.314 6.066 1.00 0.00 H new ATOM 0 HA LEU A 54 1.318 -7.629 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.645 -5.830 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.629 -6.834 4.546 1.00 0.00 H new ATOM 0 HG LEU A 54 2.392 -5.771 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.378 -3.569 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.489 -4.875 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.580 -3.820 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.812 -3.757 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.105 -4.018 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.695 -5.202 3.178 1.00 0.00 H new ATOM 888 N HIS A 55 2.604 -9.569 4.504 1.00 0.00 N ATOM 889 CA HIS A 55 3.110 -10.829 5.036 1.00 0.00 C ATOM 890 C HIS A 55 4.622 -10.764 5.242 1.00 0.00 C ATOM 891 O HIS A 55 5.370 -10.428 4.324 1.00 0.00 O ATOM 892 CB HIS A 55 2.762 -11.985 4.097 1.00 0.00 C ATOM 893 CG HIS A 55 1.401 -12.561 4.338 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.186 -13.897 4.604 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.181 -11.975 4.354 1.00 0.00 C ATOM 896 CE1 HIS A 55 -0.107 -14.108 4.772 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.737 -12.958 4.628 1.00 0.00 N ATOM 0 H HIS A 55 2.725 -9.458 3.497 1.00 0.00 H new ATOM 0 HA HIS A 55 2.635 -11.001 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.823 -11.636 3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.507 -12.773 4.212 1.00 0.00 H new ATOM 0 HD1 HIS A 55 1.912 -14.611 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.031 -10.930 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.569 -15.059 4.990 1.00 0.00 H new ATOM 906 N VAL A 56 5.062 -11.088 6.453 1.00 0.00 N ATOM 907 CA VAL A 56 6.484 -11.069 6.781 1.00 0.00 C ATOM 908 C VAL A 56 7.048 -12.484 6.830 1.00 0.00 C ATOM 909 O VAL A 56 6.299 -13.460 6.855 1.00 0.00 O ATOM 910 CB VAL A 56 6.746 -10.376 8.136 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.191 -9.911 8.228 1.00 0.00 C ATOM 912 CG2 VAL A 56 5.791 -9.206 8.339 1.00 0.00 C ATOM 0 H VAL A 56 4.455 -11.367 7.224 1.00 0.00 H new ATOM 0 HA VAL A 56 6.983 -10.503 5.994 1.00 0.00 H new ATOM 0 HB VAL A 56 6.567 -11.101 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.356 -9.425 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.856 -10.770 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.398 -9.204 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.994 -8.733 9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.932 -8.479 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.763 -9.568 8.323 1.00 0.00 H new ATOM 922 N ASN A 57 8.375 -12.592 6.841 1.00 0.00 N ATOM 923 CA ASN A 57 9.042 -13.890 6.885 1.00 0.00 C ATOM 924 C ASN A 57 8.425 -14.793 7.951 1.00 0.00 C ATOM 925 O ASN A 57 7.806 -15.809 7.634 1.00 0.00 O ATOM 926 CB ASN A 57 10.535 -13.710 7.159 1.00 0.00 C ATOM 927 CG ASN A 57 11.323 -13.430 5.894 1.00 0.00 C ATOM 928 OD1 ASN A 57 10.797 -12.871 4.931 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.593 -13.820 5.888 1.00 0.00 N ATOM 0 H ASN A 57 9.010 -11.794 6.820 1.00 0.00 H new ATOM 0 HA ASN A 57 8.909 -14.366 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.677 -12.889 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.925 -14.609 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.172 -13.660 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.989 -14.280 6.708 1.00 0.00 H new ATOM 936 N GLY A 58 8.596 -14.416 9.213 1.00 0.00 N ATOM 937 CA GLY A 58 8.049 -15.200 10.304 1.00 0.00 C ATOM 938 C GLY A 58 6.977 -14.452 11.073 1.00 0.00 C ATOM 939 O GLY A 58 6.761 -14.709 12.257 1.00 0.00 O ATOM 0 H GLY A 58 9.105 -13.580 9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.630 -16.125 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.853 -15.480 10.985 1.00 0.00 H new ATOM 943 N GLY A 59 6.306 -13.526 10.397 1.00 0.00 N ATOM 944 CA GLY A 59 5.260 -12.751 11.038 1.00 0.00 C ATOM 945 C GLY A 59 4.343 -12.078 10.037 1.00 0.00 C ATOM 946 O GLY A 59 4.599 -12.108 8.834 1.00 0.00 O ATOM 0 H GLY A 59 6.468 -13.298 9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.672 -13.403 11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.713 -11.994 11.678 1.00 0.00 H new ATOM 950 N GLU A 60 3.272 -11.468 10.533 1.00 0.00 N ATOM 951 CA GLU A 60 2.315 -10.788 9.668 1.00 0.00 C ATOM 952 C GLU A 60 1.869 -9.462 10.277 1.00 0.00 C ATOM 953 O GLU A 60 1.384 -9.418 11.407 1.00 0.00 O ATOM 954 CB GLU A 60 1.097 -11.681 9.419 1.00 0.00 C ATOM 955 CG GLU A 60 1.429 -12.966 8.677 1.00 0.00 C ATOM 956 CD GLU A 60 0.711 -14.172 9.252 1.00 0.00 C ATOM 957 OE1 GLU A 60 -0.535 -14.200 9.205 1.00 0.00 O ATOM 958 OE2 GLU A 60 1.398 -15.089 9.751 1.00 0.00 O ATOM 0 H GLU A 60 3.045 -11.430 11.527 1.00 0.00 H new ATOM 0 HA GLU A 60 2.809 -10.581 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.638 -11.931 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.357 -11.121 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.161 -12.855 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.505 -13.136 8.715 1.00 0.00 H new ATOM 965 N ILE A 61 2.031 -8.385 9.515 1.00 0.00 N ATOM 966 CA ILE A 61 1.640 -7.057 9.973 1.00 0.00 C ATOM 967 C ILE A 61 0.320 -6.636 9.337 1.00 0.00 C ATOM 968 O ILE A 61 0.089 -6.881 8.153 1.00 0.00 O ATOM 969 CB ILE A 61 2.717 -6.005 9.640 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.093 -6.481 10.109 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.368 -4.668 10.278 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.233 -5.962 9.259 1.00 0.00 C ATOM 0 H ILE A 61 2.431 -8.406 8.577 1.00 0.00 H new ATOM 0 HA ILE A 61 1.525 -7.111 11.056 1.00 0.00 H new ATOM 0 HB ILE A 61 2.749 -5.873 8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.246 -6.164 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.113 -7.571 10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.138 -3.936 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.406 -4.324 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.310 -4.785 11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.178 -6.339 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.104 -6.300 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.239 -4.872 9.284 1.00 0.00 H new ATOM 984 N HIS A 62 -0.544 -6.003 10.125 1.00 0.00 N ATOM 985 CA HIS A 62 -1.837 -5.553 9.626 1.00 0.00 C ATOM 986 C HIS A 62 -2.122 -4.115 10.047 1.00 0.00 C ATOM 987 O HIS A 62 -2.325 -3.834 11.230 1.00 0.00 O ATOM 988 CB HIS A 62 -2.949 -6.474 10.130 1.00 0.00 C ATOM 989 CG HIS A 62 -4.246 -6.300 9.403 1.00 0.00 C ATOM 990 ND1 HIS A 62 -5.151 -7.325 9.222 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.790 -5.211 8.810 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.194 -6.875 8.547 1.00 0.00 C ATOM 993 NE2 HIS A 62 -6.000 -5.596 8.286 1.00 0.00 N ATOM 0 H HIS A 62 -0.372 -5.791 11.108 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.806 -5.589 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.624 -7.510 10.033 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.110 -6.289 11.192 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.354 -4.224 8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.058 -7.455 8.258 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.645 -4.991 7.777 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.145 -3.208 9.076 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.416 -1.802 9.348 1.00 0.00 C ATOM 1004 C ALA A 63 -3.640 -1.332 8.572 1.00 0.00 C ATOM 1005 O ALA A 63 -3.959 -1.876 7.514 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.204 -0.953 8.999 1.00 0.00 C ATOM 0 H ALA A 63 -1.979 -3.422 8.093 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.623 -1.690 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.421 0.095 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.351 -1.273 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.969 -1.071 7.941 1.00 0.00 H new ATOM 1012 N SER A 64 -4.326 -0.318 9.094 1.00 0.00 N ATOM 1013 CA SER A 64 -5.511 0.218 8.438 1.00 0.00 C ATOM 1014 C SER A 64 -5.553 1.738 8.556 1.00 0.00 C ATOM 1015 O SER A 64 -5.566 2.284 9.660 1.00 0.00 O ATOM 1016 CB SER A 64 -6.777 -0.388 9.050 1.00 0.00 C ATOM 1017 OG SER A 64 -6.975 0.073 10.374 1.00 0.00 O ATOM 0 H SER A 64 -4.080 0.147 9.968 1.00 0.00 H new ATOM 0 HA SER A 64 -5.464 -0.047 7.382 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.641 -0.128 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.701 -1.475 9.048 1.00 0.00 H new ATOM 0 HG SER A 64 -6.493 0.917 10.502 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.573 2.418 7.415 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.612 3.875 7.398 1.00 0.00 C ATOM 1025 C ALA A 65 -6.889 4.384 6.736 1.00 0.00 C ATOM 1026 O ALA A 65 -7.580 3.639 6.040 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.390 4.425 6.681 1.00 0.00 C ATOM 0 H ALA A 65 -5.563 1.984 6.492 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.605 4.226 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.431 5.514 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.487 4.099 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.374 4.057 5.655 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.194 5.659 6.958 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.386 6.271 6.382 1.00 0.00 C ATOM 1035 C GLU A 66 -8.064 7.644 5.802 1.00 0.00 C ATOM 1036 O GLU A 66 -7.077 8.272 6.183 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.484 6.397 7.441 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.016 7.066 8.726 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.188 6.176 9.942 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.079 5.303 9.918 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -8.430 6.354 10.919 1.00 0.00 O ATOM 0 H GLU A 66 -6.632 6.288 7.532 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.741 5.629 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.314 6.968 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.866 5.404 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.966 7.341 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.575 7.990 8.875 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.900 8.102 4.876 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.683 9.396 4.258 1.00 0.00 C ATOM 1050 C GLY A 67 -9.960 10.008 3.721 1.00 0.00 C ATOM 1051 O GLY A 67 -10.971 9.322 3.569 1.00 0.00 O ATOM 0 H GLY A 67 -9.723 7.600 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.239 10.073 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.965 9.290 3.444 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.916 11.305 3.433 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.077 12.018 2.910 1.00 0.00 C ATOM 1057 C GLN A 68 -11.556 11.416 1.589 1.00 0.00 C ATOM 1058 O GLN A 68 -12.683 11.661 1.162 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.744 13.498 2.716 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.918 14.328 2.221 1.00 0.00 C ATOM 1061 CD GLN A 68 -13.024 14.445 3.250 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.018 13.752 4.267 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.981 15.329 2.991 1.00 0.00 N ATOM 0 H GLN A 68 -9.086 11.886 3.553 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.882 11.920 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.393 13.909 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.922 13.586 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.567 15.325 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.318 13.879 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.946 15.883 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.751 15.454 3.648 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.700 10.625 0.946 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.051 9.994 -0.321 1.00 0.00 C ATOM 1074 C ASP A 69 -10.296 8.679 -0.496 1.00 0.00 C ATOM 1075 O ASP A 69 -9.467 8.314 0.337 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.741 10.933 -1.488 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.340 11.509 -1.412 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.138 12.479 -0.654 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.446 10.987 -2.110 1.00 0.00 O ATOM 0 H ASP A 69 -9.762 10.407 1.281 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.120 9.783 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.858 10.392 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.465 11.747 -1.498 1.00 0.00 H new ATOM 1084 N MET A 70 -10.588 7.972 -1.583 1.00 0.00 N ATOM 1085 CA MET A 70 -9.933 6.697 -1.864 1.00 0.00 C ATOM 1086 C MET A 70 -8.420 6.866 -1.939 1.00 0.00 C ATOM 1087 O MET A 70 -7.675 6.206 -1.215 1.00 0.00 O ATOM 1088 CB MET A 70 -10.459 6.105 -3.173 1.00 0.00 C ATOM 1089 CG MET A 70 -10.116 4.635 -3.356 1.00 0.00 C ATOM 1090 SD MET A 70 -11.575 3.575 -3.386 1.00 0.00 S ATOM 1091 CE MET A 70 -12.308 4.053 -4.950 1.00 0.00 C ATOM 0 H MET A 70 -11.272 8.259 -2.283 1.00 0.00 H new ATOM 0 HA MET A 70 -10.163 6.013 -1.047 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.542 6.224 -3.207 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.050 6.672 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.562 4.509 -4.286 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.458 4.317 -2.547 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.321 4.417 -4.781 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.710 4.843 -5.406 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.338 3.191 -5.616 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.970 7.755 -2.821 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.543 8.010 -2.992 1.00 0.00 C ATOM 1103 C TYR A 71 -5.898 8.414 -1.670 1.00 0.00 C ATOM 1104 O TYR A 71 -4.759 8.040 -1.384 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.324 9.105 -4.037 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.737 8.700 -5.434 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.349 7.476 -5.966 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.515 9.541 -6.220 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.724 7.102 -7.242 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.895 9.174 -7.498 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.497 7.954 -8.004 1.00 0.00 C ATOM 1112 OH TYR A 71 -7.874 7.584 -9.274 1.00 0.00 O ATOM 0 H TYR A 71 -8.573 8.310 -3.428 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.073 7.089 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.885 9.992 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.270 9.383 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.745 6.806 -5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.828 10.497 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.414 6.148 -7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.500 9.839 -8.097 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.416 8.295 -9.675 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.632 9.174 -0.864 1.00 0.00 N ATOM 1123 CA ALA A 72 -6.130 9.622 0.427 1.00 0.00 C ATOM 1124 C ALA A 72 -5.849 8.438 1.344 1.00 0.00 C ATOM 1125 O ALA A 72 -4.777 8.340 1.941 1.00 0.00 O ATOM 1126 CB ALA A 72 -7.124 10.573 1.079 1.00 0.00 C ATOM 0 H ALA A 72 -7.576 9.492 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.192 10.152 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.736 10.900 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.274 11.440 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.075 10.061 1.225 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.822 7.536 1.449 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.684 6.353 2.291 1.00 0.00 C ATOM 1134 C ALA A 73 -5.405 5.588 1.965 1.00 0.00 C ATOM 1135 O ALA A 73 -4.788 4.986 2.843 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.898 5.449 2.132 1.00 0.00 C ATOM 0 H ALA A 73 -7.715 7.603 0.961 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.622 6.682 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.782 4.570 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.797 5.992 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.986 5.137 1.091 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.009 5.620 0.696 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.800 4.935 0.256 1.00 0.00 C ATOM 1144 C ILE A 74 -2.554 5.733 0.630 1.00 0.00 C ATOM 1145 O ILE A 74 -1.484 5.165 0.844 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.810 4.694 -1.269 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.070 3.928 -1.679 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.564 3.935 -1.698 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.231 2.605 -0.964 1.00 0.00 C ATOM 0 H ILE A 74 -5.508 6.113 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.778 3.971 0.764 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.813 5.661 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.944 4.548 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.044 3.750 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.589 3.774 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.678 4.514 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.531 2.972 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.145 2.117 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.375 1.966 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.289 2.777 0.111 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.703 7.052 0.707 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.589 7.927 1.057 1.00 0.00 C ATOM 1163 C ASP A 75 -1.148 7.694 2.500 1.00 0.00 C ATOM 1164 O ASP A 75 0.020 7.407 2.764 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.985 9.392 0.862 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.811 10.256 0.444 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.388 10.156 -0.727 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.315 11.032 1.287 1.00 0.00 O ATOM 0 H ASP A 75 -3.583 7.538 0.532 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.753 7.693 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.768 9.457 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.405 9.779 1.790 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.087 7.820 3.430 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.772 7.619 4.832 1.00 0.00 C ATOM 1175 C GLY A 76 -1.452 6.173 5.152 1.00 0.00 C ATOM 1176 O GLY A 76 -0.631 5.889 6.023 1.00 0.00 O ATOM 0 H GLY A 76 -3.060 8.058 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.922 8.245 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.615 7.945 5.441 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.105 5.256 4.446 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.891 3.830 4.658 1.00 0.00 C ATOM 1182 C LEU A 77 -0.546 3.384 4.092 1.00 0.00 C ATOM 1183 O LEU A 77 0.108 2.502 4.645 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.021 3.022 4.016 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.866 1.502 4.104 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -3.023 1.031 5.541 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -3.876 0.811 3.201 1.00 0.00 C ATOM 0 H LEU A 77 -2.788 5.476 3.721 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.887 3.648 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.962 3.303 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.096 3.303 2.966 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.864 1.238 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.910 -0.052 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.261 1.500 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.011 1.307 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.752 -0.269 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.886 1.082 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.716 1.124 2.169 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.139 3.996 2.985 1.00 0.00 N ATOM 1200 CA ILE A 78 1.126 3.655 2.347 1.00 0.00 C ATOM 1201 C ILE A 78 2.302 4.371 3.015 1.00 0.00 C ATOM 1202 O ILE A 78 3.458 3.978 2.843 1.00 0.00 O ATOM 1203 CB ILE A 78 1.101 3.993 0.840 1.00 0.00 C ATOM 1204 CG1 ILE A 78 2.213 3.240 0.108 1.00 0.00 C ATOM 1205 CG2 ILE A 78 1.231 5.493 0.609 1.00 0.00 C ATOM 1206 CD1 ILE A 78 1.792 1.872 -0.387 1.00 0.00 C ATOM 0 H ILE A 78 -0.666 4.730 2.512 1.00 0.00 H new ATOM 0 HA ILE A 78 1.261 2.580 2.465 1.00 0.00 H new ATOM 0 HB ILE A 78 0.139 3.675 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.548 3.837 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.067 3.129 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.210 5.699 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.403 6.009 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.173 5.845 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.630 1.396 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.485 1.258 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.958 1.977 -1.081 1.00 0.00 H new ATOM 1218 N ASP A 79 2.001 5.408 3.793 1.00 0.00 N ATOM 1219 CA ASP A 79 3.035 6.160 4.495 1.00 0.00 C ATOM 1220 C ASP A 79 3.391 5.473 5.806 1.00 0.00 C ATOM 1221 O ASP A 79 4.565 5.248 6.104 1.00 0.00 O ATOM 1222 CB ASP A 79 2.565 7.591 4.763 1.00 0.00 C ATOM 1223 CG ASP A 79 3.677 8.606 4.592 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.159 8.773 3.453 1.00 0.00 O ATOM 1225 OD2 ASP A 79 4.067 9.235 5.599 1.00 0.00 O ATOM 0 H ASP A 79 1.052 5.745 3.952 1.00 0.00 H new ATOM 0 HA ASP A 79 3.923 6.196 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.747 7.835 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.169 7.657 5.777 1.00 0.00 H new ATOM 1230 N LYS A 80 2.367 5.135 6.582 1.00 0.00 N ATOM 1231 CA LYS A 80 2.564 4.464 7.860 1.00 0.00 C ATOM 1232 C LYS A 80 3.058 3.038 7.643 1.00 0.00 C ATOM 1233 O LYS A 80 3.838 2.509 8.436 1.00 0.00 O ATOM 1234 CB LYS A 80 1.257 4.453 8.656 1.00 0.00 C ATOM 1235 CG LYS A 80 1.358 3.742 9.996 1.00 0.00 C ATOM 1236 CD LYS A 80 0.062 3.025 10.345 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.103 3.996 10.454 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.876 3.798 11.711 1.00 0.00 N ATOM 0 H LYS A 80 1.391 5.315 6.347 1.00 0.00 H new ATOM 0 HA LYS A 80 3.318 5.010 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.937 5.481 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.483 3.972 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.177 3.023 9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.597 4.465 10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.157 2.277 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.183 2.493 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.728 5.019 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.764 3.867 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.661 4.479 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.256 2.830 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.252 3.946 12.529 1.00 0.00 H new ATOM 1252 N LEU A 81 2.599 2.423 6.556 1.00 0.00 N ATOM 1253 CA LEU A 81 2.993 1.059 6.227 1.00 0.00 C ATOM 1254 C LEU A 81 4.472 0.990 5.862 1.00 0.00 C ATOM 1255 O LEU A 81 5.212 0.167 6.400 1.00 0.00 O ATOM 1256 CB LEU A 81 2.141 0.524 5.071 1.00 0.00 C ATOM 1257 CG LEU A 81 0.789 -0.083 5.469 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.931 -1.576 5.721 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.213 0.612 6.698 1.00 0.00 C ATOM 0 H LEU A 81 1.955 2.848 5.890 1.00 0.00 H new ATOM 0 HA LEU A 81 2.828 0.438 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.961 1.338 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.717 -0.234 4.539 1.00 0.00 H new ATOM 0 HG LEU A 81 0.096 0.068 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.037 -1.991 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.286 -2.066 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.645 -1.743 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.745 0.160 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.903 0.502 7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.069 1.671 6.483 1.00 0.00 H new ATOM 1271 N ALA A 82 4.903 1.859 4.951 1.00 0.00 N ATOM 1272 CA ALA A 82 6.300 1.884 4.532 1.00 0.00 C ATOM 1273 C ALA A 82 7.224 2.082 5.729 1.00 0.00 C ATOM 1274 O ALA A 82 8.167 1.317 5.934 1.00 0.00 O ATOM 1275 CB ALA A 82 6.529 2.975 3.498 1.00 0.00 C ATOM 0 H ALA A 82 4.309 2.550 4.492 1.00 0.00 H new ATOM 0 HA ALA A 82 6.533 0.921 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.577 2.978 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.902 2.787 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.272 3.943 3.928 1.00 0.00 H new ATOM 1281 N ARG A 83 6.948 3.118 6.517 1.00 0.00 N ATOM 1282 CA ARG A 83 7.752 3.425 7.696 1.00 0.00 C ATOM 1283 C ARG A 83 7.836 2.226 8.638 1.00 0.00 C ATOM 1284 O ARG A 83 8.852 2.017 9.299 1.00 0.00 O ATOM 1285 CB ARG A 83 7.166 4.628 8.436 1.00 0.00 C ATOM 1286 CG ARG A 83 7.484 5.961 7.780 1.00 0.00 C ATOM 1287 CD ARG A 83 8.965 6.290 7.878 1.00 0.00 C ATOM 1288 NE ARG A 83 9.423 6.352 9.264 1.00 0.00 N ATOM 1289 CZ ARG A 83 10.666 6.665 9.621 1.00 0.00 C ATOM 1290 NH1 ARG A 83 11.578 6.946 8.698 1.00 0.00 N ATOM 1291 NH2 ARG A 83 10.998 6.698 10.905 1.00 0.00 N ATOM 0 H ARG A 83 6.172 3.760 6.359 1.00 0.00 H new ATOM 0 HA ARG A 83 8.761 3.665 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.084 4.513 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.546 4.636 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.185 5.933 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.902 6.750 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.540 5.536 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.157 7.246 7.390 1.00 0.00 H new ATOM 0 HE ARG A 83 8.750 6.143 10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.327 6.923 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.529 7.185 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.301 6.483 11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.951 6.938 11.179 1.00 0.00 H new ATOM 1305 N GLN A 84 6.763 1.444 8.695 1.00 0.00 N ATOM 1306 CA GLN A 84 6.722 0.266 9.559 1.00 0.00 C ATOM 1307 C GLN A 84 7.529 -0.878 8.956 1.00 0.00 C ATOM 1308 O GLN A 84 8.356 -1.493 9.632 1.00 0.00 O ATOM 1309 CB GLN A 84 5.276 -0.177 9.784 1.00 0.00 C ATOM 1310 CG GLN A 84 4.519 0.690 10.778 1.00 0.00 C ATOM 1311 CD GLN A 84 5.141 0.668 12.159 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.571 1.700 12.676 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.193 -0.511 12.767 1.00 0.00 N ATOM 0 H GLN A 84 5.912 1.602 8.156 1.00 0.00 H new ATOM 0 HA GLN A 84 7.166 0.534 10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.749 -0.165 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.272 -1.208 10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.491 1.716 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.487 0.346 10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.825 -1.341 12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.601 -0.587 13.699 1.00 0.00 H new ATOM 1322 N LEU A 85 7.288 -1.153 7.678 1.00 0.00 N ATOM 1323 CA LEU A 85 7.993 -2.220 6.979 1.00 0.00 C ATOM 1324 C LEU A 85 9.502 -2.000 7.038 1.00 0.00 C ATOM 1325 O LEU A 85 10.271 -2.944 7.216 1.00 0.00 O ATOM 1326 CB LEU A 85 7.530 -2.302 5.520 1.00 0.00 C ATOM 1327 CG LEU A 85 6.281 -3.154 5.269 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.620 -4.635 5.357 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.172 -2.803 6.253 1.00 0.00 C ATOM 0 H LEU A 85 6.609 -0.651 7.106 1.00 0.00 H new ATOM 0 HA LEU A 85 7.761 -3.162 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.336 -1.291 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.347 -2.702 4.920 1.00 0.00 H new ATOM 0 HG LEU A 85 5.922 -2.937 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.722 -5.225 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.373 -4.881 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.009 -4.861 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.298 -3.422 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.518 -2.983 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.905 -1.752 6.141 1.00 0.00 H new ATOM 1341 N THR A 86 9.917 -0.746 6.888 1.00 0.00 N ATOM 1342 CA THR A 86 11.333 -0.400 6.927 1.00 0.00 C ATOM 1343 C THR A 86 11.898 -0.566 8.335 1.00 0.00 C ATOM 1344 O THR A 86 13.030 -1.017 8.512 1.00 0.00 O ATOM 1345 CB THR A 86 11.542 1.038 6.448 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.607 1.371 5.438 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.928 1.289 5.893 1.00 0.00 C ATOM 0 H THR A 86 9.293 0.047 6.738 1.00 0.00 H new ATOM 0 HA THR A 86 11.864 -1.079 6.260 1.00 0.00 H new ATOM 0 HB THR A 86 11.405 1.660 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.801 1.746 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.009 2.327 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.671 1.089 6.665 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.104 0.631 5.042 1.00 0.00 H new ATOM 1355 N LYS A 87 11.101 -0.201 9.335 1.00 0.00 N ATOM 1356 CA LYS A 87 11.522 -0.311 10.729 1.00 0.00 C ATOM 1357 C LYS A 87 12.007 -1.724 11.044 1.00 0.00 C ATOM 1358 O LYS A 87 13.174 -1.930 11.376 1.00 0.00 O ATOM 1359 CB LYS A 87 10.372 0.066 11.664 1.00 0.00 C ATOM 1360 CG LYS A 87 10.829 0.664 12.983 1.00 0.00 C ATOM 1361 CD LYS A 87 9.661 0.894 13.927 1.00 0.00 C ATOM 1362 CE LYS A 87 9.128 -0.416 14.485 1.00 0.00 C ATOM 1363 NZ LYS A 87 7.994 -0.199 15.426 1.00 0.00 N ATOM 0 H LYS A 87 10.161 0.173 9.207 1.00 0.00 H new ATOM 0 HA LYS A 87 12.350 0.381 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.722 0.780 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.773 -0.822 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.552 -0.002 13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.339 1.609 12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.977 1.538 14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.863 1.417 13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.801 -1.054 13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.930 -0.945 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.660 -1.116 15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.312 0.389 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.218 0.282 14.929 1.00 0.00 H new ATOM 1377 N HIS A 88 11.101 -2.692 10.941 1.00 0.00 N ATOM 1378 CA HIS A 88 11.441 -4.083 11.216 1.00 0.00 C ATOM 1379 C HIS A 88 12.464 -4.606 10.208 1.00 0.00 C ATOM 1380 O HIS A 88 13.233 -5.521 10.507 1.00 0.00 O ATOM 1381 CB HIS A 88 10.176 -4.955 11.202 1.00 0.00 C ATOM 1382 CG HIS A 88 9.771 -5.427 9.837 1.00 0.00 C ATOM 1383 ND1 HIS A 88 9.220 -4.598 8.885 1.00 0.00 N ATOM 1384 CD2 HIS A 88 9.843 -6.655 9.270 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.971 -5.294 7.790 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.341 -6.542 7.996 1.00 0.00 N ATOM 0 H HIS A 88 10.130 -2.539 10.670 1.00 0.00 H new ATOM 0 HA HIS A 88 11.889 -4.134 12.208 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.339 -5.823 11.841 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.353 -4.389 11.638 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.223 -7.554 9.732 1.00 0.00 H new ATOM 0 HE1 HIS A 88 8.538 -4.906 6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.267 -7.301 7.319 1.00 0.00 H new ATOM 1395 N LYS A 89 12.467 -4.020 9.014 1.00 0.00 N ATOM 1396 CA LYS A 89 13.394 -4.427 7.963 1.00 0.00 C ATOM 1397 C LYS A 89 14.828 -4.017 8.296 1.00 0.00 C ATOM 1398 O LYS A 89 15.780 -4.549 7.726 1.00 0.00 O ATOM 1399 CB LYS A 89 12.979 -3.814 6.623 1.00 0.00 C ATOM 1400 CG LYS A 89 12.074 -4.716 5.797 1.00 0.00 C ATOM 1401 CD LYS A 89 12.796 -5.262 4.575 1.00 0.00 C ATOM 1402 CE LYS A 89 14.019 -6.073 4.966 1.00 0.00 C ATOM 1403 NZ LYS A 89 14.435 -7.010 3.885 1.00 0.00 N ATOM 0 H LYS A 89 11.838 -3.262 8.750 1.00 0.00 H new ATOM 0 HA LYS A 89 13.357 -5.514 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.467 -2.870 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.874 -3.583 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.723 -5.544 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.193 -4.158 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.114 -5.886 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.097 -4.436 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.843 -5.398 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.805 -6.638 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.043 -7.753 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.592 -7.445 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.961 -6.487 3.156 1.00 0.00 H new ATOM 1417 N ASP A 90 14.978 -3.072 9.220 1.00 0.00 N ATOM 1418 CA ASP A 90 16.299 -2.602 9.620 1.00 0.00 C ATOM 1419 C ASP A 90 16.942 -3.560 10.619 1.00 0.00 C ATOM 1420 O ASP A 90 18.166 -3.655 10.706 1.00 0.00 O ATOM 1421 CB ASP A 90 16.205 -1.202 10.228 1.00 0.00 C ATOM 1422 CG ASP A 90 17.400 -0.338 9.880 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.607 -0.065 8.679 1.00 0.00 O ATOM 1424 OD2 ASP A 90 18.131 0.068 10.809 1.00 0.00 O ATOM 0 H ASP A 90 14.203 -2.618 9.704 1.00 0.00 H new ATOM 0 HA ASP A 90 16.925 -2.562 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.295 -0.717 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.123 -1.285 11.312 1.00 0.00 H new ATOM 1429 N LYS A 91 16.106 -4.270 11.373 1.00 0.00 N ATOM 1430 CA LYS A 91 16.592 -5.221 12.368 1.00 0.00 C ATOM 1431 C LYS A 91 17.504 -6.261 11.727 1.00 0.00 C ATOM 1432 O LYS A 91 18.527 -6.640 12.298 1.00 0.00 O ATOM 1433 CB LYS A 91 15.418 -5.920 13.057 1.00 0.00 C ATOM 1434 CG LYS A 91 14.286 -4.979 13.437 1.00 0.00 C ATOM 1435 CD LYS A 91 13.309 -5.640 14.396 1.00 0.00 C ATOM 1436 CE LYS A 91 13.684 -5.375 15.845 1.00 0.00 C ATOM 1437 NZ LYS A 91 12.486 -5.327 16.728 1.00 0.00 N ATOM 0 H LYS A 91 15.090 -4.204 11.314 1.00 0.00 H new ATOM 0 HA LYS A 91 17.164 -4.665 13.111 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.029 -6.694 12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.780 -6.420 13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.697 -4.081 13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.757 -4.663 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.303 -5.267 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.291 -6.715 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.361 -6.155 16.193 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.224 -4.431 15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.784 -5.144 17.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.852 -4.566 16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.985 -6.237 16.683 1.00 0.00 H new ATOM 1451 N LEU A 92 17.128 -6.719 10.539 1.00 0.00 N ATOM 1452 CA LEU A 92 17.914 -7.716 9.821 1.00 0.00 C ATOM 1453 C LEU A 92 18.818 -7.056 8.785 1.00 0.00 C ATOM 1454 O LEU A 92 19.014 -7.586 7.692 1.00 0.00 O ATOM 1455 CB LEU A 92 16.991 -8.730 9.143 1.00 0.00 C ATOM 1456 CG LEU A 92 15.792 -9.179 9.981 1.00 0.00 C ATOM 1457 CD1 LEU A 92 14.531 -8.447 9.545 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.598 -10.684 9.877 1.00 0.00 C ATOM 0 H LEU A 92 16.284 -6.416 10.052 1.00 0.00 H new ATOM 0 HA LEU A 92 18.544 -8.236 10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.623 -8.297 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.577 -9.609 8.875 1.00 0.00 H new ATOM 0 HG LEU A 92 15.991 -8.931 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.689 -8.779 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.670 -7.374 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.329 -8.663 8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.741 -10.983 10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.423 -10.957 8.836 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.492 -11.192 10.240 1.00 0.00 H new ATOM 1470 N LYS A 93 19.364 -5.897 9.135 1.00 0.00 N ATOM 1471 CA LYS A 93 20.246 -5.164 8.234 1.00 0.00 C ATOM 1472 C LYS A 93 21.292 -4.377 9.019 1.00 0.00 C ATOM 1473 O LYS A 93 21.731 -3.310 8.588 1.00 0.00 O ATOM 1474 CB LYS A 93 19.434 -4.217 7.350 1.00 0.00 C ATOM 1475 CG LYS A 93 20.220 -3.661 6.171 1.00 0.00 C ATOM 1476 CD LYS A 93 19.340 -3.505 4.942 1.00 0.00 C ATOM 1477 CE LYS A 93 19.295 -4.785 4.122 1.00 0.00 C ATOM 1478 NZ LYS A 93 18.132 -4.808 3.193 1.00 0.00 N ATOM 0 H LYS A 93 19.212 -5.445 10.036 1.00 0.00 H new ATOM 0 HA LYS A 93 20.761 -5.887 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.557 -4.745 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.071 -3.388 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.647 -2.695 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.053 -4.325 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.330 -3.233 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.717 -2.689 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.218 -4.883 3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.242 -5.643 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.137 -5.696 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.250 -4.740 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.196 -4.003 2.537 1.00 0.00 H new ATOM 1492 N GLN A 94 21.686 -4.909 10.170 1.00 0.00 N ATOM 1493 CA GLN A 94 22.678 -4.256 11.014 1.00 0.00 C ATOM 1494 C GLN A 94 24.084 -4.449 10.451 1.00 0.00 C ATOM 1495 O GLN A 94 24.960 -3.604 10.641 1.00 0.00 O ATOM 1496 CB GLN A 94 22.608 -4.807 12.440 1.00 0.00 C ATOM 1497 CG GLN A 94 22.870 -6.301 12.528 1.00 0.00 C ATOM 1498 CD GLN A 94 22.052 -6.973 13.614 1.00 0.00 C ATOM 1499 OE1 GLN A 94 20.919 -7.396 13.381 1.00 0.00 O ATOM 1500 NE2 GLN A 94 22.622 -7.074 14.808 1.00 0.00 N ATOM 0 H GLN A 94 21.333 -5.792 10.540 1.00 0.00 H new ATOM 0 HA GLN A 94 22.456 -3.189 11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 94 23.335 -4.282 13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 94 21.623 -4.594 12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 94 22.642 -6.763 11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 94 23.930 -6.470 12.719 1.00 0.00 H new ATOM 0 HE21 GLN A 94 23.563 -6.710 14.956 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.119 -7.516 15.577 1.00 0.00 H new ATOM 1509 N HIS A 95 24.292 -5.565 9.761 1.00 0.00 N ATOM 1510 CA HIS A 95 25.592 -5.867 9.171 1.00 0.00 C ATOM 1511 C HIS A 95 26.668 -5.968 10.247 1.00 0.00 C ATOM 1512 O HIS A 95 27.861 -6.049 9.884 1.00 0.00 O ATOM 1513 CB HIS A 95 25.974 -4.796 8.148 1.00 0.00 C ATOM 1514 CG HIS A 95 25.165 -4.852 6.891 1.00 0.00 C ATOM 1515 ND1 HIS A 95 25.347 -5.814 5.919 1.00 0.00 N ATOM 1516 CD2 HIS A 95 24.162 -4.057 6.447 1.00 0.00 C ATOM 1517 CE1 HIS A 95 24.493 -5.608 4.933 1.00 0.00 C ATOM 1518 NE2 HIS A 95 23.763 -4.549 5.228 1.00 0.00 N ATOM 1519 OXT HIS A 95 26.311 -5.964 11.442 1.00 0.00 O ATOM 0 H HIS A 95 23.578 -6.275 9.596 1.00 0.00 H new ATOM 0 HA HIS A 95 25.518 -6.830 8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 95 25.855 -3.813 8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 95 27.029 -4.906 7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 95 23.753 -3.197 6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 95 24.407 -6.205 4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 95 23.022 -4.159 4.645 1.00 0.00 H new TER 1528 HIS A 95