USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 984 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: B 41 TYR OH : rot -144:sc= 0.803 USER MOD Set 1.2: B 74 HIS : no HD1:sc= 0.0287 K(o=0.83,f=-3.3) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.0103! C(o=1.3!,f=-9.9!) USER MOD Set 3.1: A 24 MET CE :methyl -172:sc= -1.37 (180deg=-0.74) USER MOD Set 3.2: A 27 TYR OH : rot -143:sc= 0.374 USER MOD Set 3.3: A 60 HIS : no HE2:sc= 0.0533 K(o=-0.94,f=-8.1!) USER MOD Set 4.1: A 14 THR OG1 : rot -43:sc= -0.0751 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.182 USER MOD Single : A 21 SER OG : rot -97:sc= 1.34 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.56 (180deg=1.47) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 26 GLN : amide:sc= 1 K(o=1,f=-7.6!) USER MOD Single : A 28 THR OG1 : rot 111:sc= 0.672 USER MOD Single : A 30 HIS : no HD1:sc= -0.621 K(o=-0.62,f=-1.7) USER MOD Single : A 32 MET CE :methyl -160:sc= 0 (180deg=-0.0117) USER MOD Single : A 36 TYR OH : rot -178:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0672 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.12) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 45 MET CE :methyl -111:sc= -1.05 (180deg=-2.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0621 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 1.39 (180deg=1.24) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 74:sc= -2.89! USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.14) USER MOD Single : A 74 GLN : amide:sc= -0.436 K(o=-0.44,f=-3.2!) USER MOD Single : A 76 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 77 THR OG1 : rot 50:sc= 0.469 USER MOD Single : B 29 MET CE :methyl -169:sc= -0.395 (180deg=-0.555) USER MOD Single : B 30 SER OG : rot -82:sc= 1.32 USER MOD Single : B 47 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 48 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.6!) USER MOD Single : B 57 SER OG : rot 59:sc= 1.19 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : B 70 GLN : amide:sc= 1.07 K(o=1.1,f=-1) USER MOD Single : B 75 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.09) USER MOD Single : B 81 THR OG1 : rot 78:sc= 0.819 USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -136:sc= 1.03 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.687 -7.461 8.089 1.00 0.00 N ATOM 2 CA THR A 14 -15.283 -6.109 8.129 1.00 0.00 C ATOM 3 C THR A 14 -14.469 -5.123 7.296 1.00 0.00 C ATOM 4 O THR A 14 -13.335 -5.409 6.912 1.00 0.00 O ATOM 5 CB THR A 14 -15.360 -5.591 9.574 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.134 -5.885 10.252 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.526 -6.221 10.318 1.00 0.00 C ATOM 0 HA THR A 14 -16.287 -6.187 7.713 1.00 0.00 H new ATOM 0 HB THR A 14 -15.517 -4.513 9.548 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.852 -6.798 10.036 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.557 -5.837 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.458 -5.975 9.809 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.400 -7.303 10.342 1.00 0.00 H new ATOM 15 N VAL A 15 -15.067 -3.966 7.019 1.00 0.00 N ATOM 16 CA VAL A 15 -14.409 -2.915 6.240 1.00 0.00 C ATOM 17 C VAL A 15 -13.103 -2.480 6.908 1.00 0.00 C ATOM 18 O VAL A 15 -12.099 -2.239 6.239 1.00 0.00 O ATOM 19 CB VAL A 15 -15.323 -1.679 6.071 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.730 -0.699 5.069 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.722 -2.099 5.646 1.00 0.00 C ATOM 0 H VAL A 15 -16.011 -3.730 7.324 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.195 -3.334 5.257 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.394 -1.177 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.391 0.162 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.753 -0.367 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.621 -1.189 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.349 -1.214 5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.669 -2.631 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.152 -2.753 6.404 1.00 0.00 H new ATOM 31 N SER A 16 -13.127 -2.410 8.232 1.00 0.00 N ATOM 32 CA SER A 16 -11.969 -2.007 9.013 1.00 0.00 C ATOM 33 C SER A 16 -10.787 -2.950 8.794 1.00 0.00 C ATOM 34 O SER A 16 -9.660 -2.500 8.593 1.00 0.00 O ATOM 35 CB SER A 16 -12.360 -1.977 10.487 1.00 0.00 C ATOM 36 OG SER A 16 -13.759 -2.189 10.626 1.00 0.00 O ATOM 0 H SER A 16 -13.950 -2.631 8.793 1.00 0.00 H new ATOM 0 HA SER A 16 -11.652 -1.016 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.812 -2.745 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.084 -1.018 10.925 1.00 0.00 H new ATOM 0 HG SER A 16 -14.000 -2.170 11.576 1.00 0.00 H new ATOM 42 N GLU A 17 -11.055 -4.254 8.803 1.00 0.00 N ATOM 43 CA GLU A 17 -10.010 -5.257 8.610 1.00 0.00 C ATOM 44 C GLU A 17 -9.351 -5.119 7.246 1.00 0.00 C ATOM 45 O GLU A 17 -8.163 -5.399 7.088 1.00 0.00 O ATOM 46 CB GLU A 17 -10.586 -6.662 8.748 1.00 0.00 C ATOM 47 CG GLU A 17 -11.081 -6.985 10.142 1.00 0.00 C ATOM 48 CD GLU A 17 -11.654 -8.378 10.225 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.709 -8.623 9.610 1.00 0.00 O ATOM 50 OE2 GLU A 17 -11.038 -9.239 10.885 1.00 0.00 O ATOM 0 H GLU A 17 -11.988 -4.641 8.942 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.256 -5.092 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.410 -6.778 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.822 -7.387 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.259 -6.887 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.842 -6.261 10.434 1.00 0.00 H new ATOM 57 N TRP A 18 -10.132 -4.685 6.270 1.00 0.00 N ATOM 58 CA TRP A 18 -9.647 -4.510 4.909 1.00 0.00 C ATOM 59 C TRP A 18 -8.758 -3.272 4.808 1.00 0.00 C ATOM 60 O TRP A 18 -7.749 -3.268 4.110 1.00 0.00 O ATOM 61 CB TRP A 18 -10.839 -4.396 3.951 1.00 0.00 C ATOM 62 CG TRP A 18 -10.455 -4.155 2.524 1.00 0.00 C ATOM 63 CD1 TRP A 18 -9.898 -5.053 1.662 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.604 -2.933 1.792 1.00 0.00 C ATOM 65 NE1 TRP A 18 -9.693 -4.466 0.438 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.114 -3.163 0.495 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.104 -1.667 2.110 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.110 -2.173 -0.485 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.097 -0.687 1.137 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.604 -0.944 -0.146 1.00 0.00 C ATOM 0 H TRP A 18 -11.115 -4.445 6.397 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.048 -5.377 4.632 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.426 -5.312 4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.483 -3.583 4.285 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.654 -6.076 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.293 -4.925 -0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.488 -1.459 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.730 -2.369 -1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.479 0.296 1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.614 -0.156 -0.884 1.00 0.00 H new ATOM 81 N LEU A 19 -9.136 -2.231 5.528 1.00 0.00 N ATOM 82 CA LEU A 19 -8.385 -0.987 5.514 1.00 0.00 C ATOM 83 C LEU A 19 -7.155 -1.049 6.416 1.00 0.00 C ATOM 84 O LEU A 19 -6.135 -0.422 6.126 1.00 0.00 O ATOM 85 CB LEU A 19 -9.288 0.175 5.925 1.00 0.00 C ATOM 86 CG LEU A 19 -10.224 0.677 4.823 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.396 1.437 5.417 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.466 1.556 3.839 1.00 0.00 C ATOM 0 H LEU A 19 -9.959 -2.222 6.130 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.031 -0.827 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.889 -0.134 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.663 1.004 6.257 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.613 -0.189 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.048 1.784 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.957 0.780 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.026 2.293 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.147 1.904 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.047 2.414 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.660 0.981 3.383 1.00 0.00 H new ATOM 100 N GLU A 20 -7.231 -1.805 7.506 1.00 0.00 N ATOM 101 CA GLU A 20 -6.104 -1.900 8.429 1.00 0.00 C ATOM 102 C GLU A 20 -4.988 -2.781 7.875 1.00 0.00 C ATOM 103 O GLU A 20 -3.811 -2.485 8.074 1.00 0.00 O ATOM 104 CB GLU A 20 -6.553 -2.397 9.808 1.00 0.00 C ATOM 105 CG GLU A 20 -6.955 -3.859 9.851 1.00 0.00 C ATOM 106 CD GLU A 20 -7.486 -4.266 11.209 1.00 0.00 C ATOM 107 OE1 GLU A 20 -6.669 -4.515 12.119 1.00 0.00 O ATOM 108 OE2 GLU A 20 -8.719 -4.326 11.379 1.00 0.00 O ATOM 0 H GLU A 20 -8.049 -2.354 7.771 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.703 -0.893 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.743 -2.235 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.396 -1.792 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.716 -4.047 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.094 -4.478 9.599 1.00 0.00 H new ATOM 115 N SER A 21 -5.350 -3.853 7.185 1.00 0.00 N ATOM 116 CA SER A 21 -4.353 -4.754 6.606 1.00 0.00 C ATOM 117 C SER A 21 -3.389 -4.018 5.675 1.00 0.00 C ATOM 118 O SER A 21 -2.192 -4.296 5.662 1.00 0.00 O ATOM 119 CB SER A 21 -5.034 -5.894 5.858 1.00 0.00 C ATOM 120 OG SER A 21 -6.252 -5.473 5.279 1.00 0.00 O ATOM 0 H SER A 21 -6.318 -4.122 7.011 1.00 0.00 H new ATOM 0 HA SER A 21 -3.770 -5.163 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.370 -6.269 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.221 -6.721 6.543 1.00 0.00 H new ATOM 0 HG SER A 21 -6.996 -5.720 5.867 1.00 0.00 H new ATOM 126 N ILE A 22 -3.913 -3.058 4.919 1.00 0.00 N ATOM 127 CA ILE A 22 -3.100 -2.286 3.985 1.00 0.00 C ATOM 128 C ILE A 22 -2.578 -1.013 4.632 1.00 0.00 C ATOM 129 O ILE A 22 -1.865 -0.240 3.994 1.00 0.00 O ATOM 130 CB ILE A 22 -3.879 -1.938 2.699 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.272 -1.415 3.043 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.955 -3.161 1.813 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.048 -0.901 1.850 1.00 0.00 C ATOM 0 H ILE A 22 -4.899 -2.796 4.935 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.253 -2.915 3.711 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.357 -1.148 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.842 -2.214 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.177 -0.613 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.505 -2.918 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.947 -3.485 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.468 -3.963 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.026 -0.548 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.501 -0.079 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.176 -1.705 1.126 1.00 0.00 H new ATOM 145 N LYS A 23 -2.937 -0.804 5.902 1.00 0.00 N ATOM 146 CA LYS A 23 -2.495 0.371 6.662 1.00 0.00 C ATOM 147 C LYS A 23 -3.082 1.671 6.107 1.00 0.00 C ATOM 148 O LYS A 23 -2.392 2.678 5.974 1.00 0.00 O ATOM 149 CB LYS A 23 -0.960 0.444 6.725 1.00 0.00 C ATOM 150 CG LYS A 23 -0.365 -0.447 7.806 1.00 0.00 C ATOM 151 CD LYS A 23 -0.645 0.101 9.201 1.00 0.00 C ATOM 152 CE LYS A 23 -0.485 -0.968 10.274 1.00 0.00 C ATOM 153 NZ LYS A 23 0.893 -1.520 10.314 1.00 0.00 N ATOM 0 H LYS A 23 -3.537 -1.438 6.429 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.874 0.255 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.548 0.156 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.658 1.476 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.779 -1.452 7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.711 -0.532 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.033 0.928 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.658 0.503 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.733 -0.544 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.193 -1.776 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.947 -2.267 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.135 -1.918 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.564 -0.762 10.551 1.00 0.00 H new ATOM 167 N MET A 24 -4.373 1.634 5.817 1.00 0.00 N ATOM 168 CA MET A 24 -5.099 2.795 5.318 1.00 0.00 C ATOM 169 C MET A 24 -6.328 3.000 6.192 1.00 0.00 C ATOM 170 O MET A 24 -7.338 3.569 5.774 1.00 0.00 O ATOM 171 CB MET A 24 -5.523 2.569 3.865 1.00 0.00 C ATOM 172 CG MET A 24 -4.359 2.361 2.914 1.00 0.00 C ATOM 173 SD MET A 24 -3.411 3.865 2.635 1.00 0.00 S ATOM 174 CE MET A 24 -1.991 3.203 1.771 1.00 0.00 C ATOM 0 H MET A 24 -4.949 0.798 5.920 1.00 0.00 H new ATOM 0 HA MET A 24 -4.460 3.677 5.354 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.178 1.699 3.818 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.106 3.426 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.700 1.591 3.316 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.736 1.992 1.960 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.241 3.985 1.652 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.568 2.379 2.345 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.298 2.842 0.789 1.00 0.00 H new ATOM 184 N GLN A 25 -6.202 2.540 7.429 1.00 0.00 N ATOM 185 CA GLN A 25 -7.280 2.584 8.408 1.00 0.00 C ATOM 186 C GLN A 25 -7.710 3.999 8.782 1.00 0.00 C ATOM 187 O GLN A 25 -8.804 4.178 9.314 1.00 0.00 O ATOM 188 CB GLN A 25 -6.880 1.812 9.666 1.00 0.00 C ATOM 189 CG GLN A 25 -5.419 1.978 10.050 1.00 0.00 C ATOM 190 CD GLN A 25 -5.083 1.339 11.384 1.00 0.00 C ATOM 191 OE1 GLN A 25 -5.831 0.314 11.760 1.00 0.00 O flip ATOM 192 NE2 GLN A 25 -4.158 1.765 12.070 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.342 2.122 7.784 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.142 2.114 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.504 2.142 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.087 0.753 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.792 1.538 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.178 3.040 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.605 2.558 11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.943 1.326 12.965 1.00 0.00 H new ATOM 201 N GLN A 26 -6.895 5.012 8.512 1.00 0.00 N ATOM 202 CA GLN A 26 -7.271 6.378 8.851 1.00 0.00 C ATOM 203 C GLN A 26 -8.122 6.988 7.743 1.00 0.00 C ATOM 204 O GLN A 26 -8.595 8.118 7.854 1.00 0.00 O ATOM 205 CB GLN A 26 -6.016 7.232 9.091 1.00 0.00 C ATOM 206 CG GLN A 26 -5.207 7.540 7.833 1.00 0.00 C ATOM 207 CD GLN A 26 -4.165 6.480 7.510 1.00 0.00 C ATOM 208 OE1 GLN A 26 -4.372 5.289 7.735 1.00 0.00 O ATOM 209 NE2 GLN A 26 -3.033 6.909 6.977 1.00 0.00 N ATOM 0 H GLN A 26 -5.983 4.916 8.066 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.860 6.357 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.315 8.172 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.372 6.716 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.888 7.639 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.710 8.502 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.896 7.905 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.297 6.244 6.739 1.00 0.00 H new ATOM 218 N TYR A 27 -8.304 6.243 6.662 1.00 0.00 N ATOM 219 CA TYR A 27 -9.110 6.714 5.549 1.00 0.00 C ATOM 220 C TYR A 27 -10.531 6.180 5.669 1.00 0.00 C ATOM 221 O TYR A 27 -11.406 6.544 4.886 1.00 0.00 O ATOM 222 CB TYR A 27 -8.501 6.282 4.212 1.00 0.00 C ATOM 223 CG TYR A 27 -7.199 6.974 3.869 1.00 0.00 C ATOM 224 CD1 TYR A 27 -7.190 8.240 3.299 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.978 6.353 4.105 1.00 0.00 C ATOM 226 CE1 TYR A 27 -6.002 8.868 2.973 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.788 6.974 3.785 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.804 8.231 3.217 1.00 0.00 C ATOM 229 OH TYR A 27 -3.616 8.851 2.893 1.00 0.00 O ATOM 0 H TYR A 27 -7.905 5.313 6.534 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.132 7.803 5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.332 5.205 4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.222 6.476 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.126 8.743 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.960 5.367 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.013 9.853 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.848 6.478 3.978 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.976 8.183 2.568 1.00 0.00 H new ATOM 239 N THR A 28 -10.749 5.332 6.672 1.00 0.00 N ATOM 240 CA THR A 28 -12.051 4.718 6.914 1.00 0.00 C ATOM 241 C THR A 28 -13.152 5.762 7.036 1.00 0.00 C ATOM 242 O THR A 28 -14.242 5.597 6.479 1.00 0.00 O ATOM 243 CB THR A 28 -12.023 3.866 8.198 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.886 2.993 8.177 1.00 0.00 O ATOM 245 CG2 THR A 28 -13.293 3.041 8.343 1.00 0.00 C ATOM 0 H THR A 28 -10.029 5.052 7.338 1.00 0.00 H new ATOM 0 HA THR A 28 -12.266 4.082 6.055 1.00 0.00 H new ATOM 0 HB THR A 28 -11.955 4.543 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.238 3.284 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.241 2.452 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.156 3.706 8.388 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.393 2.374 7.487 1.00 0.00 H new ATOM 253 N GLU A 29 -12.866 6.837 7.761 1.00 0.00 N ATOM 254 CA GLU A 29 -13.828 7.908 7.963 1.00 0.00 C ATOM 255 C GLU A 29 -14.336 8.464 6.633 1.00 0.00 C ATOM 256 O GLU A 29 -15.538 8.675 6.467 1.00 0.00 O ATOM 257 CB GLU A 29 -13.197 9.024 8.805 1.00 0.00 C ATOM 258 CG GLU A 29 -13.068 8.677 10.287 1.00 0.00 C ATOM 259 CD GLU A 29 -12.203 7.457 10.548 1.00 0.00 C ATOM 260 OE1 GLU A 29 -11.145 7.320 9.902 1.00 0.00 O ATOM 261 OE2 GLU A 29 -12.583 6.625 11.396 1.00 0.00 O ATOM 0 H GLU A 29 -11.968 6.988 8.221 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.686 7.497 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.208 9.252 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.798 9.928 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.647 9.531 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.062 8.503 10.700 1.00 0.00 H new ATOM 268 N HIS A 30 -13.431 8.693 5.685 1.00 0.00 N ATOM 269 CA HIS A 30 -13.818 9.219 4.379 1.00 0.00 C ATOM 270 C HIS A 30 -14.659 8.198 3.623 1.00 0.00 C ATOM 271 O HIS A 30 -15.688 8.540 3.038 1.00 0.00 O ATOM 272 CB HIS A 30 -12.580 9.579 3.548 1.00 0.00 C ATOM 273 CG HIS A 30 -11.503 10.277 4.323 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.253 9.744 4.539 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.509 11.485 4.940 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.553 10.620 5.267 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.269 11.696 5.537 1.00 0.00 N ATOM 0 H HIS A 30 -12.431 8.524 5.795 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.408 10.121 4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.168 8.667 3.116 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.886 10.216 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.342 12.172 4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.534 10.467 5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.975 12.513 6.072 1.00 0.00 H new ATOM 285 N PHE A 31 -14.216 6.944 3.654 1.00 0.00 N ATOM 286 CA PHE A 31 -14.916 5.854 2.981 1.00 0.00 C ATOM 287 C PHE A 31 -16.356 5.759 3.467 1.00 0.00 C ATOM 288 O PHE A 31 -17.299 5.745 2.671 1.00 0.00 O ATOM 289 CB PHE A 31 -14.211 4.519 3.251 1.00 0.00 C ATOM 290 CG PHE A 31 -13.071 4.212 2.321 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.898 4.946 2.370 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.169 3.175 1.408 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.844 4.654 1.527 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.120 2.880 0.559 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.957 3.620 0.620 1.00 0.00 C ATOM 0 H PHE A 31 -13.368 6.656 4.142 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.909 6.062 1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.836 4.522 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.945 3.716 3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.806 5.757 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.076 2.590 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.934 5.233 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.210 2.071 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.135 3.390 -0.042 1.00 0.00 H new ATOM 305 N MET A 32 -16.512 5.720 4.782 1.00 0.00 N ATOM 306 CA MET A 32 -17.822 5.599 5.399 1.00 0.00 C ATOM 307 C MET A 32 -18.686 6.831 5.158 1.00 0.00 C ATOM 308 O MET A 32 -19.909 6.721 5.061 1.00 0.00 O ATOM 309 CB MET A 32 -17.679 5.330 6.896 1.00 0.00 C ATOM 310 CG MET A 32 -17.163 3.935 7.206 1.00 0.00 C ATOM 311 SD MET A 32 -17.501 3.423 8.903 1.00 0.00 S ATOM 312 CE MET A 32 -16.870 1.746 8.882 1.00 0.00 C ATOM 0 H MET A 32 -15.740 5.771 5.446 1.00 0.00 H new ATOM 0 HA MET A 32 -18.327 4.755 4.930 1.00 0.00 H new ATOM 0 HB2 MET A 32 -17.001 6.066 7.328 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.647 5.468 7.378 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.620 3.223 6.519 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.088 3.903 7.029 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.308 1.182 9.706 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.133 1.270 7.937 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.786 1.764 8.990 1.00 0.00 H new ATOM 322 N ALA A 33 -18.068 8.002 5.045 1.00 0.00 N ATOM 323 CA ALA A 33 -18.821 9.228 4.809 1.00 0.00 C ATOM 324 C ALA A 33 -19.312 9.285 3.367 1.00 0.00 C ATOM 325 O ALA A 33 -20.382 9.820 3.081 1.00 0.00 O ATOM 326 CB ALA A 33 -17.971 10.449 5.132 1.00 0.00 C ATOM 0 H ALA A 33 -17.058 8.128 5.112 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.689 9.230 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.550 11.354 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.670 10.416 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.084 10.452 4.499 1.00 0.00 H new ATOM 332 N ALA A 34 -18.526 8.707 2.465 1.00 0.00 N ATOM 333 CA ALA A 34 -18.873 8.677 1.051 1.00 0.00 C ATOM 334 C ALA A 34 -20.000 7.688 0.790 1.00 0.00 C ATOM 335 O ALA A 34 -20.626 7.711 -0.269 1.00 0.00 O ATOM 336 CB ALA A 34 -17.654 8.328 0.212 1.00 0.00 C ATOM 0 H ALA A 34 -17.641 8.252 2.690 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.219 9.670 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.931 8.310 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.877 9.076 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.279 7.348 0.506 1.00 0.00 H new ATOM 342 N GLY A 35 -20.253 6.816 1.760 1.00 0.00 N ATOM 343 CA GLY A 35 -21.319 5.846 1.619 1.00 0.00 C ATOM 344 C GLY A 35 -20.834 4.412 1.664 1.00 0.00 C ATOM 345 O GLY A 35 -21.637 3.482 1.671 1.00 0.00 O ATOM 0 H GLY A 35 -19.739 6.765 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.049 6.000 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.835 6.018 0.674 1.00 0.00 H new ATOM 349 N TYR A 36 -19.524 4.222 1.705 1.00 0.00 N ATOM 350 CA TYR A 36 -18.963 2.882 1.744 1.00 0.00 C ATOM 351 C TYR A 36 -18.803 2.424 3.187 1.00 0.00 C ATOM 352 O TYR A 36 -17.693 2.336 3.710 1.00 0.00 O ATOM 353 CB TYR A 36 -17.621 2.844 1.010 1.00 0.00 C ATOM 354 CG TYR A 36 -17.663 3.524 -0.339 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.416 2.995 -1.377 1.00 0.00 C ATOM 356 CD2 TYR A 36 -16.960 4.698 -0.571 1.00 0.00 C ATOM 357 CE1 TYR A 36 -18.467 3.615 -2.610 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.006 5.324 -1.800 1.00 0.00 C ATOM 359 CZ TYR A 36 -17.761 4.779 -2.815 1.00 0.00 C ATOM 360 OH TYR A 36 -17.809 5.401 -4.039 1.00 0.00 O ATOM 0 H TYR A 36 -18.834 4.974 1.712 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.646 2.199 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.862 3.323 1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.315 1.806 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.972 2.083 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.368 5.128 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.057 3.189 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.453 6.237 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.231 6.192 -4.027 1.00 0.00 H new ATOM 370 N THR A 37 -19.928 2.140 3.823 1.00 0.00 N ATOM 371 CA THR A 37 -19.945 1.697 5.204 1.00 0.00 C ATOM 372 C THR A 37 -19.957 0.175 5.290 1.00 0.00 C ATOM 373 O THR A 37 -19.969 -0.398 6.380 1.00 0.00 O ATOM 374 CB THR A 37 -21.183 2.258 5.924 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.055 2.872 4.962 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.786 3.278 6.980 1.00 0.00 C ATOM 0 H THR A 37 -20.852 2.210 3.396 1.00 0.00 H new ATOM 0 HA THR A 37 -19.041 2.068 5.687 1.00 0.00 H new ATOM 0 HB THR A 37 -21.697 1.436 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.846 3.229 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.681 3.658 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.138 2.805 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.254 4.103 6.507 1.00 0.00 H new ATOM 384 N ALA A 38 -19.931 -0.474 4.132 1.00 0.00 N ATOM 385 CA ALA A 38 -19.956 -1.927 4.068 1.00 0.00 C ATOM 386 C ALA A 38 -19.232 -2.415 2.816 1.00 0.00 C ATOM 387 O ALA A 38 -19.106 -1.672 1.839 1.00 0.00 O ATOM 388 CB ALA A 38 -21.390 -2.433 4.106 1.00 0.00 C ATOM 0 H ALA A 38 -19.892 -0.013 3.223 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.434 -2.328 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.393 -3.522 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.865 -2.110 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.941 -2.030 3.256 1.00 0.00 H new ATOM 394 N ILE A 39 -18.784 -3.664 2.850 1.00 0.00 N ATOM 395 CA ILE A 39 -18.031 -4.266 1.746 1.00 0.00 C ATOM 396 C ILE A 39 -18.778 -4.212 0.410 1.00 0.00 C ATOM 397 O ILE A 39 -18.171 -3.908 -0.620 1.00 0.00 O ATOM 398 CB ILE A 39 -17.654 -5.731 2.066 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.724 -5.785 3.284 1.00 0.00 C ATOM 400 CG2 ILE A 39 -16.998 -6.406 0.866 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.417 -5.038 3.097 1.00 0.00 C ATOM 0 H ILE A 39 -18.930 -4.291 3.641 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.126 -3.667 1.641 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.571 -6.274 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.247 -5.371 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.505 -6.827 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.744 -7.435 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.689 -6.401 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.091 -5.865 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.816 -5.124 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.870 -5.466 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.624 -3.987 2.898 1.00 0.00 H new ATOM 413 N GLU A 40 -20.083 -4.482 0.418 1.00 0.00 N ATOM 414 CA GLU A 40 -20.871 -4.470 -0.821 1.00 0.00 C ATOM 415 C GLU A 40 -20.778 -3.120 -1.516 1.00 0.00 C ATOM 416 O GLU A 40 -20.782 -3.043 -2.738 1.00 0.00 O ATOM 417 CB GLU A 40 -22.348 -4.794 -0.564 1.00 0.00 C ATOM 418 CG GLU A 40 -22.595 -5.724 0.608 1.00 0.00 C ATOM 419 CD GLU A 40 -22.583 -4.988 1.924 1.00 0.00 C ATOM 420 OE1 GLU A 40 -23.497 -4.172 2.164 1.00 0.00 O ATOM 421 OE2 GLU A 40 -21.640 -5.200 2.710 1.00 0.00 O ATOM 0 H GLU A 40 -20.615 -4.710 1.258 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.448 -5.243 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.886 -3.862 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.770 -5.244 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.556 -6.222 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -21.832 -6.502 0.621 1.00 0.00 H new ATOM 428 N LYS A 41 -20.690 -2.058 -0.731 1.00 0.00 N ATOM 429 CA LYS A 41 -20.600 -0.716 -1.283 1.00 0.00 C ATOM 430 C LYS A 41 -19.169 -0.427 -1.724 1.00 0.00 C ATOM 431 O LYS A 41 -18.941 0.241 -2.730 1.00 0.00 O ATOM 432 CB LYS A 41 -21.064 0.321 -0.256 1.00 0.00 C ATOM 433 CG LYS A 41 -22.527 0.175 0.146 1.00 0.00 C ATOM 434 CD LYS A 41 -22.681 -0.629 1.428 1.00 0.00 C ATOM 435 CE LYS A 41 -24.143 -0.804 1.814 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.741 -2.021 1.202 1.00 0.00 N ATOM 0 H LYS A 41 -20.679 -2.099 0.288 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.255 -0.652 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.442 0.240 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.907 1.319 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.968 1.163 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.078 -0.313 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.219 -1.608 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.149 -0.128 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.226 -0.866 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.708 0.074 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.770 -1.898 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.334 -2.170 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.538 -2.847 1.801 1.00 0.00 H new ATOM 450 N VAL A 42 -18.213 -0.959 -0.972 1.00 0.00 N ATOM 451 CA VAL A 42 -16.798 -0.769 -1.268 1.00 0.00 C ATOM 452 C VAL A 42 -16.442 -1.329 -2.644 1.00 0.00 C ATOM 453 O VAL A 42 -15.703 -0.707 -3.402 1.00 0.00 O ATOM 454 CB VAL A 42 -15.907 -1.433 -0.190 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.435 -1.364 -0.572 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.129 -0.778 1.164 1.00 0.00 C ATOM 0 H VAL A 42 -18.394 -1.530 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.610 0.305 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.192 -2.483 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.835 -1.838 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.280 -1.883 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.135 -0.321 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.494 -1.258 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.878 0.281 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.174 -0.887 1.454 1.00 0.00 H new ATOM 466 N VAL A 43 -16.992 -2.491 -2.980 1.00 0.00 N ATOM 467 CA VAL A 43 -16.707 -3.115 -4.270 1.00 0.00 C ATOM 468 C VAL A 43 -17.453 -2.425 -5.413 1.00 0.00 C ATOM 469 O VAL A 43 -17.186 -2.694 -6.585 1.00 0.00 O ATOM 470 CB VAL A 43 -17.049 -4.623 -4.273 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.237 -5.360 -3.222 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.538 -4.849 -4.057 1.00 0.00 C ATOM 0 H VAL A 43 -17.632 -3.017 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.635 -3.000 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.788 -5.023 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.493 -6.419 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.174 -5.240 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.460 -4.951 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.748 -5.918 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.835 -4.427 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.099 -4.364 -4.855 1.00 0.00 H new ATOM 482 N GLN A 44 -18.372 -1.529 -5.071 1.00 0.00 N ATOM 483 CA GLN A 44 -19.146 -0.811 -6.077 1.00 0.00 C ATOM 484 C GLN A 44 -18.387 0.408 -6.585 1.00 0.00 C ATOM 485 O GLN A 44 -18.642 0.886 -7.691 1.00 0.00 O ATOM 486 CB GLN A 44 -20.500 -0.381 -5.514 1.00 0.00 C ATOM 487 CG GLN A 44 -21.479 -1.529 -5.345 1.00 0.00 C ATOM 488 CD GLN A 44 -22.746 -1.116 -4.624 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.194 0.025 -4.731 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.328 -2.041 -3.879 1.00 0.00 N ATOM 0 H GLN A 44 -18.599 -1.283 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.311 -1.491 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.346 0.100 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.939 0.366 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.738 -1.928 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.996 -2.334 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.923 -2.975 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.181 -1.820 -3.366 1.00 0.00 H new ATOM 499 N MET A 45 -17.469 0.916 -5.769 1.00 0.00 N ATOM 500 CA MET A 45 -16.670 2.080 -6.143 1.00 0.00 C ATOM 501 C MET A 45 -15.784 1.780 -7.350 1.00 0.00 C ATOM 502 O MET A 45 -15.706 0.640 -7.817 1.00 0.00 O ATOM 503 CB MET A 45 -15.805 2.550 -4.966 1.00 0.00 C ATOM 504 CG MET A 45 -14.520 1.754 -4.779 1.00 0.00 C ATOM 505 SD MET A 45 -13.453 2.438 -3.497 1.00 0.00 S ATOM 506 CE MET A 45 -14.521 2.315 -2.067 1.00 0.00 C ATOM 0 H MET A 45 -17.259 0.541 -4.844 1.00 0.00 H new ATOM 0 HA MET A 45 -17.363 2.877 -6.413 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.551 3.600 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.393 2.489 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 45 -14.770 0.724 -4.525 1.00 0.00 H new ATOM 0 HG3 MET A 45 -13.975 1.727 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.818 3.314 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.409 1.737 -2.325 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.988 1.819 -1.256 1.00 0.00 H new ATOM 516 N THR A 46 -15.080 2.798 -7.819 1.00 0.00 N ATOM 517 CA THR A 46 -14.210 2.654 -8.966 1.00 0.00 C ATOM 518 C THR A 46 -12.830 3.208 -8.622 1.00 0.00 C ATOM 519 O THR A 46 -12.664 3.860 -7.591 1.00 0.00 O ATOM 520 CB THR A 46 -14.792 3.361 -10.215 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.006 3.054 -11.375 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.852 4.869 -10.026 1.00 0.00 C ATOM 0 H THR A 46 -15.097 3.736 -7.418 1.00 0.00 H new ATOM 0 HA THR A 46 -14.126 1.595 -9.210 1.00 0.00 H new ATOM 0 HB THR A 46 -15.808 2.992 -10.355 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.386 3.506 -12.157 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.265 5.332 -10.922 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.486 5.104 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.848 5.254 -9.849 1.00 0.00 H new ATOM 530 N ASN A 47 -11.854 2.953 -9.484 1.00 0.00 N ATOM 531 CA ASN A 47 -10.479 3.400 -9.260 1.00 0.00 C ATOM 532 C ASN A 47 -10.406 4.914 -9.070 1.00 0.00 C ATOM 533 O ASN A 47 -9.761 5.402 -8.144 1.00 0.00 O ATOM 534 CB ASN A 47 -9.590 2.978 -10.432 1.00 0.00 C ATOM 535 CG ASN A 47 -8.140 2.784 -10.028 1.00 0.00 C ATOM 536 OD1 ASN A 47 -7.754 1.715 -9.562 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.323 3.810 -10.219 1.00 0.00 N ATOM 0 H ASN A 47 -11.988 2.435 -10.352 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.121 2.928 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.972 2.049 -10.856 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.646 3.733 -11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.336 3.728 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.682 4.682 -10.609 1.00 0.00 H new ATOM 544 N ASP A 48 -11.066 5.655 -9.955 1.00 0.00 N ATOM 545 CA ASP A 48 -11.074 7.118 -9.889 1.00 0.00 C ATOM 546 C ASP A 48 -11.725 7.640 -8.607 1.00 0.00 C ATOM 547 O ASP A 48 -11.337 8.687 -8.091 1.00 0.00 O ATOM 548 CB ASP A 48 -11.805 7.697 -11.102 1.00 0.00 C ATOM 549 CG ASP A 48 -11.593 9.192 -11.245 1.00 0.00 C ATOM 550 OD1 ASP A 48 -10.514 9.596 -11.728 1.00 0.00 O ATOM 551 OD2 ASP A 48 -12.501 9.967 -10.877 1.00 0.00 O ATOM 0 H ASP A 48 -11.605 5.268 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.033 7.442 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.458 7.195 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.872 7.491 -11.013 1.00 0.00 H new ATOM 556 N ASP A 49 -12.691 6.898 -8.081 1.00 0.00 N ATOM 557 CA ASP A 49 -13.401 7.314 -6.872 1.00 0.00 C ATOM 558 C ASP A 49 -12.487 7.286 -5.652 1.00 0.00 C ATOM 559 O ASP A 49 -12.663 8.069 -4.718 1.00 0.00 O ATOM 560 CB ASP A 49 -14.623 6.432 -6.626 1.00 0.00 C ATOM 561 CG ASP A 49 -15.596 7.064 -5.654 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.364 7.956 -6.070 1.00 0.00 O ATOM 563 OD2 ASP A 49 -15.611 6.666 -4.478 1.00 0.00 O ATOM 0 H ASP A 49 -13.002 6.007 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.733 8.340 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.129 6.242 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.300 5.466 -6.238 1.00 0.00 H new ATOM 568 N ILE A 50 -11.503 6.405 -5.670 1.00 0.00 N ATOM 569 CA ILE A 50 -10.531 6.303 -4.585 1.00 0.00 C ATOM 570 C ILE A 50 -9.751 7.587 -4.436 1.00 0.00 C ATOM 571 O ILE A 50 -9.251 7.920 -3.366 1.00 0.00 O ATOM 572 CB ILE A 50 -9.578 5.054 -4.780 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.281 3.668 -4.621 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.341 5.083 -3.829 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.454 2.441 -5.057 1.00 0.00 C ATOM 0 H ILE A 50 -11.351 5.742 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.079 6.144 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.256 5.153 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.560 3.541 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.206 3.683 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.724 4.202 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.755 5.982 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.679 5.085 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.039 1.534 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.197 2.532 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.541 2.388 -4.464 1.00 0.00 H new ATOM 587 N LYS A 51 -9.613 8.285 -5.554 1.00 0.00 N ATOM 588 CA LYS A 51 -8.870 9.535 -5.589 1.00 0.00 C ATOM 589 C LYS A 51 -9.797 10.709 -5.297 1.00 0.00 C ATOM 590 O LYS A 51 -9.346 11.843 -5.118 1.00 0.00 O ATOM 591 CB LYS A 51 -8.221 9.717 -6.962 1.00 0.00 C ATOM 592 CG LYS A 51 -7.698 8.422 -7.571 1.00 0.00 C ATOM 593 CD LYS A 51 -7.666 8.494 -9.089 1.00 0.00 C ATOM 594 CE LYS A 51 -6.540 9.384 -9.590 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.240 8.664 -9.634 1.00 0.00 N ATOM 0 H LYS A 51 -10.008 8.005 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.093 9.502 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.949 10.159 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.397 10.425 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.695 8.220 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.330 7.590 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.545 7.491 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.620 8.874 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.785 9.752 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.450 10.255 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.538 9.245 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.910 8.483 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.361 7.759 -10.133 1.00 0.00 H new ATOM 609 N ARG A 52 -11.095 10.430 -5.230 1.00 0.00 N ATOM 610 CA ARG A 52 -12.093 11.456 -4.973 1.00 0.00 C ATOM 611 C ARG A 52 -12.371 11.565 -3.478 1.00 0.00 C ATOM 612 O ARG A 52 -12.566 12.658 -2.952 1.00 0.00 O ATOM 613 CB ARG A 52 -13.390 11.119 -5.726 1.00 0.00 C ATOM 614 CG ARG A 52 -14.479 12.175 -5.592 1.00 0.00 C ATOM 615 CD ARG A 52 -15.757 11.757 -6.306 1.00 0.00 C ATOM 616 NE ARG A 52 -16.403 10.612 -5.663 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.381 10.709 -4.763 1.00 0.00 C ATOM 618 NH1 ARG A 52 -17.848 11.901 -4.402 1.00 0.00 N ATOM 619 NH2 ARG A 52 -17.893 9.606 -4.232 1.00 0.00 N ATOM 0 H ARG A 52 -11.480 9.493 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.711 12.414 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.159 10.983 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.774 10.168 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.691 12.348 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.123 13.119 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.450 12.598 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.527 11.507 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.084 9.678 -5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.457 12.748 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.597 11.968 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.538 8.692 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.642 9.672 -3.542 1.00 0.00 H new ATOM 633 N ILE A 53 -12.392 10.421 -2.803 1.00 0.00 N ATOM 634 CA ILE A 53 -12.653 10.370 -1.364 1.00 0.00 C ATOM 635 C ILE A 53 -11.467 10.859 -0.521 1.00 0.00 C ATOM 636 O ILE A 53 -11.341 10.501 0.652 1.00 0.00 O ATOM 637 CB ILE A 53 -13.040 8.942 -0.922 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.994 7.926 -1.388 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.415 8.582 -1.465 1.00 0.00 C ATOM 640 CD1 ILE A 53 -12.346 6.492 -1.056 1.00 0.00 C ATOM 0 H ILE A 53 -12.231 9.509 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.486 11.050 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.075 8.914 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.866 8.019 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.035 8.170 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.679 7.573 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.153 9.287 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.400 8.628 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.558 5.831 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.445 6.382 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.289 6.228 -1.535 1.00 0.00 H new ATOM 652 N GLY A 54 -10.601 11.671 -1.111 1.00 0.00 N ATOM 653 CA GLY A 54 -9.468 12.201 -0.381 1.00 0.00 C ATOM 654 C GLY A 54 -8.147 11.800 -0.998 1.00 0.00 C ATOM 655 O GLY A 54 -7.603 12.541 -1.816 1.00 0.00 O ATOM 0 H GLY A 54 -10.663 11.972 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.536 13.288 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.506 11.849 0.650 1.00 0.00 H new ATOM 659 N VAL A 55 -7.646 10.641 -0.551 1.00 0.00 N ATOM 660 CA VAL A 55 -6.382 10.019 -0.998 1.00 0.00 C ATOM 661 C VAL A 55 -5.761 10.652 -2.247 1.00 0.00 C ATOM 662 O VAL A 55 -6.065 10.255 -3.372 1.00 0.00 O ATOM 663 CB VAL A 55 -6.592 8.516 -1.282 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.261 7.786 -1.302 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.533 7.891 -0.261 1.00 0.00 C ATOM 0 H VAL A 55 -8.124 10.086 0.159 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.689 10.184 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.053 8.420 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.429 6.728 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.627 8.208 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.770 7.898 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.662 6.832 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.111 8.001 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.500 8.392 -0.303 1.00 0.00 H new ATOM 675 N ARG A 56 -4.876 11.625 -2.046 1.00 0.00 N ATOM 676 CA ARG A 56 -4.218 12.282 -3.170 1.00 0.00 C ATOM 677 C ARG A 56 -2.890 11.609 -3.519 1.00 0.00 C ATOM 678 O ARG A 56 -2.359 11.812 -4.607 1.00 0.00 O ATOM 679 CB ARG A 56 -4.004 13.779 -2.888 1.00 0.00 C ATOM 680 CG ARG A 56 -3.228 14.095 -1.609 1.00 0.00 C ATOM 681 CD ARG A 56 -1.714 14.033 -1.807 1.00 0.00 C ATOM 682 NE ARG A 56 -1.275 14.710 -3.029 1.00 0.00 N ATOM 683 CZ ARG A 56 0.002 14.958 -3.331 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.970 14.638 -2.478 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.311 15.538 -4.482 1.00 0.00 N ATOM 0 H ARG A 56 -4.601 11.972 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.879 12.184 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.475 14.220 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.978 14.265 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.504 15.089 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.518 13.390 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.221 14.487 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.399 12.990 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.990 15.011 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.740 14.200 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.943 14.830 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.427 15.795 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.287 15.727 -4.712 1.00 0.00 H new ATOM 699 N LEU A 57 -2.359 10.807 -2.599 1.00 0.00 N ATOM 700 CA LEU A 57 -1.089 10.127 -2.838 1.00 0.00 C ATOM 701 C LEU A 57 -1.293 8.932 -3.768 1.00 0.00 C ATOM 702 O LEU A 57 -2.095 8.042 -3.480 1.00 0.00 O ATOM 703 CB LEU A 57 -0.435 9.694 -1.515 1.00 0.00 C ATOM 704 CG LEU A 57 0.284 10.814 -0.743 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.967 10.273 0.508 1.00 0.00 C ATOM 706 CD2 LEU A 57 1.303 11.505 -1.634 1.00 0.00 C ATOM 0 H LEU A 57 -2.783 10.614 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.411 10.828 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.203 9.266 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.283 8.901 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.468 11.540 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.466 11.088 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.222 9.823 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.702 9.520 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.802 12.294 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.042 10.779 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.797 11.938 -2.497 1.00 0.00 H new ATOM 718 N PRO A 58 -0.559 8.904 -4.895 1.00 0.00 N ATOM 719 CA PRO A 58 -0.670 7.843 -5.907 1.00 0.00 C ATOM 720 C PRO A 58 -0.415 6.444 -5.354 1.00 0.00 C ATOM 721 O PRO A 58 -1.119 5.497 -5.710 1.00 0.00 O ATOM 722 CB PRO A 58 0.396 8.211 -6.949 1.00 0.00 C ATOM 723 CG PRO A 58 1.306 9.164 -6.257 1.00 0.00 C ATOM 724 CD PRO A 58 0.453 9.906 -5.273 1.00 0.00 C ATOM 0 HA PRO A 58 -1.682 7.795 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.936 7.327 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.056 8.667 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.115 8.635 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.768 9.849 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.030 10.243 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.001 10.791 -5.718 1.00 0.00 H new ATOM 732 N GLY A 59 0.584 6.311 -4.492 1.00 0.00 N ATOM 733 CA GLY A 59 0.894 5.012 -3.924 1.00 0.00 C ATOM 734 C GLY A 59 -0.176 4.547 -2.964 1.00 0.00 C ATOM 735 O GLY A 59 -0.455 3.350 -2.864 1.00 0.00 O ATOM 0 H GLY A 59 1.183 7.074 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.004 4.282 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.851 5.062 -3.405 1.00 0.00 H new ATOM 739 N HIS A 60 -0.792 5.499 -2.267 1.00 0.00 N ATOM 740 CA HIS A 60 -1.857 5.180 -1.327 1.00 0.00 C ATOM 741 C HIS A 60 -3.058 4.667 -2.105 1.00 0.00 C ATOM 742 O HIS A 60 -3.797 3.798 -1.642 1.00 0.00 O ATOM 743 CB HIS A 60 -2.248 6.412 -0.503 1.00 0.00 C ATOM 744 CG HIS A 60 -1.383 6.654 0.697 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.779 6.404 1.994 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.131 7.162 0.784 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.779 6.767 2.806 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.242 7.234 2.121 1.00 0.00 N ATOM 0 H HIS A 60 -0.571 6.492 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.507 4.414 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.210 7.291 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.281 6.301 -0.175 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.675 6.012 2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.481 7.464 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.807 6.687 3.883 1.00 0.00 H new ATOM 756 N GLN A 61 -3.221 5.205 -3.306 1.00 0.00 N ATOM 757 CA GLN A 61 -4.312 4.805 -4.184 1.00 0.00 C ATOM 758 C GLN A 61 -4.051 3.385 -4.665 1.00 0.00 C ATOM 759 O GLN A 61 -4.850 2.483 -4.421 1.00 0.00 O ATOM 760 CB GLN A 61 -4.428 5.756 -5.384 1.00 0.00 C ATOM 761 CG GLN A 61 -5.030 7.113 -5.048 1.00 0.00 C ATOM 762 CD GLN A 61 -4.621 8.197 -6.034 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.276 7.918 -7.184 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.682 9.445 -5.602 1.00 0.00 N ATOM 0 H GLN A 61 -2.609 5.922 -3.696 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.252 4.849 -3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.437 5.906 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.038 5.281 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.117 7.031 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.720 7.405 -4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.972 9.639 -4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.439 10.214 -6.227 1.00 0.00 H new ATOM 773 N LYS A 62 -2.940 3.232 -5.391 1.00 0.00 N ATOM 774 CA LYS A 62 -2.483 1.935 -5.902 1.00 0.00 C ATOM 775 C LYS A 62 -2.753 0.798 -4.916 1.00 0.00 C ATOM 776 O LYS A 62 -3.328 -0.225 -5.287 1.00 0.00 O ATOM 777 CB LYS A 62 -0.980 1.995 -6.212 1.00 0.00 C ATOM 778 CG LYS A 62 -0.515 0.979 -7.249 1.00 0.00 C ATOM 779 CD LYS A 62 -0.330 -0.413 -6.654 1.00 0.00 C ATOM 780 CE LYS A 62 1.123 -0.698 -6.290 1.00 0.00 C ATOM 781 NZ LYS A 62 1.599 0.143 -5.159 1.00 0.00 N ATOM 0 H LYS A 62 -2.328 4.008 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.047 1.729 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.733 2.996 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.423 1.836 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.243 0.931 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.426 1.313 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.951 -0.511 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.677 -1.160 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.229 -1.750 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.754 -0.522 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.562 -0.145 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.604 1.142 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.964 0.021 -4.344 1.00 0.00 H new ATOM 795 N ARG A 63 -2.339 0.981 -3.666 1.00 0.00 N ATOM 796 CA ARG A 63 -2.533 -0.046 -2.649 1.00 0.00 C ATOM 797 C ARG A 63 -4.012 -0.379 -2.480 1.00 0.00 C ATOM 798 O ARG A 63 -4.397 -1.543 -2.569 1.00 0.00 O ATOM 799 CB ARG A 63 -1.941 0.382 -1.309 1.00 0.00 C ATOM 800 CG ARG A 63 -1.850 -0.765 -0.314 1.00 0.00 C ATOM 801 CD ARG A 63 -1.193 -0.337 0.985 1.00 0.00 C ATOM 802 NE ARG A 63 0.170 0.142 0.779 1.00 0.00 N ATOM 803 CZ ARG A 63 0.897 0.748 1.718 1.00 0.00 C ATOM 804 NH1 ARG A 63 0.421 0.908 2.948 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.113 1.182 1.433 1.00 0.00 N ATOM 0 H ARG A 63 -1.870 1.824 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.010 -0.940 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.946 0.796 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.552 1.178 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.850 -1.146 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.282 -1.584 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.787 0.450 1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.180 -1.178 1.679 1.00 0.00 H new ATOM 0 HE ARG A 63 0.592 0.005 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.511 0.565 3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.987 1.373 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.494 1.053 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.670 1.646 2.151 1.00 0.00 H new ATOM 819 N ILE A 64 -4.834 0.648 -2.258 1.00 0.00 N ATOM 820 CA ILE A 64 -6.272 0.455 -2.081 1.00 0.00 C ATOM 821 C ILE A 64 -6.869 -0.244 -3.304 1.00 0.00 C ATOM 822 O ILE A 64 -7.661 -1.174 -3.166 1.00 0.00 O ATOM 823 CB ILE A 64 -6.999 1.798 -1.834 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.506 2.433 -0.528 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.508 1.595 -1.788 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.018 3.839 -0.297 1.00 0.00 C ATOM 0 H ILE A 64 -4.528 1.619 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.415 -0.173 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.771 2.471 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.811 1.804 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.416 2.450 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.999 2.552 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.848 1.181 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.758 0.907 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.625 4.219 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.690 4.484 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.107 3.828 -0.258 1.00 0.00 H new ATOM 838 N ALA A 65 -6.476 0.200 -4.495 1.00 0.00 N ATOM 839 CA ALA A 65 -6.959 -0.402 -5.740 1.00 0.00 C ATOM 840 C ALA A 65 -6.603 -1.888 -5.793 1.00 0.00 C ATOM 841 O ALA A 65 -7.409 -2.726 -6.204 1.00 0.00 O ATOM 842 CB ALA A 65 -6.370 0.330 -6.938 1.00 0.00 C ATOM 0 H ALA A 65 -5.825 0.974 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.045 -0.310 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.735 -0.125 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.670 1.378 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.283 0.263 -6.907 1.00 0.00 H new ATOM 848 N TYR A 66 -5.389 -2.191 -5.362 1.00 0.00 N ATOM 849 CA TYR A 66 -4.887 -3.558 -5.320 1.00 0.00 C ATOM 850 C TYR A 66 -5.747 -4.394 -4.377 1.00 0.00 C ATOM 851 O TYR A 66 -6.145 -5.515 -4.697 1.00 0.00 O ATOM 852 CB TYR A 66 -3.412 -3.534 -4.877 1.00 0.00 C ATOM 853 CG TYR A 66 -2.869 -4.834 -4.317 1.00 0.00 C ATOM 854 CD1 TYR A 66 -2.742 -5.971 -5.112 1.00 0.00 C ATOM 855 CD2 TYR A 66 -2.453 -4.913 -2.991 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.219 -7.144 -4.598 1.00 0.00 C ATOM 857 CE2 TYR A 66 -1.933 -6.084 -2.472 1.00 0.00 C ATOM 858 CZ TYR A 66 -1.817 -7.195 -3.279 1.00 0.00 C ATOM 859 OH TYR A 66 -1.291 -8.362 -2.772 1.00 0.00 O ATOM 0 H TYR A 66 -4.721 -1.495 -5.030 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.943 -4.015 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.800 -3.245 -5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.292 -2.757 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.056 -5.936 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.538 -4.044 -2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.126 -8.017 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.619 -6.128 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.056 -8.233 -1.829 1.00 0.00 H new ATOM 869 N SER A 67 -6.045 -3.819 -3.223 1.00 0.00 N ATOM 870 CA SER A 67 -6.867 -4.477 -2.222 1.00 0.00 C ATOM 871 C SER A 67 -8.311 -4.649 -2.701 1.00 0.00 C ATOM 872 O SER A 67 -9.005 -5.581 -2.283 1.00 0.00 O ATOM 873 CB SER A 67 -6.816 -3.663 -0.937 1.00 0.00 C ATOM 874 OG SER A 67 -5.489 -3.249 -0.682 1.00 0.00 O ATOM 0 H SER A 67 -5.726 -2.888 -2.955 1.00 0.00 H new ATOM 0 HA SER A 67 -6.474 -5.478 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.468 -2.793 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.187 -4.260 -0.103 1.00 0.00 H new ATOM 0 HG SER A 67 -5.244 -2.534 -1.306 1.00 0.00 H new ATOM 880 N LEU A 68 -8.755 -3.757 -3.575 1.00 0.00 N ATOM 881 CA LEU A 68 -10.105 -3.809 -4.116 1.00 0.00 C ATOM 882 C LEU A 68 -10.275 -4.994 -5.050 1.00 0.00 C ATOM 883 O LEU A 68 -11.313 -5.656 -5.034 1.00 0.00 O ATOM 884 CB LEU A 68 -10.416 -2.518 -4.871 1.00 0.00 C ATOM 885 CG LEU A 68 -10.946 -1.373 -4.010 1.00 0.00 C ATOM 886 CD1 LEU A 68 -10.933 -0.070 -4.792 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.353 -1.692 -3.524 1.00 0.00 C ATOM 0 H LEU A 68 -8.193 -2.982 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.797 -3.923 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.509 -2.183 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.149 -2.737 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.296 -1.257 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.314 0.735 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.913 0.160 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.563 -0.170 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.721 -0.869 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.012 -1.829 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.335 -2.606 -2.931 1.00 0.00 H new ATOM 899 N LEU A 69 -9.252 -5.258 -5.858 1.00 0.00 N ATOM 900 CA LEU A 69 -9.285 -6.366 -6.810 1.00 0.00 C ATOM 901 C LEU A 69 -9.572 -7.685 -6.101 1.00 0.00 C ATOM 902 O LEU A 69 -10.283 -8.545 -6.624 1.00 0.00 O ATOM 903 CB LEU A 69 -7.959 -6.462 -7.566 1.00 0.00 C ATOM 904 CG LEU A 69 -7.554 -5.204 -8.341 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.137 -5.344 -8.873 1.00 0.00 C ATOM 906 CD2 LEU A 69 -8.527 -4.939 -9.482 1.00 0.00 C ATOM 0 H LEU A 69 -8.387 -4.718 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.087 -6.172 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.170 -6.699 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.018 -7.296 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.587 -4.354 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.863 -4.443 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.448 -5.485 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.082 -6.205 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.221 -4.041 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.527 -5.789 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.530 -4.797 -9.079 1.00 0.00 H new ATOM 918 N GLY A 70 -9.025 -7.828 -4.900 1.00 0.00 N ATOM 919 CA GLY A 70 -9.227 -9.037 -4.131 1.00 0.00 C ATOM 920 C GLY A 70 -10.664 -9.184 -3.676 1.00 0.00 C ATOM 921 O GLY A 70 -11.233 -10.269 -3.745 1.00 0.00 O ATOM 0 H GLY A 70 -8.443 -7.124 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.947 -9.901 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.570 -9.028 -3.261 1.00 0.00 H new ATOM 925 N LEU A 71 -11.252 -8.082 -3.223 1.00 0.00 N ATOM 926 CA LEU A 71 -12.636 -8.086 -2.755 1.00 0.00 C ATOM 927 C LEU A 71 -13.599 -8.512 -3.861 1.00 0.00 C ATOM 928 O LEU A 71 -14.524 -9.288 -3.621 1.00 0.00 O ATOM 929 CB LEU A 71 -13.033 -6.707 -2.218 1.00 0.00 C ATOM 930 CG LEU A 71 -12.502 -6.370 -0.823 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.058 -5.036 -0.353 1.00 0.00 C ATOM 932 CD2 LEU A 71 -12.852 -7.474 0.165 1.00 0.00 C ATOM 0 H LEU A 71 -10.792 -7.173 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.703 -8.813 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.680 -5.948 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.121 -6.642 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.416 -6.292 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.671 -4.810 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.756 -4.251 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.146 -5.088 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.466 -7.216 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.935 -7.586 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.406 -8.412 -0.165 1.00 0.00 H new ATOM 944 N LYS A 72 -13.375 -8.014 -5.072 1.00 0.00 N ATOM 945 CA LYS A 72 -14.232 -8.353 -6.205 1.00 0.00 C ATOM 946 C LYS A 72 -14.119 -9.841 -6.532 1.00 0.00 C ATOM 947 O LYS A 72 -15.113 -10.496 -6.849 1.00 0.00 O ATOM 948 CB LYS A 72 -13.865 -7.521 -7.438 1.00 0.00 C ATOM 949 CG LYS A 72 -13.567 -6.060 -7.134 1.00 0.00 C ATOM 950 CD LYS A 72 -14.612 -5.128 -7.731 1.00 0.00 C ATOM 951 CE LYS A 72 -14.179 -3.671 -7.624 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.101 -2.761 -8.354 1.00 0.00 N ATOM 0 H LYS A 72 -12.611 -7.377 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.261 -8.126 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.993 -7.966 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.684 -7.572 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.527 -5.915 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.584 -5.801 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.776 -5.385 -8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.563 -5.266 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.139 -3.381 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.171 -3.562 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.630 -1.849 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.360 -3.188 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.960 -2.609 -7.787 1.00 0.00 H new ATOM 966 N ASP A 73 -12.903 -10.366 -6.453 1.00 0.00 N ATOM 967 CA ASP A 73 -12.653 -11.780 -6.730 1.00 0.00 C ATOM 968 C ASP A 73 -13.209 -12.670 -5.617 1.00 0.00 C ATOM 969 O ASP A 73 -13.819 -13.705 -5.887 1.00 0.00 O ATOM 970 CB ASP A 73 -11.151 -12.023 -6.905 1.00 0.00 C ATOM 971 CG ASP A 73 -10.814 -13.478 -7.174 1.00 0.00 C ATOM 972 OD1 ASP A 73 -11.102 -13.971 -8.285 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.228 -14.130 -6.288 1.00 0.00 O ATOM 0 H ASP A 73 -12.070 -9.834 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.167 -12.041 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.783 -11.412 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.628 -11.695 -6.007 1.00 0.00 H new ATOM 978 N GLN A 74 -13.023 -12.247 -4.367 1.00 0.00 N ATOM 979 CA GLN A 74 -13.503 -13.010 -3.213 1.00 0.00 C ATOM 980 C GLN A 74 -15.028 -13.074 -3.177 1.00 0.00 C ATOM 981 O GLN A 74 -15.605 -14.043 -2.686 1.00 0.00 O ATOM 982 CB GLN A 74 -12.968 -12.409 -1.907 1.00 0.00 C ATOM 983 CG GLN A 74 -11.505 -12.738 -1.644 1.00 0.00 C ATOM 984 CD GLN A 74 -11.287 -14.177 -1.205 1.00 0.00 C ATOM 985 OE1 GLN A 74 -12.117 -15.052 -1.451 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.156 -14.435 -0.568 1.00 0.00 N ATOM 0 H GLN A 74 -12.543 -11.380 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.126 -14.028 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.089 -11.326 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.570 -12.774 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.928 -12.549 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.121 -12.068 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.492 -13.683 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.948 -15.386 -0.263 1.00 0.00 H new ATOM 995 N VAL A 75 -15.686 -12.046 -3.702 1.00 0.00 N ATOM 996 CA VAL A 75 -17.144 -12.030 -3.728 1.00 0.00 C ATOM 997 C VAL A 75 -17.647 -12.761 -4.974 1.00 0.00 C ATOM 998 O VAL A 75 -18.828 -13.090 -5.095 1.00 0.00 O ATOM 999 CB VAL A 75 -17.712 -10.590 -3.671 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -17.609 -9.894 -5.020 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.150 -10.598 -3.173 1.00 0.00 C ATOM 0 H VAL A 75 -15.241 -11.224 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.501 -12.547 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.106 -10.024 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.017 -8.886 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -16.563 -9.840 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.173 -10.457 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.530 -9.577 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.766 -11.193 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.186 -11.030 -2.173 1.00 0.00 H new ATOM 1011 N ASN A 76 -16.725 -13.031 -5.889 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.047 -13.734 -7.121 1.00 0.00 C ATOM 1013 C ASN A 76 -16.837 -15.227 -6.936 1.00 0.00 C ATOM 1014 O ASN A 76 -17.200 -16.032 -7.796 1.00 0.00 O ATOM 1015 CB ASN A 76 -16.187 -13.228 -8.278 1.00 0.00 C ATOM 1016 CG ASN A 76 -16.965 -12.339 -9.226 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -17.683 -12.824 -10.101 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -16.821 -11.034 -9.065 1.00 0.00 N ATOM 0 H ASN A 76 -15.743 -12.771 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.093 -13.543 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.336 -12.675 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.785 -14.079 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.315 -10.387 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.216 -10.675 -8.327 1.00 0.00 H new ATOM 1025 N THR A 77 -16.243 -15.583 -5.804 1.00 0.00 N ATOM 1026 CA THR A 77 -15.978 -16.970 -5.478 1.00 0.00 C ATOM 1027 C THR A 77 -17.262 -17.656 -5.024 1.00 0.00 C ATOM 1028 O THR A 77 -17.840 -17.295 -3.999 1.00 0.00 O ATOM 1029 CB THR A 77 -14.914 -17.079 -4.367 1.00 0.00 C ATOM 1030 OG1 THR A 77 -13.777 -16.269 -4.700 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.470 -18.522 -4.174 1.00 0.00 C ATOM 0 H THR A 77 -15.935 -14.920 -5.093 1.00 0.00 H new ATOM 0 HA THR A 77 -15.600 -17.463 -6.374 1.00 0.00 H new ATOM 0 HB THR A 77 -15.358 -16.726 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.078 -15.371 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.720 -18.569 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.329 -19.133 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.043 -18.899 -5.104 1.00 0.00 H new ATOM 1039 N VAL A 78 -17.711 -18.622 -5.808 1.00 0.00 N ATOM 1040 CA VAL A 78 -18.926 -19.356 -5.496 1.00 0.00 C ATOM 1041 C VAL A 78 -18.681 -20.352 -4.371 1.00 0.00 C ATOM 1042 O VAL A 78 -19.425 -20.309 -3.371 1.00 0.00 O ATOM 1043 CB VAL A 78 -19.488 -20.092 -6.731 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -20.303 -19.141 -7.591 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -18.371 -20.723 -7.551 1.00 0.00 C ATOM 1046 OXT VAL A 78 -17.727 -21.153 -4.477 1.00 0.00 O ATOM 0 H VAL A 78 -17.250 -18.917 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 78 -19.666 -18.624 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.140 -20.891 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.692 -19.676 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -21.133 -18.744 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.669 -18.320 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.797 -21.234 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.686 -19.946 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.829 -21.441 -6.936 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 9.559 6.402 11.665 1.00 0.00 N ATOM 1058 CA GLY B 28 9.873 6.000 10.272 1.00 0.00 C ATOM 1059 C GLY B 28 10.764 4.780 10.234 1.00 0.00 C ATOM 1060 O GLY B 28 10.771 3.988 11.176 1.00 0.00 O ATOM 0 HA2 GLY B 28 8.947 5.793 9.735 1.00 0.00 H new ATOM 0 HA3 GLY B 28 10.363 6.826 9.756 1.00 0.00 H new ATOM 1064 N MET B 29 11.530 4.628 9.163 1.00 0.00 N ATOM 1065 CA MET B 29 12.416 3.481 9.028 1.00 0.00 C ATOM 1066 C MET B 29 13.738 3.875 8.376 1.00 0.00 C ATOM 1067 O MET B 29 14.381 3.061 7.712 1.00 0.00 O ATOM 1068 CB MET B 29 11.731 2.372 8.225 1.00 0.00 C ATOM 1069 CG MET B 29 11.330 2.781 6.820 1.00 0.00 C ATOM 1070 SD MET B 29 10.493 1.456 5.937 1.00 0.00 S ATOM 1071 CE MET B 29 10.307 2.202 4.325 1.00 0.00 C ATOM 0 H MET B 29 11.556 5.280 8.379 1.00 0.00 H new ATOM 0 HA MET B 29 12.637 3.107 10.028 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.402 1.515 8.165 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.842 2.044 8.764 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.676 3.651 6.870 1.00 0.00 H new ATOM 0 HG3 MET B 29 12.218 3.081 6.264 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.638 1.593 3.717 1.00 0.00 H new ATOM 0 HE2 MET B 29 9.889 3.203 4.433 1.00 0.00 H new ATOM 0 HE3 MET B 29 11.281 2.266 3.839 1.00 0.00 H new ATOM 1081 N SER B 30 14.150 5.119 8.582 1.00 0.00 N ATOM 1082 CA SER B 30 15.401 5.611 8.028 1.00 0.00 C ATOM 1083 C SER B 30 16.565 4.765 8.543 1.00 0.00 C ATOM 1084 O SER B 30 17.402 4.292 7.773 1.00 0.00 O ATOM 1085 CB SER B 30 15.596 7.079 8.416 1.00 0.00 C ATOM 1086 OG SER B 30 14.343 7.732 8.560 1.00 0.00 O ATOM 0 H SER B 30 13.633 5.806 9.131 1.00 0.00 H new ATOM 0 HA SER B 30 15.369 5.536 6.941 1.00 0.00 H new ATOM 0 HB2 SER B 30 16.154 7.142 9.350 1.00 0.00 H new ATOM 0 HB3 SER B 30 16.190 7.585 7.655 1.00 0.00 H new ATOM 0 HG SER B 30 14.011 8.002 7.678 1.00 0.00 H new ATOM 1092 N ALA B 31 16.591 4.571 9.857 1.00 0.00 N ATOM 1093 CA ALA B 31 17.623 3.771 10.506 1.00 0.00 C ATOM 1094 C ALA B 31 17.568 2.316 10.042 1.00 0.00 C ATOM 1095 O ALA B 31 18.581 1.618 10.029 1.00 0.00 O ATOM 1096 CB ALA B 31 17.475 3.850 12.016 1.00 0.00 C ATOM 0 H ALA B 31 15.901 4.961 10.499 1.00 0.00 H new ATOM 0 HA ALA B 31 18.594 4.177 10.223 1.00 0.00 H new ATOM 0 HB1 ALA B 31 18.251 3.249 12.490 1.00 0.00 H new ATOM 0 HB2 ALA B 31 17.573 4.887 12.337 1.00 0.00 H new ATOM 0 HB3 ALA B 31 16.495 3.471 12.306 1.00 0.00 H new ATOM 1102 N TRP B 32 16.381 1.877 9.653 1.00 0.00 N ATOM 1103 CA TRP B 32 16.173 0.514 9.178 1.00 0.00 C ATOM 1104 C TRP B 32 16.778 0.355 7.784 1.00 0.00 C ATOM 1105 O TRP B 32 17.433 -0.643 7.482 1.00 0.00 O ATOM 1106 CB TRP B 32 14.671 0.213 9.149 1.00 0.00 C ATOM 1107 CG TRP B 32 14.321 -1.234 8.960 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.070 -2.151 9.941 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.162 -1.925 7.715 1.00 0.00 C ATOM 1110 NE1 TRP B 32 13.762 -3.367 9.382 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.817 -3.255 8.017 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.279 -1.547 6.374 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.586 -4.207 7.028 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 14.051 -2.493 5.393 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.708 -3.808 5.725 1.00 0.00 C ATOM 0 H TRP B 32 15.537 2.450 9.657 1.00 0.00 H new ATOM 0 HA TRP B 32 16.663 -0.190 9.850 1.00 0.00 H new ATOM 0 HB2 TRP B 32 14.227 0.560 10.082 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.215 0.790 8.345 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.108 -1.949 11.001 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.530 -4.215 9.899 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.543 -0.534 6.110 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.320 -5.223 7.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.139 -2.213 4.354 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.536 -4.524 4.935 1.00 0.00 H new ATOM 1126 N LEU B 33 16.581 1.371 6.954 1.00 0.00 N ATOM 1127 CA LEU B 33 17.096 1.359 5.590 1.00 0.00 C ATOM 1128 C LEU B 33 18.601 1.596 5.582 1.00 0.00 C ATOM 1129 O LEU B 33 19.287 1.252 4.619 1.00 0.00 O ATOM 1130 CB LEU B 33 16.385 2.404 4.733 1.00 0.00 C ATOM 1131 CG LEU B 33 14.993 2.000 4.245 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.287 3.189 3.622 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.083 0.854 3.247 1.00 0.00 C ATOM 0 H LEU B 33 16.067 2.216 7.202 1.00 0.00 H new ATOM 0 HA LEU B 33 16.900 0.376 5.162 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.299 3.326 5.308 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.007 2.626 3.866 1.00 0.00 H new ATOM 0 HG LEU B 33 14.414 1.661 5.104 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.298 2.886 3.279 1.00 0.00 H new ATOM 0 HD12 LEU B 33 14.187 3.982 4.363 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.868 3.554 2.775 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.081 0.583 2.913 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.680 1.164 2.389 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.552 -0.007 3.723 1.00 0.00 H new ATOM 1145 N ARG B 34 19.102 2.203 6.659 1.00 0.00 N ATOM 1146 CA ARG B 34 20.533 2.468 6.817 1.00 0.00 C ATOM 1147 C ARG B 34 21.343 1.173 6.744 1.00 0.00 C ATOM 1148 O ARG B 34 22.543 1.200 6.476 1.00 0.00 O ATOM 1149 CB ARG B 34 20.796 3.153 8.163 1.00 0.00 C ATOM 1150 CG ARG B 34 21.386 4.548 8.046 1.00 0.00 C ATOM 1151 CD ARG B 34 20.342 5.570 7.634 1.00 0.00 C ATOM 1152 NE ARG B 34 20.222 6.660 8.603 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.485 7.941 8.334 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.943 8.303 7.143 1.00 0.00 N ATOM 1155 NH2 ARG B 34 20.305 8.861 9.273 1.00 0.00 N ATOM 0 H ARG B 34 18.532 2.523 7.442 1.00 0.00 H new ATOM 0 HA ARG B 34 20.844 3.123 6.003 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.859 3.212 8.717 1.00 0.00 H new ATOM 0 HB3 ARG B 34 21.474 2.532 8.748 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.822 4.839 9.002 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.195 4.540 7.315 1.00 0.00 H new ATOM 0 HD2 ARG B 34 20.603 5.981 6.659 1.00 0.00 H new ATOM 0 HD3 ARG B 34 19.376 5.076 7.524 1.00 0.00 H new ATOM 0 HE ARG B 34 19.917 6.425 9.548 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.098 7.600 6.421 1.00 0.00 H new ATOM 0 HH12 ARG B 34 21.140 9.285 6.949 1.00 0.00 H new ATOM 0 HH21 ARG B 34 19.967 8.588 10.196 1.00 0.00 H new ATOM 0 HH22 ARG B 34 20.505 9.841 9.072 1.00 0.00 H new ATOM 1169 N ALA B 35 20.667 0.049 6.970 1.00 0.00 N ATOM 1170 CA ALA B 35 21.303 -1.266 6.934 1.00 0.00 C ATOM 1171 C ALA B 35 21.970 -1.518 5.581 1.00 0.00 C ATOM 1172 O ALA B 35 23.056 -2.088 5.506 1.00 0.00 O ATOM 1173 CB ALA B 35 20.284 -2.355 7.233 1.00 0.00 C ATOM 0 H ALA B 35 19.670 0.023 7.182 1.00 0.00 H new ATOM 0 HA ALA B 35 22.077 -1.288 7.701 1.00 0.00 H new ATOM 0 HB1 ALA B 35 20.773 -3.329 7.203 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.859 -2.193 8.223 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.489 -2.324 6.488 1.00 0.00 H new ATOM 1179 N ILE B 36 21.311 -1.079 4.517 1.00 0.00 N ATOM 1180 CA ILE B 36 21.839 -1.240 3.169 1.00 0.00 C ATOM 1181 C ILE B 36 22.036 0.123 2.520 1.00 0.00 C ATOM 1182 O ILE B 36 22.110 0.236 1.296 1.00 0.00 O ATOM 1183 CB ILE B 36 20.909 -2.092 2.281 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.467 -1.582 2.365 1.00 0.00 C ATOM 1185 CG2 ILE B 36 20.990 -3.556 2.683 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.591 -2.048 1.222 1.00 0.00 C ATOM 0 H ILE B 36 20.408 -0.608 4.562 1.00 0.00 H new ATOM 0 HA ILE B 36 22.794 -1.758 3.256 1.00 0.00 H new ATOM 0 HB ILE B 36 21.239 -2.002 1.246 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.028 -1.913 3.306 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.477 -0.492 2.383 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.328 -4.145 2.048 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.015 -3.909 2.566 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.685 -3.665 3.724 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.585 -1.648 1.348 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.006 -1.695 0.278 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.550 -3.137 1.215 1.00 0.00 H new ATOM 1198 N GLY B 37 22.151 1.144 3.369 1.00 0.00 N ATOM 1199 CA GLY B 37 22.330 2.511 2.907 1.00 0.00 C ATOM 1200 C GLY B 37 21.343 2.920 1.830 1.00 0.00 C ATOM 1201 O GLY B 37 21.730 3.520 0.825 1.00 0.00 O ATOM 0 H GLY B 37 22.123 1.044 4.384 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.232 3.189 3.755 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.343 2.626 2.523 1.00 0.00 H new ATOM 1205 N LEU B 38 20.071 2.607 2.034 1.00 0.00 N ATOM 1206 CA LEU B 38 19.047 2.937 1.054 1.00 0.00 C ATOM 1207 C LEU B 38 18.006 3.887 1.640 1.00 0.00 C ATOM 1208 O LEU B 38 16.912 4.036 1.095 1.00 0.00 O ATOM 1209 CB LEU B 38 18.374 1.659 0.546 1.00 0.00 C ATOM 1210 CG LEU B 38 17.845 1.723 -0.888 1.00 0.00 C ATOM 1211 CD1 LEU B 38 18.993 1.832 -1.881 1.00 0.00 C ATOM 1212 CD2 LEU B 38 16.988 0.504 -1.195 1.00 0.00 C ATOM 0 H LEU B 38 19.725 2.127 2.865 1.00 0.00 H new ATOM 0 HA LEU B 38 19.529 3.443 0.218 1.00 0.00 H new ATOM 0 HB2 LEU B 38 19.089 0.839 0.615 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.545 1.416 1.211 1.00 0.00 H new ATOM 0 HG LEU B 38 17.225 2.614 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU B 38 18.594 1.876 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU B 38 19.566 2.736 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU B 38 19.642 0.962 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.620 0.566 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.586 -0.400 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.143 0.471 -0.507 1.00 0.00 H new ATOM 1224 N GLU B 39 18.351 4.518 2.759 1.00 0.00 N ATOM 1225 CA GLU B 39 17.460 5.469 3.434 1.00 0.00 C ATOM 1226 C GLU B 39 16.912 6.539 2.488 1.00 0.00 C ATOM 1227 O GLU B 39 15.816 7.053 2.700 1.00 0.00 O ATOM 1228 CB GLU B 39 18.185 6.149 4.598 1.00 0.00 C ATOM 1229 CG GLU B 39 19.397 6.959 4.170 1.00 0.00 C ATOM 1230 CD GLU B 39 20.697 6.235 4.430 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.826 5.066 4.023 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.591 6.831 5.063 1.00 0.00 O ATOM 0 H GLU B 39 19.249 4.389 3.224 1.00 0.00 H new ATOM 0 HA GLU B 39 16.615 4.889 3.806 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.486 6.804 5.118 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.500 5.389 5.312 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.319 7.189 3.107 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.401 7.910 4.703 1.00 0.00 H new ATOM 1239 N ARG B 40 17.664 6.857 1.440 1.00 0.00 N ATOM 1240 CA ARG B 40 17.251 7.873 0.475 1.00 0.00 C ATOM 1241 C ARG B 40 15.950 7.487 -0.232 1.00 0.00 C ATOM 1242 O ARG B 40 15.261 8.340 -0.793 1.00 0.00 O ATOM 1243 CB ARG B 40 18.350 8.099 -0.566 1.00 0.00 C ATOM 1244 CG ARG B 40 19.719 8.385 0.032 1.00 0.00 C ATOM 1245 CD ARG B 40 20.760 8.632 -1.051 1.00 0.00 C ATOM 1246 NE ARG B 40 20.731 7.601 -2.090 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.642 6.635 -2.214 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.656 6.553 -1.361 1.00 0.00 N ATOM 1249 NH2 ARG B 40 21.532 5.747 -3.192 1.00 0.00 N ATOM 0 H ARG B 40 18.565 6.425 1.236 1.00 0.00 H new ATOM 0 HA ARG B 40 17.078 8.795 1.030 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.420 7.217 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.063 8.933 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.657 9.256 0.684 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.030 7.544 0.652 1.00 0.00 H new ATOM 0 HD2 ARG B 40 20.586 9.608 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.752 8.663 -0.599 1.00 0.00 H new ATOM 0 HE ARG B 40 19.964 7.623 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.742 7.232 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.349 5.811 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG B 40 20.752 5.804 -3.847 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.227 5.007 -3.290 1.00 0.00 H new ATOM 1263 N TYR B 41 15.608 6.204 -0.195 1.00 0.00 N ATOM 1264 CA TYR B 41 14.397 5.722 -0.847 1.00 0.00 C ATOM 1265 C TYR B 41 13.160 5.923 0.022 1.00 0.00 C ATOM 1266 O TYR B 41 12.046 5.983 -0.497 1.00 0.00 O ATOM 1267 CB TYR B 41 14.542 4.247 -1.213 1.00 0.00 C ATOM 1268 CG TYR B 41 14.770 4.017 -2.687 1.00 0.00 C ATOM 1269 CD1 TYR B 41 13.699 3.912 -3.564 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.054 3.905 -3.204 1.00 0.00 C ATOM 1271 CE1 TYR B 41 13.900 3.700 -4.912 1.00 0.00 C ATOM 1272 CE2 TYR B 41 16.262 3.693 -4.553 1.00 0.00 C ATOM 1273 CZ TYR B 41 15.182 3.590 -5.402 1.00 0.00 C ATOM 1274 OH TYR B 41 15.385 3.371 -6.748 1.00 0.00 O ATOM 0 H TYR B 41 16.151 5.481 0.278 1.00 0.00 H new ATOM 0 HA TYR B 41 14.263 6.310 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.374 3.821 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.643 3.713 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR B 41 12.692 3.998 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR B 41 16.903 3.985 -2.541 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.055 3.621 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR B 41 17.267 3.608 -4.940 1.00 0.00 H new ATOM 0 HH TYR B 41 16.161 2.785 -6.871 1.00 0.00 H new ATOM 1284 N GLU B 42 13.355 6.010 1.339 1.00 0.00 N ATOM 1285 CA GLU B 42 12.247 6.215 2.281 1.00 0.00 C ATOM 1286 C GLU B 42 11.380 7.400 1.866 1.00 0.00 C ATOM 1287 O GLU B 42 10.158 7.374 2.020 1.00 0.00 O ATOM 1288 CB GLU B 42 12.783 6.451 3.693 1.00 0.00 C ATOM 1289 CG GLU B 42 11.708 6.409 4.767 1.00 0.00 C ATOM 1290 CD GLU B 42 12.230 6.796 6.134 1.00 0.00 C ATOM 1291 OE1 GLU B 42 13.229 7.540 6.205 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.632 6.367 7.146 1.00 0.00 O ATOM 0 H GLU B 42 14.272 5.942 1.781 1.00 0.00 H new ATOM 0 HA GLU B 42 11.635 5.313 2.269 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.538 5.697 3.917 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.281 7.420 3.726 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.897 7.082 4.489 1.00 0.00 H new ATOM 0 HG3 GLU B 42 11.287 5.405 4.815 1.00 0.00 H new ATOM 1299 N GLU B 43 12.032 8.411 1.309 1.00 0.00 N ATOM 1300 CA GLU B 43 11.356 9.619 0.861 1.00 0.00 C ATOM 1301 C GLU B 43 10.252 9.272 -0.136 1.00 0.00 C ATOM 1302 O GLU B 43 9.105 9.694 0.012 1.00 0.00 O ATOM 1303 CB GLU B 43 12.360 10.574 0.219 1.00 0.00 C ATOM 1304 CG GLU B 43 12.027 12.040 0.431 1.00 0.00 C ATOM 1305 CD GLU B 43 12.374 12.515 1.827 1.00 0.00 C ATOM 1306 OE1 GLU B 43 13.559 12.831 2.071 1.00 0.00 O ATOM 1307 OE2 GLU B 43 11.470 12.578 2.681 1.00 0.00 O ATOM 0 H GLU B 43 13.040 8.417 1.156 1.00 0.00 H new ATOM 0 HA GLU B 43 10.905 10.107 1.725 1.00 0.00 H new ATOM 0 HB2 GLU B 43 13.351 10.373 0.626 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.408 10.372 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU B 43 12.568 12.642 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU B 43 10.964 12.198 0.250 1.00 0.00 H new ATOM 1314 N GLY B 44 10.608 8.481 -1.146 1.00 0.00 N ATOM 1315 CA GLY B 44 9.653 8.083 -2.158 1.00 0.00 C ATOM 1316 C GLY B 44 8.667 7.043 -1.656 1.00 0.00 C ATOM 1317 O GLY B 44 7.535 6.975 -2.138 1.00 0.00 O ATOM 0 H GLY B 44 11.548 8.108 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.106 8.961 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.188 7.684 -3.020 1.00 0.00 H new ATOM 1321 N LEU B 45 9.088 6.238 -0.687 1.00 0.00 N ATOM 1322 CA LEU B 45 8.226 5.203 -0.132 1.00 0.00 C ATOM 1323 C LEU B 45 7.058 5.832 0.630 1.00 0.00 C ATOM 1324 O LEU B 45 5.906 5.467 0.405 1.00 0.00 O ATOM 1325 CB LEU B 45 9.032 4.259 0.767 1.00 0.00 C ATOM 1326 CG LEU B 45 10.118 3.452 0.039 1.00 0.00 C ATOM 1327 CD1 LEU B 45 10.953 2.652 1.023 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.497 2.527 -0.995 1.00 0.00 C ATOM 0 H LEU B 45 10.018 6.282 -0.271 1.00 0.00 H new ATOM 0 HA LEU B 45 7.814 4.614 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.502 4.845 1.557 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.345 3.565 1.250 1.00 0.00 H new ATOM 0 HG LEU B 45 10.772 4.158 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.714 2.090 0.482 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.435 3.330 1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 45 10.310 1.960 1.568 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.283 1.965 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU B 45 8.815 1.835 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.947 3.117 -1.727 1.00 0.00 H new ATOM 1340 N VAL B 46 7.370 6.719 1.575 1.00 0.00 N ATOM 1341 CA VAL B 46 6.341 7.444 2.343 1.00 0.00 C ATOM 1342 C VAL B 46 5.228 8.006 1.444 1.00 0.00 C ATOM 1343 O VAL B 46 4.049 7.974 1.807 1.00 0.00 O ATOM 1344 CB VAL B 46 6.955 8.608 3.158 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.873 9.385 3.898 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.996 8.089 4.138 1.00 0.00 C ATOM 0 H VAL B 46 8.328 6.958 1.832 1.00 0.00 H new ATOM 0 HA VAL B 46 5.907 6.710 3.022 1.00 0.00 H new ATOM 0 HB VAL B 46 7.445 9.285 2.458 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.330 10.197 4.463 1.00 0.00 H new ATOM 0 HG12 VAL B 46 5.165 9.797 3.179 1.00 0.00 H new ATOM 0 HG13 VAL B 46 5.349 8.717 4.582 1.00 0.00 H new ATOM 0 HG21 VAL B 46 8.415 8.924 4.700 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.528 7.386 4.827 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.792 7.585 3.590 1.00 0.00 H new ATOM 1356 N HIS B 47 5.594 8.496 0.263 1.00 0.00 N ATOM 1357 CA HIS B 47 4.614 9.057 -0.668 1.00 0.00 C ATOM 1358 C HIS B 47 3.629 7.994 -1.151 1.00 0.00 C ATOM 1359 O HIS B 47 2.564 8.310 -1.682 1.00 0.00 O ATOM 1360 CB HIS B 47 5.310 9.697 -1.868 1.00 0.00 C ATOM 1361 CG HIS B 47 5.126 11.182 -1.939 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.472 11.825 -2.965 1.00 0.00 N ATOM 1363 CD2 HIS B 47 5.516 12.155 -1.078 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.482 13.136 -2.703 1.00 0.00 C ATOM 1365 NE2 HIS B 47 5.104 13.391 -1.569 1.00 0.00 N ATOM 0 H HIS B 47 6.557 8.517 -0.073 1.00 0.00 H new ATOM 0 HA HIS B 47 4.057 9.823 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.376 9.472 -1.823 1.00 0.00 H new ATOM 0 HB3 HIS B 47 4.927 9.247 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS B 47 6.059 11.996 -0.158 1.00 0.00 H new ATOM 0 HE1 HIS B 47 4.038 13.888 -3.338 1.00 0.00 H new ATOM 0 HE2 HIS B 47 5.253 14.304 -1.140 1.00 0.00 H new ATOM 1373 N ASN B 48 3.991 6.734 -0.972 1.00 0.00 N ATOM 1374 CA ASN B 48 3.134 5.633 -1.378 1.00 0.00 C ATOM 1375 C ASN B 48 2.592 4.907 -0.153 1.00 0.00 C ATOM 1376 O ASN B 48 1.990 3.837 -0.265 1.00 0.00 O ATOM 1377 CB ASN B 48 3.888 4.647 -2.279 1.00 0.00 C ATOM 1378 CG ASN B 48 4.109 5.173 -3.688 1.00 0.00 C ATOM 1379 OD1 ASN B 48 4.246 6.377 -3.909 1.00 0.00 O ATOM 1380 ND2 ASN B 48 4.130 4.271 -4.656 1.00 0.00 N ATOM 0 H ASN B 48 4.874 6.448 -0.548 1.00 0.00 H new ATOM 0 HA ASN B 48 2.302 6.048 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.853 4.418 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.330 3.712 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN B 48 4.263 4.564 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN B 48 4.013 3.282 -4.434 1.00 0.00 H new ATOM 1387 N GLY B 49 2.814 5.496 1.017 1.00 0.00 N ATOM 1388 CA GLY B 49 2.344 4.908 2.256 1.00 0.00 C ATOM 1389 C GLY B 49 3.163 3.712 2.683 1.00 0.00 C ATOM 1390 O GLY B 49 2.709 2.887 3.475 1.00 0.00 O ATOM 0 H GLY B 49 3.315 6.377 1.129 1.00 0.00 H new ATOM 0 HA2 GLY B 49 2.371 5.661 3.044 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.303 4.607 2.138 1.00 0.00 H new ATOM 1394 N TRP B 50 4.367 3.594 2.146 1.00 0.00 N ATOM 1395 CA TRP B 50 5.240 2.481 2.490 1.00 0.00 C ATOM 1396 C TRP B 50 6.145 2.865 3.648 1.00 0.00 C ATOM 1397 O TRP B 50 7.319 2.515 3.679 1.00 0.00 O ATOM 1398 CB TRP B 50 6.066 2.043 1.280 1.00 0.00 C ATOM 1399 CG TRP B 50 5.356 1.049 0.412 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.072 1.173 -0.917 1.00 0.00 C ATOM 1401 CD2 TRP B 50 4.831 -0.221 0.818 1.00 0.00 C ATOM 1402 NE1 TRP B 50 4.405 0.056 -1.359 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.247 -0.812 -0.315 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.800 -0.919 2.029 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 3.639 -2.064 -0.275 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.197 -2.161 2.068 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.624 -2.722 0.922 1.00 0.00 C ATOM 0 H TRP B 50 4.761 4.251 1.473 1.00 0.00 H new ATOM 0 HA TRP B 50 4.621 1.638 2.796 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.320 2.920 0.685 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.004 1.609 1.626 1.00 0.00 H new ATOM 0 HD1 TRP B 50 5.333 2.023 -1.530 1.00 0.00 H new ATOM 0 HE1 TRP B 50 4.080 -0.100 -2.313 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.240 -0.494 2.919 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 3.195 -2.499 -1.158 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.167 -2.708 2.999 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.160 -3.695 0.985 1.00 0.00 H new ATOM 1418 N ASP B 51 5.575 3.582 4.601 1.00 0.00 N ATOM 1419 CA ASP B 51 6.308 4.029 5.777 1.00 0.00 C ATOM 1420 C ASP B 51 6.036 3.102 6.954 1.00 0.00 C ATOM 1421 O ASP B 51 6.466 3.357 8.081 1.00 0.00 O ATOM 1422 CB ASP B 51 5.922 5.470 6.131 1.00 0.00 C ATOM 1423 CG ASP B 51 4.448 5.630 6.456 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.606 5.323 5.588 1.00 0.00 O ATOM 1425 OD2 ASP B 51 4.129 6.092 7.574 1.00 0.00 O ATOM 0 H ASP B 51 4.597 3.870 4.584 1.00 0.00 H new ATOM 0 HA ASP B 51 7.374 4.002 5.553 1.00 0.00 H new ATOM 0 HB2 ASP B 51 6.514 5.799 6.985 1.00 0.00 H new ATOM 0 HB3 ASP B 51 6.177 6.123 5.296 1.00 0.00 H new ATOM 1430 N ASP B 52 5.324 2.020 6.676 1.00 0.00 N ATOM 1431 CA ASP B 52 4.990 1.034 7.691 1.00 0.00 C ATOM 1432 C ASP B 52 5.782 -0.245 7.461 1.00 0.00 C ATOM 1433 O ASP B 52 5.659 -0.879 6.412 1.00 0.00 O ATOM 1434 CB ASP B 52 3.493 0.730 7.670 1.00 0.00 C ATOM 1435 CG ASP B 52 3.120 -0.357 8.653 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.136 -0.095 9.874 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.801 -1.479 8.215 1.00 0.00 O ATOM 0 H ASP B 52 4.964 1.802 5.747 1.00 0.00 H new ATOM 0 HA ASP B 52 5.250 1.443 8.667 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.936 1.637 7.904 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.199 0.426 6.665 1.00 0.00 H new ATOM 1442 N LEU B 53 6.579 -0.625 8.449 1.00 0.00 N ATOM 1443 CA LEU B 53 7.415 -1.816 8.352 1.00 0.00 C ATOM 1444 C LEU B 53 6.591 -3.098 8.442 1.00 0.00 C ATOM 1445 O LEU B 53 6.984 -4.133 7.900 1.00 0.00 O ATOM 1446 CB LEU B 53 8.484 -1.798 9.447 1.00 0.00 C ATOM 1447 CG LEU B 53 9.614 -0.789 9.228 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.401 -0.574 10.511 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.536 -1.259 8.115 1.00 0.00 C ATOM 0 H LEU B 53 6.665 -0.123 9.333 1.00 0.00 H new ATOM 0 HA LEU B 53 7.897 -1.803 7.374 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.003 -1.581 10.401 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.917 -2.795 9.528 1.00 0.00 H new ATOM 0 HG LEU B 53 9.170 0.162 8.935 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.199 0.147 10.332 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.736 -0.194 11.286 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.833 -1.521 10.836 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.334 -0.531 7.972 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.968 -2.223 8.383 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.968 -1.361 7.190 1.00 0.00 H new ATOM 1461 N GLU B 54 5.446 -3.025 9.109 1.00 0.00 N ATOM 1462 CA GLU B 54 4.581 -4.190 9.271 1.00 0.00 C ATOM 1463 C GLU B 54 4.087 -4.708 7.923 1.00 0.00 C ATOM 1464 O GLU B 54 4.223 -5.894 7.622 1.00 0.00 O ATOM 1465 CB GLU B 54 3.401 -3.860 10.184 1.00 0.00 C ATOM 1466 CG GLU B 54 3.756 -3.875 11.661 1.00 0.00 C ATOM 1467 CD GLU B 54 3.094 -2.752 12.429 1.00 0.00 C ATOM 1468 OE1 GLU B 54 1.847 -2.715 12.479 1.00 0.00 O ATOM 1469 OE2 GLU B 54 3.817 -1.895 12.979 1.00 0.00 O ATOM 0 H GLU B 54 5.094 -2.173 9.546 1.00 0.00 H new ATOM 0 HA GLU B 54 5.171 -4.980 9.736 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.013 -2.876 9.922 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.600 -4.577 10.003 1.00 0.00 H new ATOM 0 HG2 GLU B 54 3.458 -4.831 12.093 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.838 -3.798 11.772 1.00 0.00 H new ATOM 1476 N PHE B 55 3.519 -3.825 7.109 1.00 0.00 N ATOM 1477 CA PHE B 55 3.028 -4.226 5.794 1.00 0.00 C ATOM 1478 C PHE B 55 4.191 -4.355 4.811 1.00 0.00 C ATOM 1479 O PHE B 55 4.115 -5.111 3.844 1.00 0.00 O ATOM 1480 CB PHE B 55 1.981 -3.236 5.268 1.00 0.00 C ATOM 1481 CG PHE B 55 1.135 -3.792 4.147 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.535 -5.038 4.265 1.00 0.00 C ATOM 1483 CD2 PHE B 55 0.948 -3.074 2.977 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.235 -5.554 3.238 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.180 -3.586 1.946 1.00 0.00 C ATOM 1486 CZ PHE B 55 -0.412 -4.827 2.076 1.00 0.00 C ATOM 0 H PHE B 55 3.388 -2.838 7.332 1.00 0.00 H new ATOM 0 HA PHE B 55 2.545 -5.198 5.893 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.330 -2.937 6.090 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.487 -2.336 4.919 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.671 -5.612 5.170 1.00 0.00 H new ATOM 0 HD2 PHE B 55 1.407 -2.103 2.868 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.697 -6.524 3.344 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.044 -3.015 1.039 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.011 -5.228 1.272 1.00 0.00 H new ATOM 1496 N LEU B 56 5.278 -3.628 5.077 1.00 0.00 N ATOM 1497 CA LEU B 56 6.461 -3.677 4.217 1.00 0.00 C ATOM 1498 C LEU B 56 7.101 -5.060 4.276 1.00 0.00 C ATOM 1499 O LEU B 56 7.843 -5.453 3.381 1.00 0.00 O ATOM 1500 CB LEU B 56 7.486 -2.617 4.633 1.00 0.00 C ATOM 1501 CG LEU B 56 8.661 -2.431 3.666 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.287 -1.482 2.538 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.888 -1.921 4.407 1.00 0.00 C ATOM 0 H LEU B 56 5.363 -3.001 5.877 1.00 0.00 H new ATOM 0 HA LEU B 56 6.142 -3.470 3.195 1.00 0.00 H new ATOM 0 HB2 LEU B 56 6.973 -1.662 4.744 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.882 -2.882 5.614 1.00 0.00 H new ATOM 0 HG LEU B 56 8.899 -3.401 3.230 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.136 -1.365 1.864 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.439 -1.889 1.986 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.017 -0.511 2.954 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.711 -1.795 3.704 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.659 -0.963 4.873 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.174 -2.639 5.176 1.00 0.00 H new ATOM 1515 N SER B 57 6.792 -5.800 5.334 1.00 0.00 N ATOM 1516 CA SER B 57 7.326 -7.144 5.515 1.00 0.00 C ATOM 1517 C SER B 57 6.785 -8.100 4.450 1.00 0.00 C ATOM 1518 O SER B 57 7.318 -9.195 4.260 1.00 0.00 O ATOM 1519 CB SER B 57 6.977 -7.664 6.911 1.00 0.00 C ATOM 1520 OG SER B 57 7.498 -6.816 7.923 1.00 0.00 O ATOM 0 H SER B 57 6.172 -5.490 6.082 1.00 0.00 H new ATOM 0 HA SER B 57 8.410 -7.095 5.410 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.894 -7.735 7.015 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.376 -8.671 7.036 1.00 0.00 H new ATOM 0 HG SER B 57 7.138 -5.912 7.809 1.00 0.00 H new ATOM 1526 N ASP B 58 5.731 -7.681 3.753 1.00 0.00 N ATOM 1527 CA ASP B 58 5.126 -8.504 2.713 1.00 0.00 C ATOM 1528 C ASP B 58 4.979 -7.707 1.419 1.00 0.00 C ATOM 1529 O ASP B 58 3.988 -7.831 0.700 1.00 0.00 O ATOM 1530 CB ASP B 58 3.761 -9.027 3.175 1.00 0.00 C ATOM 1531 CG ASP B 58 3.295 -10.224 2.368 1.00 0.00 C ATOM 1532 OD1 ASP B 58 4.078 -11.186 2.210 1.00 0.00 O ATOM 1533 OD2 ASP B 58 2.140 -10.217 1.900 1.00 0.00 O ATOM 0 H ASP B 58 5.280 -6.777 3.891 1.00 0.00 H new ATOM 0 HA ASP B 58 5.779 -9.356 2.522 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.818 -9.303 4.228 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.023 -8.229 3.094 1.00 0.00 H new ATOM 1538 N ILE B 59 5.973 -6.878 1.127 1.00 0.00 N ATOM 1539 CA ILE B 59 5.953 -6.070 -0.083 1.00 0.00 C ATOM 1540 C ILE B 59 6.487 -6.871 -1.269 1.00 0.00 C ATOM 1541 O ILE B 59 7.429 -7.654 -1.136 1.00 0.00 O ATOM 1542 CB ILE B 59 6.768 -4.761 0.079 1.00 0.00 C ATOM 1543 CG1 ILE B 59 6.591 -3.866 -1.151 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.245 -5.061 0.310 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.245 -2.508 -1.016 1.00 0.00 C ATOM 0 H ILE B 59 6.800 -6.748 1.710 1.00 0.00 H new ATOM 0 HA ILE B 59 4.915 -5.795 -0.269 1.00 0.00 H new ATOM 0 HB ILE B 59 6.389 -4.233 0.954 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.006 -4.374 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE B 59 5.526 -3.729 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE B 59 8.793 -4.125 0.420 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.358 -5.657 1.216 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.641 -5.616 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.077 -1.931 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE B 59 6.813 -1.979 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.316 -2.634 -0.859 1.00 0.00 H new ATOM 1557 N THR B 60 5.869 -6.687 -2.423 1.00 0.00 N ATOM 1558 CA THR B 60 6.275 -7.384 -3.626 1.00 0.00 C ATOM 1559 C THR B 60 7.234 -6.531 -4.451 1.00 0.00 C ATOM 1560 O THR B 60 7.343 -5.320 -4.235 1.00 0.00 O ATOM 1561 CB THR B 60 5.047 -7.742 -4.479 1.00 0.00 C ATOM 1562 OG1 THR B 60 4.095 -6.671 -4.427 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.400 -9.027 -3.983 1.00 0.00 C ATOM 0 H THR B 60 5.078 -6.055 -2.550 1.00 0.00 H new ATOM 0 HA THR B 60 6.786 -8.299 -3.326 1.00 0.00 H new ATOM 0 HB THR B 60 5.373 -7.894 -5.508 1.00 0.00 H new ATOM 0 HG1 THR B 60 3.314 -6.901 -4.973 1.00 0.00 H new ATOM 0 HG21 THR B 60 3.533 -9.260 -4.602 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.120 -9.844 -4.044 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.083 -8.899 -2.948 1.00 0.00 H new ATOM 1571 N GLU B 61 7.928 -7.159 -5.392 1.00 0.00 N ATOM 1572 CA GLU B 61 8.865 -6.449 -6.251 1.00 0.00 C ATOM 1573 C GLU B 61 8.127 -5.449 -7.124 1.00 0.00 C ATOM 1574 O GLU B 61 8.626 -4.356 -7.396 1.00 0.00 O ATOM 1575 CB GLU B 61 9.629 -7.422 -7.141 1.00 0.00 C ATOM 1576 CG GLU B 61 10.740 -8.166 -6.431 1.00 0.00 C ATOM 1577 CD GLU B 61 11.703 -8.788 -7.410 1.00 0.00 C ATOM 1578 OE1 GLU B 61 11.455 -9.931 -7.845 1.00 0.00 O ATOM 1579 OE2 GLU B 61 12.694 -8.125 -7.774 1.00 0.00 O ATOM 0 H GLU B 61 7.859 -8.159 -5.579 1.00 0.00 H new ATOM 0 HA GLU B 61 9.572 -5.922 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.928 -8.146 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU B 61 10.053 -6.873 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.278 -7.480 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU B 61 10.312 -8.943 -5.797 1.00 0.00 H new ATOM 1586 N GLU B 62 6.936 -5.843 -7.562 1.00 0.00 N ATOM 1587 CA GLU B 62 6.112 -4.994 -8.407 1.00 0.00 C ATOM 1588 C GLU B 62 5.767 -3.700 -7.683 1.00 0.00 C ATOM 1589 O GLU B 62 5.925 -2.611 -8.236 1.00 0.00 O ATOM 1590 CB GLU B 62 4.832 -5.724 -8.818 1.00 0.00 C ATOM 1591 CG GLU B 62 5.082 -7.067 -9.485 1.00 0.00 C ATOM 1592 CD GLU B 62 3.911 -7.522 -10.330 1.00 0.00 C ATOM 1593 OE1 GLU B 62 2.840 -7.819 -9.765 1.00 0.00 O ATOM 1594 OE2 GLU B 62 4.060 -7.582 -11.569 1.00 0.00 O ATOM 0 H GLU B 62 6.521 -6.749 -7.343 1.00 0.00 H new ATOM 0 HA GLU B 62 6.679 -4.753 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU B 62 4.212 -5.877 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU B 62 4.265 -5.090 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU B 62 5.972 -6.998 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU B 62 5.287 -7.816 -8.720 1.00 0.00 H new ATOM 1601 N ASP B 63 5.282 -3.825 -6.450 1.00 0.00 N ATOM 1602 CA ASP B 63 4.930 -2.657 -5.653 1.00 0.00 C ATOM 1603 C ASP B 63 6.128 -1.732 -5.465 1.00 0.00 C ATOM 1604 O ASP B 63 5.984 -0.512 -5.542 1.00 0.00 O ATOM 1605 CB ASP B 63 4.355 -3.063 -4.296 1.00 0.00 C ATOM 1606 CG ASP B 63 3.230 -2.140 -3.866 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.490 -0.940 -3.633 1.00 0.00 O ATOM 1608 OD2 ASP B 63 2.072 -2.596 -3.794 1.00 0.00 O ATOM 0 H ASP B 63 5.125 -4.719 -5.985 1.00 0.00 H new ATOM 0 HA ASP B 63 4.161 -2.113 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP B 63 3.986 -4.087 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.146 -3.047 -3.546 1.00 0.00 H new ATOM 1613 N LEU B 64 7.311 -2.304 -5.215 1.00 0.00 N ATOM 1614 CA LEU B 64 8.526 -1.508 -5.048 1.00 0.00 C ATOM 1615 C LEU B 64 8.740 -0.590 -6.248 1.00 0.00 C ATOM 1616 O LEU B 64 8.883 0.620 -6.092 1.00 0.00 O ATOM 1617 CB LEU B 64 9.744 -2.423 -4.876 1.00 0.00 C ATOM 1618 CG LEU B 64 9.932 -3.018 -3.479 1.00 0.00 C ATOM 1619 CD1 LEU B 64 10.979 -4.120 -3.510 1.00 0.00 C ATOM 1620 CD2 LEU B 64 10.338 -1.935 -2.493 1.00 0.00 C ATOM 0 H LEU B 64 7.450 -3.310 -5.125 1.00 0.00 H new ATOM 0 HA LEU B 64 8.408 -0.896 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 64 9.665 -3.241 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.640 -1.858 -5.134 1.00 0.00 H new ATOM 0 HG LEU B 64 8.984 -3.447 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.102 -4.534 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU B 64 10.658 -4.908 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.929 -3.710 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.468 -2.374 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.276 -1.483 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.562 -1.171 -2.452 1.00 0.00 H new ATOM 1632 N GLU B 65 8.831 -1.193 -7.433 1.00 0.00 N ATOM 1633 CA GLU B 65 8.999 -0.443 -8.681 1.00 0.00 C ATOM 1634 C GLU B 65 8.043 0.759 -8.759 1.00 0.00 C ATOM 1635 O GLU B 65 8.441 1.844 -9.188 1.00 0.00 O ATOM 1636 CB GLU B 65 8.821 -1.388 -9.887 1.00 0.00 C ATOM 1637 CG GLU B 65 7.656 -1.050 -10.811 1.00 0.00 C ATOM 1638 CD GLU B 65 8.104 -0.445 -12.127 1.00 0.00 C ATOM 1639 OE1 GLU B 65 8.813 -1.133 -12.890 1.00 0.00 O ATOM 1640 OE2 GLU B 65 7.734 0.712 -12.414 1.00 0.00 O ATOM 0 H GLU B 65 8.791 -2.205 -7.557 1.00 0.00 H new ATOM 0 HA GLU B 65 10.010 -0.036 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU B 65 9.741 -1.382 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU B 65 8.686 -2.404 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.082 -1.955 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU B 65 6.988 -0.353 -10.305 1.00 0.00 H new ATOM 1647 N GLU B 66 6.800 0.572 -8.318 1.00 0.00 N ATOM 1648 CA GLU B 66 5.802 1.640 -8.339 1.00 0.00 C ATOM 1649 C GLU B 66 6.199 2.792 -7.413 1.00 0.00 C ATOM 1650 O GLU B 66 5.847 3.945 -7.655 1.00 0.00 O ATOM 1651 CB GLU B 66 4.436 1.078 -7.933 1.00 0.00 C ATOM 1652 CG GLU B 66 3.255 1.919 -8.396 1.00 0.00 C ATOM 1653 CD GLU B 66 2.744 2.858 -7.321 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.347 2.372 -6.243 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.725 4.082 -7.557 1.00 0.00 O ATOM 0 H GLU B 66 6.459 -0.312 -7.941 1.00 0.00 H new ATOM 0 HA GLU B 66 5.744 2.035 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU B 66 4.334 0.072 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU B 66 4.400 0.988 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU B 66 3.549 2.500 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU B 66 2.446 1.259 -8.710 1.00 0.00 H new ATOM 1662 N ALA B 67 6.944 2.477 -6.364 1.00 0.00 N ATOM 1663 CA ALA B 67 7.385 3.484 -5.408 1.00 0.00 C ATOM 1664 C ALA B 67 8.678 4.159 -5.865 1.00 0.00 C ATOM 1665 O ALA B 67 9.227 5.008 -5.163 1.00 0.00 O ATOM 1666 CB ALA B 67 7.566 2.861 -4.032 1.00 0.00 C ATOM 0 H ALA B 67 7.257 1.530 -6.152 1.00 0.00 H new ATOM 0 HA ALA B 67 6.614 4.252 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA B 67 7.896 3.625 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA B 67 6.618 2.441 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA B 67 8.314 2.070 -4.086 1.00 0.00 H new ATOM 1672 N GLY B 68 9.164 3.774 -7.039 1.00 0.00 N ATOM 1673 CA GLY B 68 10.378 4.367 -7.566 1.00 0.00 C ATOM 1674 C GLY B 68 11.557 3.417 -7.547 1.00 0.00 C ATOM 1675 O GLY B 68 12.640 3.747 -8.036 1.00 0.00 O ATOM 0 H GLY B 68 8.740 3.063 -7.635 1.00 0.00 H new ATOM 0 HA2 GLY B 68 10.200 4.696 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY B 68 10.624 5.255 -6.984 1.00 0.00 H new ATOM 1679 N VAL B 69 11.359 2.231 -6.993 1.00 0.00 N ATOM 1680 CA VAL B 69 12.426 1.241 -6.921 1.00 0.00 C ATOM 1681 C VAL B 69 12.496 0.452 -8.224 1.00 0.00 C ATOM 1682 O VAL B 69 12.302 -0.763 -8.250 1.00 0.00 O ATOM 1683 CB VAL B 69 12.234 0.271 -5.734 1.00 0.00 C ATOM 1684 CG1 VAL B 69 13.543 -0.421 -5.385 1.00 0.00 C ATOM 1685 CG2 VAL B 69 11.677 0.999 -4.521 1.00 0.00 C ATOM 0 H VAL B 69 10.473 1.930 -6.587 1.00 0.00 H new ATOM 0 HA VAL B 69 13.361 1.779 -6.765 1.00 0.00 H new ATOM 0 HB VAL B 69 11.513 -0.489 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL B 69 13.384 -1.099 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.897 -0.987 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL B 69 14.288 0.326 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL B 69 11.551 0.294 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL B 69 12.368 1.787 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL B 69 10.712 1.439 -4.772 1.00 0.00 H new ATOM 1695 N GLN B 70 12.773 1.158 -9.309 1.00 0.00 N ATOM 1696 CA GLN B 70 12.867 0.546 -10.626 1.00 0.00 C ATOM 1697 C GLN B 70 14.307 0.149 -10.926 1.00 0.00 C ATOM 1698 O GLN B 70 14.828 0.415 -12.012 1.00 0.00 O ATOM 1699 CB GLN B 70 12.346 1.510 -11.689 1.00 0.00 C ATOM 1700 CG GLN B 70 10.871 1.837 -11.531 1.00 0.00 C ATOM 1701 CD GLN B 70 10.435 3.003 -12.391 1.00 0.00 C ATOM 1702 OE1 GLN B 70 11.201 3.941 -12.624 1.00 0.00 O ATOM 1703 NE2 GLN B 70 9.205 2.953 -12.870 1.00 0.00 N ATOM 0 H GLN B 70 12.938 2.165 -9.303 1.00 0.00 H new ATOM 0 HA GLN B 70 12.253 -0.355 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.923 2.434 -11.646 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.512 1.077 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN B 70 10.279 0.959 -11.789 1.00 0.00 H new ATOM 0 HG3 GLN B 70 10.664 2.065 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN B 70 8.605 2.158 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN B 70 8.855 3.710 -13.458 1.00 0.00 H new ATOM 1712 N ASP B 71 14.940 -0.488 -9.953 1.00 0.00 N ATOM 1713 CA ASP B 71 16.318 -0.932 -10.090 1.00 0.00 C ATOM 1714 C ASP B 71 16.455 -2.356 -9.570 1.00 0.00 C ATOM 1715 O ASP B 71 15.976 -2.670 -8.477 1.00 0.00 O ATOM 1716 CB ASP B 71 17.264 0.001 -9.333 1.00 0.00 C ATOM 1717 CG ASP B 71 18.713 -0.437 -9.426 1.00 0.00 C ATOM 1718 OD1 ASP B 71 19.378 -0.081 -10.419 1.00 0.00 O ATOM 1719 OD2 ASP B 71 19.193 -1.136 -8.510 1.00 0.00 O ATOM 0 H ASP B 71 14.516 -0.710 -9.052 1.00 0.00 H new ATOM 0 HA ASP B 71 16.589 -0.909 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP B 71 17.167 1.011 -9.731 1.00 0.00 H new ATOM 0 HB3 ASP B 71 16.967 0.041 -8.285 1.00 0.00 H new ATOM 1724 N PRO B 72 17.089 -3.237 -10.357 1.00 0.00 N ATOM 1725 CA PRO B 72 17.284 -4.646 -9.993 1.00 0.00 C ATOM 1726 C PRO B 72 17.969 -4.830 -8.638 1.00 0.00 C ATOM 1727 O PRO B 72 17.431 -5.497 -7.752 1.00 0.00 O ATOM 1728 CB PRO B 72 18.170 -5.202 -11.117 1.00 0.00 C ATOM 1729 CG PRO B 72 18.688 -4.012 -11.852 1.00 0.00 C ATOM 1730 CD PRO B 72 17.665 -2.933 -11.675 1.00 0.00 C ATOM 0 HA PRO B 72 16.327 -5.158 -9.892 1.00 0.00 H new ATOM 0 HB2 PRO B 72 18.988 -5.798 -10.712 1.00 0.00 H new ATOM 0 HB3 PRO B 72 17.599 -5.853 -11.779 1.00 0.00 H new ATOM 0 HG2 PRO B 72 19.655 -3.701 -11.456 1.00 0.00 H new ATOM 0 HG3 PRO B 72 18.834 -4.240 -12.908 1.00 0.00 H new ATOM 0 HD2 PRO B 72 18.116 -1.941 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO B 72 16.910 -2.959 -12.461 1.00 0.00 H new ATOM 1738 N ALA B 73 19.145 -4.230 -8.481 1.00 0.00 N ATOM 1739 CA ALA B 73 19.908 -4.344 -7.242 1.00 0.00 C ATOM 1740 C ALA B 73 19.132 -3.794 -6.050 1.00 0.00 C ATOM 1741 O ALA B 73 19.100 -4.417 -4.988 1.00 0.00 O ATOM 1742 CB ALA B 73 21.244 -3.631 -7.376 1.00 0.00 C ATOM 0 H ALA B 73 19.591 -3.658 -9.198 1.00 0.00 H new ATOM 0 HA ALA B 73 20.086 -5.404 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA B 73 21.802 -3.725 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA B 73 21.816 -4.080 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.073 -2.576 -7.592 1.00 0.00 H new ATOM 1748 N HIS B 74 18.508 -2.633 -6.231 1.00 0.00 N ATOM 1749 CA HIS B 74 17.732 -2.003 -5.163 1.00 0.00 C ATOM 1750 C HIS B 74 16.634 -2.935 -4.659 1.00 0.00 C ATOM 1751 O HIS B 74 16.475 -3.119 -3.451 1.00 0.00 O ATOM 1752 CB HIS B 74 17.116 -0.684 -5.637 1.00 0.00 C ATOM 1753 CG HIS B 74 18.112 0.422 -5.822 1.00 0.00 C ATOM 1754 ND1 HIS B 74 17.820 1.629 -6.423 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.422 0.486 -5.478 1.00 0.00 C ATOM 1756 CE1 HIS B 74 18.936 2.367 -6.426 1.00 0.00 C ATOM 1757 NE2 HIS B 74 19.938 1.720 -5.864 1.00 0.00 N ATOM 0 H HIS B 74 18.524 -2.109 -7.106 1.00 0.00 H new ATOM 0 HA HIS B 74 18.417 -1.795 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS B 74 16.599 -0.855 -6.581 1.00 0.00 H new ATOM 0 HB3 HIS B 74 16.364 -0.365 -4.915 1.00 0.00 H new ATOM 0 HD2 HIS B 74 19.977 -0.297 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS B 74 19.007 3.364 -6.836 1.00 0.00 H new ATOM 0 HE2 HIS B 74 20.893 2.054 -5.738 1.00 0.00 H new ATOM 1765 N LYS B 75 15.885 -3.526 -5.586 1.00 0.00 N ATOM 1766 CA LYS B 75 14.806 -4.441 -5.224 1.00 0.00 C ATOM 1767 C LYS B 75 15.366 -5.670 -4.522 1.00 0.00 C ATOM 1768 O LYS B 75 14.855 -6.097 -3.486 1.00 0.00 O ATOM 1769 CB LYS B 75 14.022 -4.878 -6.464 1.00 0.00 C ATOM 1770 CG LYS B 75 13.191 -3.772 -7.093 1.00 0.00 C ATOM 1771 CD LYS B 75 12.267 -4.316 -8.176 1.00 0.00 C ATOM 1772 CE LYS B 75 13.048 -4.917 -9.335 1.00 0.00 C ATOM 1773 NZ LYS B 75 12.566 -6.279 -9.685 1.00 0.00 N ATOM 0 H LYS B 75 16.004 -3.389 -6.590 1.00 0.00 H new ATOM 0 HA LYS B 75 14.133 -3.913 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS B 75 14.722 -5.260 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS B 75 13.364 -5.703 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS B 75 12.599 -3.277 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS B 75 13.851 -3.018 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS B 75 11.611 -5.074 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS B 75 11.628 -3.514 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS B 75 12.962 -4.267 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.105 -4.963 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.252 -6.738 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 12.463 -6.844 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 11.645 -6.209 -10.164 1.00 0.00 H new ATOM 1787 N ARG B 76 16.422 -6.229 -5.099 1.00 0.00 N ATOM 1788 CA ARG B 76 17.067 -7.415 -4.552 1.00 0.00 C ATOM 1789 C ARG B 76 17.548 -7.173 -3.122 1.00 0.00 C ATOM 1790 O ARG B 76 17.230 -7.944 -2.214 1.00 0.00 O ATOM 1791 CB ARG B 76 18.242 -7.833 -5.440 1.00 0.00 C ATOM 1792 CG ARG B 76 19.035 -9.013 -4.899 1.00 0.00 C ATOM 1793 CD ARG B 76 18.203 -10.285 -4.883 1.00 0.00 C ATOM 1794 NE ARG B 76 18.743 -11.273 -3.953 1.00 0.00 N ATOM 1795 CZ ARG B 76 18.070 -11.777 -2.919 1.00 0.00 C ATOM 1796 NH1 ARG B 76 16.826 -11.382 -2.668 1.00 0.00 N ATOM 1797 NH2 ARG B 76 18.644 -12.678 -2.135 1.00 0.00 N ATOM 0 H ARG B 76 16.853 -5.876 -5.953 1.00 0.00 H new ATOM 0 HA ARG B 76 16.332 -8.219 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG B 76 17.864 -8.086 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG B 76 18.913 -6.983 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG B 76 19.924 -9.166 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.378 -8.789 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.177 -10.045 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG B 76 18.169 -10.710 -5.886 1.00 0.00 H new ATOM 0 HE ARG B 76 19.698 -11.599 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG B 76 16.380 -10.689 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG B 76 16.317 -11.772 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG B 76 19.599 -12.984 -2.324 1.00 0.00 H new ATOM 0 HH22 ARG B 76 18.131 -13.065 -1.343 1.00 0.00 H new ATOM 1811 N LEU B 77 18.308 -6.101 -2.931 1.00 0.00 N ATOM 1812 CA LEU B 77 18.837 -5.761 -1.614 1.00 0.00 C ATOM 1813 C LEU B 77 17.727 -5.501 -0.604 1.00 0.00 C ATOM 1814 O LEU B 77 17.808 -5.957 0.537 1.00 0.00 O ATOM 1815 CB LEU B 77 19.761 -4.544 -1.706 1.00 0.00 C ATOM 1816 CG LEU B 77 21.257 -4.864 -1.799 1.00 0.00 C ATOM 1817 CD1 LEU B 77 21.745 -5.521 -0.518 1.00 0.00 C ATOM 1818 CD2 LEU B 77 21.547 -5.754 -2.999 1.00 0.00 C ATOM 0 H LEU B 77 18.572 -5.451 -3.672 1.00 0.00 H new ATOM 0 HA LEU B 77 19.409 -6.620 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.477 -3.958 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.594 -3.915 -0.832 1.00 0.00 H new ATOM 0 HG LEU B 77 21.796 -3.926 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU B 77 22.809 -5.740 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.580 -4.847 0.322 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.196 -6.448 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU B 77 22.615 -5.967 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU B 77 20.994 -6.688 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU B 77 21.240 -5.245 -3.912 1.00 0.00 H new ATOM 1830 N LEU B 78 16.688 -4.783 -1.019 1.00 0.00 N ATOM 1831 CA LEU B 78 15.573 -4.481 -0.126 1.00 0.00 C ATOM 1832 C LEU B 78 14.930 -5.773 0.370 1.00 0.00 C ATOM 1833 O LEU B 78 14.645 -5.919 1.560 1.00 0.00 O ATOM 1834 CB LEU B 78 14.537 -3.601 -0.833 1.00 0.00 C ATOM 1835 CG LEU B 78 13.709 -2.704 0.093 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.436 -1.365 -0.571 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.401 -3.385 0.473 1.00 0.00 C ATOM 0 H LEU B 78 16.594 -4.402 -1.960 1.00 0.00 H new ATOM 0 HA LEU B 78 15.956 -3.931 0.733 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.052 -2.971 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU B 78 13.858 -4.244 -1.393 1.00 0.00 H new ATOM 0 HG LEU B 78 14.282 -2.530 1.004 1.00 0.00 H new ATOM 0 HD11 LEU B 78 12.847 -0.740 0.100 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.381 -0.869 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU B 78 12.884 -1.524 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU B 78 11.828 -2.731 1.131 1.00 0.00 H new ATOM 0 HD22 LEU B 78 11.823 -3.590 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.615 -4.321 0.988 1.00 0.00 H new ATOM 1849 N LEU B 79 14.712 -6.709 -0.549 1.00 0.00 N ATOM 1850 CA LEU B 79 14.121 -8.001 -0.212 1.00 0.00 C ATOM 1851 C LEU B 79 14.975 -8.739 0.820 1.00 0.00 C ATOM 1852 O LEU B 79 14.450 -9.365 1.740 1.00 0.00 O ATOM 1853 CB LEU B 79 13.967 -8.861 -1.470 1.00 0.00 C ATOM 1854 CG LEU B 79 12.531 -9.032 -1.975 1.00 0.00 C ATOM 1855 CD1 LEU B 79 11.918 -7.685 -2.331 1.00 0.00 C ATOM 1856 CD2 LEU B 79 12.499 -9.965 -3.176 1.00 0.00 C ATOM 0 H LEU B 79 14.937 -6.596 -1.538 1.00 0.00 H new ATOM 0 HA LEU B 79 13.136 -7.819 0.219 1.00 0.00 H new ATOM 0 HB2 LEU B 79 14.565 -8.419 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.384 -9.848 -1.269 1.00 0.00 H new ATOM 0 HG LEU B 79 11.938 -9.474 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.898 -7.832 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.905 -7.046 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU B 79 12.511 -7.211 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.472 -10.076 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.109 -9.548 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU B 79 12.893 -10.940 -2.890 1.00 0.00 H new ATOM 1868 N ASP B 80 16.290 -8.645 0.668 1.00 0.00 N ATOM 1869 CA ASP B 80 17.219 -9.299 1.586 1.00 0.00 C ATOM 1870 C ASP B 80 17.188 -8.619 2.952 1.00 0.00 C ATOM 1871 O ASP B 80 17.278 -9.276 3.991 1.00 0.00 O ATOM 1872 CB ASP B 80 18.639 -9.270 1.014 1.00 0.00 C ATOM 1873 CG ASP B 80 19.611 -10.107 1.823 1.00 0.00 C ATOM 1874 OD1 ASP B 80 19.448 -11.346 1.862 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.551 -9.534 2.414 1.00 0.00 O ATOM 0 H ASP B 80 16.740 -8.122 -0.083 1.00 0.00 H new ATOM 0 HA ASP B 80 16.910 -10.337 1.708 1.00 0.00 H new ATOM 0 HB2 ASP B 80 18.620 -9.633 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP B 80 18.993 -8.239 0.981 1.00 0.00 H new ATOM 1880 N THR B 81 17.026 -7.300 2.941 1.00 0.00 N ATOM 1881 CA THR B 81 16.975 -6.520 4.172 1.00 0.00 C ATOM 1882 C THR B 81 15.732 -6.876 4.984 1.00 0.00 C ATOM 1883 O THR B 81 15.759 -6.877 6.216 1.00 0.00 O ATOM 1884 CB THR B 81 16.983 -5.008 3.876 1.00 0.00 C ATOM 1885 OG1 THR B 81 17.972 -4.711 2.886 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.278 -4.203 5.133 1.00 0.00 C ATOM 0 H THR B 81 16.927 -6.747 2.090 1.00 0.00 H new ATOM 0 HA THR B 81 17.865 -6.765 4.752 1.00 0.00 H new ATOM 0 HB THR B 81 15.994 -4.733 3.509 1.00 0.00 H new ATOM 0 HG1 THR B 81 17.631 -4.953 2.000 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.277 -3.140 4.893 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.514 -4.406 5.883 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.255 -4.485 5.525 1.00 0.00 H new ATOM 1894 N LEU B 82 14.643 -7.186 4.282 1.00 0.00 N ATOM 1895 CA LEU B 82 13.391 -7.562 4.930 1.00 0.00 C ATOM 1896 C LEU B 82 13.578 -8.823 5.763 1.00 0.00 C ATOM 1897 O LEU B 82 12.940 -8.996 6.796 1.00 0.00 O ATOM 1898 CB LEU B 82 12.293 -7.796 3.889 1.00 0.00 C ATOM 1899 CG LEU B 82 11.821 -6.548 3.141 1.00 0.00 C ATOM 1900 CD1 LEU B 82 10.947 -6.939 1.962 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.064 -5.620 4.077 1.00 0.00 C ATOM 0 H LEU B 82 14.604 -7.184 3.263 1.00 0.00 H new ATOM 0 HA LEU B 82 13.092 -6.743 5.584 1.00 0.00 H new ATOM 0 HB2 LEU B 82 12.656 -8.520 3.160 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.434 -8.247 4.386 1.00 0.00 H new ATOM 0 HG LEU B 82 12.696 -6.018 2.765 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.618 -6.041 1.439 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.518 -7.568 1.279 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.077 -7.489 2.321 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.736 -4.738 3.528 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.195 -6.140 4.481 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.717 -5.316 4.895 1.00 0.00 H new ATOM 1913 N GLN B 83 14.451 -9.702 5.298 1.00 0.00 N ATOM 1914 CA GLN B 83 14.724 -10.945 6.002 1.00 0.00 C ATOM 1915 C GLN B 83 15.745 -10.732 7.118 1.00 0.00 C ATOM 1916 O GLN B 83 15.539 -11.174 8.248 1.00 0.00 O ATOM 1917 CB GLN B 83 15.212 -12.011 5.019 1.00 0.00 C ATOM 1918 CG GLN B 83 14.299 -12.174 3.814 1.00 0.00 C ATOM 1919 CD GLN B 83 14.632 -13.393 2.975 1.00 0.00 C ATOM 1920 OE1 GLN B 83 15.778 -13.843 2.930 1.00 0.00 O ATOM 1921 NE2 GLN B 83 13.630 -13.932 2.297 1.00 0.00 N ATOM 0 H GLN B 83 14.983 -9.578 4.436 1.00 0.00 H new ATOM 0 HA GLN B 83 13.797 -11.290 6.461 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.213 -11.749 4.676 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.292 -12.966 5.538 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.266 -12.247 4.155 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.367 -11.282 3.191 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.695 -13.529 2.362 1.00 0.00 H new ATOM 0 HE22 GLN B 83 13.793 -14.750 1.710 1.00 0.00 H new ATOM 1930 N LEU B 84 16.861 -10.083 6.788 1.00 0.00 N ATOM 1931 CA LEU B 84 17.918 -9.808 7.762 1.00 0.00 C ATOM 1932 C LEU B 84 17.421 -8.989 8.955 1.00 0.00 C ATOM 1933 O LEU B 84 17.516 -9.430 10.103 1.00 0.00 O ATOM 1934 CB LEU B 84 19.071 -9.067 7.076 1.00 0.00 C ATOM 1935 CG LEU B 84 20.283 -8.771 7.964 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.008 -10.056 8.336 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.231 -7.808 7.264 1.00 0.00 C ATOM 0 H LEU B 84 17.057 -9.736 5.849 1.00 0.00 H new ATOM 0 HA LEU B 84 18.259 -10.769 8.148 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.403 -9.658 6.222 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.691 -8.124 6.683 1.00 0.00 H new ATOM 0 HG LEU B 84 19.927 -8.303 8.882 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.865 -9.821 8.967 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.328 -10.713 8.878 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.351 -10.556 7.430 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.087 -7.608 7.908 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.576 -8.251 6.330 1.00 0.00 H new ATOM 0 HD23 LEU B 84 20.710 -6.874 7.052 1.00 0.00 H new ATOM 1949 N SER B 85 16.903 -7.800 8.686 1.00 0.00 N ATOM 1950 CA SER B 85 16.425 -6.924 9.743 1.00 0.00 C ATOM 1951 C SER B 85 15.031 -7.328 10.212 1.00 0.00 C ATOM 1952 O SER B 85 14.852 -7.724 11.368 1.00 0.00 O ATOM 1953 CB SER B 85 16.419 -5.475 9.257 1.00 0.00 C ATOM 1954 OG SER B 85 17.542 -5.213 8.432 1.00 0.00 O ATOM 0 H SER B 85 16.803 -7.420 7.745 1.00 0.00 H new ATOM 0 HA SER B 85 17.103 -7.017 10.592 1.00 0.00 H new ATOM 0 HB2 SER B 85 15.502 -5.277 8.703 1.00 0.00 H new ATOM 0 HB3 SER B 85 16.426 -4.800 10.113 1.00 0.00 H new ATOM 0 HG SER B 85 17.517 -4.281 8.131 1.00 0.00 H new ATOM 1960 N LYS B 86 14.061 -7.242 9.302 1.00 0.00 N ATOM 1961 CA LYS B 86 12.673 -7.580 9.602 1.00 0.00 C ATOM 1962 C LYS B 86 12.145 -6.694 10.733 1.00 0.00 C ATOM 1963 O LYS B 86 11.436 -7.212 11.625 1.00 0.00 O ATOM 1964 CB LYS B 86 12.547 -9.066 9.968 1.00 0.00 C ATOM 1965 CG LYS B 86 11.142 -9.624 9.797 1.00 0.00 C ATOM 1966 CD LYS B 86 10.785 -10.581 10.923 1.00 0.00 C ATOM 1967 CE LYS B 86 9.417 -10.266 11.508 1.00 0.00 C ATOM 1968 NZ LYS B 86 9.299 -8.844 11.930 1.00 0.00 N ATOM 1969 OXT LYS B 86 12.454 -5.481 10.729 1.00 0.00 O ATOM 0 H LYS B 86 14.216 -6.937 8.341 1.00 0.00 H new ATOM 0 HA LYS B 86 12.069 -7.399 8.713 1.00 0.00 H new ATOM 0 HB2 LYS B 86 13.235 -9.642 9.349 1.00 0.00 H new ATOM 0 HB3 LYS B 86 12.859 -9.203 11.003 1.00 0.00 H new ATOM 0 HG2 LYS B 86 10.424 -8.804 9.772 1.00 0.00 H new ATOM 0 HG3 LYS B 86 11.068 -10.141 8.840 1.00 0.00 H new ATOM 0 HD2 LYS B 86 10.795 -11.605 10.549 1.00 0.00 H new ATOM 0 HD3 LYS B 86 11.540 -10.520 11.707 1.00 0.00 H new ATOM 0 HE2 LYS B 86 8.648 -10.489 10.769 1.00 0.00 H new ATOM 0 HE3 LYS B 86 9.232 -10.914 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 8.836 -8.795 12.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 10.247 -8.421 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 8.731 -8.321 11.233 1.00 0.00 H new TER 1983 LYS B 86