USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 169:sc= -0.962! (180deg=-1.71!) USER MOD Set 1.2: A 93 TYR OH : rot -146:sc= -6.92! USER MOD Set 1.3: A 94 HIS :FLIP no HE2:sc= -27.3! C(o=-44!,f=-35!) USER MOD Set 2.1: A 4 ASN : amide:sc= -6.15! C(o=-6.1!,f=-12!) USER MOD Set 2.2: A 76 TYR OH : rot -58:sc= 0.0977 USER MOD Set 3.1: A 62 LYS NZ :NH3+ 146:sc= 0.695 (180deg=0.676) USER MOD Set 3.2: A 64 TYR OH : rot 180:sc= 0.747 USER MOD Set 4.1: A 48 SER OG : rot 26:sc= -1.55! USER MOD Set 4.2: A 63 HIS : no HD1:sc= -18.9! C(o=-20!,f=-36!) USER MOD Set 5.1: A 39 SER OG : rot 151:sc= 0.62 USER MOD Set 5.2: A 44 THR OG1 : rot 94:sc= -2.61! USER MOD Set 5.3: A 46 THR OG1 : rot 180:sc= -9.27! USER MOD Set 5.4: A 65 HIS : no HE2:sc= -25.9! C(o=-37!,f=-44!) USER MOD Set 6.1: A 13 ASN :FLIP amide:sc= -24.1! C(o=-54!,f=-49!) USER MOD Set 6.2: A 35 MET CE :methyl -164:sc= -25.4! (180deg=-24.8!) USER MOD Set 7.1: A 17 SER OG : rot -160:sc= 0.533 USER MOD Set 7.2: A 20 LYS NZ :NH3+ -132:sc= -2.22! (180deg=-3.88!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.467 F(o=-1.8!,f=-0.47) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 154:sc= -3.84! USER MOD Single : A 12 TYR OH : rot 180:sc= -0.875 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 153:sc= -2.66! USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -18.1! (180deg=-21.3!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -6.77! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= -10.7! (180deg=-11.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -10.9! C(o=-16!,f=-11!) USER MOD Single : A 60 CYS SG : rot 48:sc= 0.0169 USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= 0.142! (180deg=-0.421!) USER MOD Single : A 69 THR OG1 : rot -114:sc= 0.527 USER MOD Single : A 70 ASN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 72 SER OG : rot 98:sc= -1.27 USER MOD Single : A 74 LYS NZ :NH3+ -136:sc= -0.107! (180deg=-2.47!) USER MOD Single : A 77 TYR OH : rot 144:sc= -2.13! USER MOD Single : A 82 TYR OH : rot 180:sc= 0.119 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 92 GLN :FLIP amide:sc= -2.56! C(o=-6.3!,f=-2.6!) USER MOD Single : A 95 GLN :FLIP amide:sc= -16.5! C(o=-22!,f=-17!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -7.12! C(o=-7.1!,f=-8.4!) USER MOD Single : A 103 THR OG1 : rot 31:sc= -4! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -38:sc= 0.371 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.091 10.661 5.482 1.00 0.00 C HETATM 2 O ACE A 3 -12.046 10.558 4.257 1.00 0.00 O HETATM 3 CH3 ACE A 3 -12.716 11.869 6.134 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.551 11.554 6.760 1.00 0.00 H new HETATM 0 H2 ACE A 3 -11.972 12.376 6.749 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.077 12.552 5.365 1.00 0.00 H new ATOM 7 N ASN A 4 -11.601 9.738 6.304 1.00 0.00 N ATOM 8 CA ASN A 4 -10.968 8.525 5.801 1.00 0.00 C ATOM 9 C ASN A 4 -9.449 8.649 5.837 1.00 0.00 C ATOM 10 O ASN A 4 -8.733 7.764 5.368 1.00 0.00 O ATOM 11 CB ASN A 4 -11.434 8.238 4.372 1.00 0.00 C ATOM 12 CG ASN A 4 -12.943 8.280 4.237 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.644 8.774 5.120 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.453 7.760 3.127 1.00 0.00 N ATOM 0 H ASN A 4 -11.630 9.808 7.321 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.262 7.697 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.991 8.968 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.072 7.257 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.462 7.760 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.835 7.361 2.420 1.00 0.00 H new ATOM 21 N ASN A 5 -8.964 9.752 6.398 1.00 0.00 N ATOM 22 CA ASN A 5 -7.529 9.992 6.497 1.00 0.00 C ATOM 23 C ASN A 5 -6.761 8.676 6.575 1.00 0.00 C ATOM 24 O ASN A 5 -7.280 7.670 7.057 1.00 0.00 O ATOM 25 CB ASN A 5 -7.217 10.851 7.723 1.00 0.00 C ATOM 26 CG ASN A 5 -7.886 10.330 8.979 1.00 0.00 C ATOM 27 OD1 ASN A 5 -7.609 9.077 9.321 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -8.643 11.045 9.636 1.00 0.00 N flip ATOM 0 H ASN A 5 -9.544 10.494 6.791 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.213 10.524 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.138 10.883 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.543 11.875 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.828 12.002 9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.085 10.680 10.480 1.00 0.00 H new ATOM 35 N LEU A 6 -5.520 8.691 6.097 1.00 0.00 N ATOM 36 CA LEU A 6 -4.679 7.500 6.114 1.00 0.00 C ATOM 37 C LEU A 6 -3.397 7.743 6.900 1.00 0.00 C ATOM 38 O LEU A 6 -3.010 6.936 7.744 1.00 0.00 O ATOM 39 CB LEU A 6 -4.303 7.087 4.695 1.00 0.00 C ATOM 40 CG LEU A 6 -5.367 6.338 3.902 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.741 5.141 3.224 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.503 5.893 4.798 1.00 0.00 C ATOM 0 H LEU A 6 -5.075 9.515 5.693 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.254 6.707 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.031 7.984 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.412 6.461 4.746 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.777 7.012 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.502 4.605 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.954 5.476 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.315 4.478 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.247 5.361 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.117 5.232 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.964 6.765 5.261 1.00 0.00 H new ATOM 54 N GLU A 7 -2.731 8.849 6.590 1.00 0.00 N ATOM 55 CA GLU A 7 -1.473 9.199 7.241 1.00 0.00 C ATOM 56 C GLU A 7 -1.336 8.500 8.581 1.00 0.00 C ATOM 57 O GLU A 7 -0.251 8.055 8.956 1.00 0.00 O ATOM 58 CB GLU A 7 -1.367 10.714 7.423 1.00 0.00 C ATOM 59 CG GLU A 7 -2.693 11.384 7.738 1.00 0.00 C ATOM 60 CD GLU A 7 -3.379 11.932 6.502 1.00 0.00 C ATOM 61 OE1 GLU A 7 -2.709 12.629 5.713 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.586 11.664 6.323 1.00 0.00 O ATOM 0 H GLU A 7 -3.042 9.522 5.889 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.660 8.863 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.662 10.926 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.955 11.153 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.352 10.666 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.526 12.196 8.446 1.00 0.00 H new ATOM 69 N THR A 8 -2.442 8.393 9.290 1.00 0.00 N ATOM 70 CA THR A 8 -2.455 7.732 10.581 1.00 0.00 C ATOM 71 C THR A 8 -1.684 6.423 10.504 1.00 0.00 C ATOM 72 O THR A 8 -1.265 5.872 11.523 1.00 0.00 O ATOM 73 CB THR A 8 -3.897 7.466 11.003 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.014 6.199 11.627 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.861 7.499 9.837 1.00 0.00 C ATOM 0 H THR A 8 -3.347 8.757 8.993 1.00 0.00 H new ATOM 0 HA THR A 8 -1.978 8.376 11.320 1.00 0.00 H new ATOM 0 HB THR A 8 -4.155 8.265 11.698 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.946 6.049 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.872 7.303 10.195 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.827 8.481 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.580 6.737 9.111 1.00 0.00 H new ATOM 83 N TYR A 9 -1.516 5.920 9.284 1.00 0.00 N ATOM 84 CA TYR A 9 -0.814 4.666 9.064 1.00 0.00 C ATOM 85 C TYR A 9 0.624 4.883 8.631 1.00 0.00 C ATOM 86 O TYR A 9 0.910 5.723 7.777 1.00 0.00 O ATOM 87 CB TYR A 9 -1.554 3.866 8.011 1.00 0.00 C ATOM 88 CG TYR A 9 -3.031 3.877 8.269 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.567 3.108 9.287 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.883 4.684 7.527 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.913 3.131 9.560 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.238 4.717 7.799 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.749 3.938 8.816 1.00 0.00 C ATOM 94 OH TYR A 9 -7.096 3.968 9.092 1.00 0.00 O ATOM 0 H TYR A 9 -1.859 6.365 8.433 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.787 4.122 10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.350 4.281 7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.189 2.839 8.006 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.916 2.479 9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.483 5.292 6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.315 2.520 10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.893 5.349 7.218 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.469 4.829 8.808 1.00 0.00 H new ATOM 104 N GLU A 10 1.523 4.101 9.208 1.00 0.00 N ATOM 105 CA GLU A 10 2.932 4.186 8.865 1.00 0.00 C ATOM 106 C GLU A 10 3.099 4.051 7.365 1.00 0.00 C ATOM 107 O GLU A 10 3.991 4.641 6.766 1.00 0.00 O ATOM 108 CB GLU A 10 3.715 3.066 9.546 1.00 0.00 C ATOM 109 CG GLU A 10 2.825 2.016 10.173 1.00 0.00 C ATOM 110 CD GLU A 10 3.605 0.975 10.951 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.831 1.150 11.114 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.989 -0.016 11.398 1.00 0.00 O ATOM 0 H GLU A 10 1.301 3.401 9.916 1.00 0.00 H new ATOM 0 HA GLU A 10 3.312 5.151 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.368 2.590 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.357 3.495 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.111 2.501 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.247 1.522 9.392 1.00 0.00 H new ATOM 119 N TRP A 11 2.242 3.231 6.777 1.00 0.00 N ATOM 120 CA TRP A 11 2.292 2.961 5.358 1.00 0.00 C ATOM 121 C TRP A 11 1.790 4.121 4.499 1.00 0.00 C ATOM 122 O TRP A 11 2.279 4.325 3.389 1.00 0.00 O ATOM 123 CB TRP A 11 1.482 1.707 5.067 1.00 0.00 C ATOM 124 CG TRP A 11 0.205 1.602 5.860 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.004 0.929 7.037 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.059 2.159 5.497 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.324 1.036 7.413 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.988 1.788 6.485 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.488 2.936 4.432 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.326 2.170 6.426 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.810 3.317 4.372 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.719 2.934 5.363 1.00 0.00 C ATOM 0 H TRP A 11 1.498 2.739 7.271 1.00 0.00 H new ATOM 0 HA TRP A 11 3.339 2.819 5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.240 1.682 4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.099 0.833 5.274 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.755 0.394 7.588 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.739 0.622 8.248 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.795 3.238 3.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.027 1.873 7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.151 3.922 3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.750 3.247 5.287 1.00 0.00 H new ATOM 143 N TYR A 12 0.805 4.863 4.988 1.00 0.00 N ATOM 144 CA TYR A 12 0.254 5.971 4.211 1.00 0.00 C ATOM 145 C TYR A 12 1.273 7.074 3.965 1.00 0.00 C ATOM 146 O TYR A 12 2.043 7.445 4.851 1.00 0.00 O ATOM 147 CB TYR A 12 -0.983 6.567 4.877 1.00 0.00 C ATOM 148 CG TYR A 12 -1.747 7.492 3.956 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.360 7.003 2.810 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.850 8.852 4.224 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.054 7.840 1.958 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.544 9.696 3.376 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.143 9.185 2.246 1.00 0.00 C ATOM 154 OH TYR A 12 -3.835 10.021 1.399 1.00 0.00 O ATOM 0 H TYR A 12 0.376 4.724 5.903 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.028 5.545 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.640 5.761 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.683 7.115 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.293 5.950 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.381 9.256 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.524 7.443 1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.616 10.750 3.599 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.804 10.937 1.746 1.00 0.00 H new ATOM 164 N ASN A 13 1.245 7.603 2.747 1.00 0.00 N ATOM 165 CA ASN A 13 2.137 8.684 2.347 1.00 0.00 C ATOM 166 C ASN A 13 1.370 9.723 1.535 1.00 0.00 C ATOM 167 O ASN A 13 1.041 9.496 0.372 1.00 0.00 O ATOM 168 CB ASN A 13 3.307 8.141 1.531 1.00 0.00 C ATOM 169 CG ASN A 13 4.635 8.367 2.220 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.017 7.428 3.069 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.307 9.373 1.990 1.00 0.00 N flip ATOM 0 H ASN A 13 0.607 7.296 2.013 1.00 0.00 H new ATOM 0 HA ASN A 13 2.532 9.156 3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.165 7.074 1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.320 8.622 0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.970 10.070 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.200 9.509 2.463 1.00 0.00 H new ATOM 178 N LYS A 14 1.077 10.858 2.161 1.00 0.00 N ATOM 179 CA LYS A 14 0.333 11.923 1.497 1.00 0.00 C ATOM 180 C LYS A 14 1.106 12.492 0.312 1.00 0.00 C ATOM 181 O LYS A 14 2.337 12.472 0.288 1.00 0.00 O ATOM 182 CB LYS A 14 0.006 13.042 2.486 1.00 0.00 C ATOM 183 CG LYS A 14 1.225 13.592 3.208 1.00 0.00 C ATOM 184 CD LYS A 14 0.862 14.778 4.087 1.00 0.00 C ATOM 185 CE LYS A 14 0.070 14.344 5.310 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.201 15.484 6.229 1.00 0.00 N ATOM 0 H LYS A 14 1.342 11.064 3.124 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.594 11.490 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.487 13.855 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.704 12.668 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.672 12.808 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.976 13.895 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.771 15.289 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.278 15.495 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.874 13.901 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.622 13.570 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.743 15.147 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.700 15.891 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.749 16.211 5.727 1.00 0.00 H new ATOM 200 N SER A 15 0.366 13.007 -0.665 1.00 0.00 N ATOM 201 CA SER A 15 0.959 13.598 -1.863 1.00 0.00 C ATOM 202 C SER A 15 2.057 12.713 -2.452 1.00 0.00 C ATOM 203 O SER A 15 2.759 13.120 -3.378 1.00 0.00 O ATOM 204 CB SER A 15 1.528 14.981 -1.542 1.00 0.00 C ATOM 205 OG SER A 15 1.173 15.923 -2.539 1.00 0.00 O ATOM 0 H SER A 15 -0.654 13.027 -0.651 1.00 0.00 H new ATOM 0 HA SER A 15 0.168 13.690 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.156 15.315 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.614 14.922 -1.463 1.00 0.00 H new ATOM 0 HG SER A 15 1.548 16.799 -2.310 1.00 0.00 H new ATOM 211 N ILE A 16 2.211 11.509 -1.911 1.00 0.00 N ATOM 212 CA ILE A 16 3.229 10.584 -2.383 1.00 0.00 C ATOM 213 C ILE A 16 2.860 9.948 -3.714 1.00 0.00 C ATOM 214 O ILE A 16 1.686 9.851 -4.073 1.00 0.00 O ATOM 215 CB ILE A 16 3.470 9.465 -1.361 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.798 9.674 -0.656 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.441 8.100 -2.032 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.562 8.386 -0.465 1.00 0.00 C ATOM 0 H ILE A 16 1.641 11.153 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 16 4.136 11.174 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 16 2.668 9.500 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.406 10.371 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.621 10.135 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.614 7.324 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.468 7.944 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.220 8.052 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.503 8.593 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.969 7.697 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.766 7.937 -1.437 1.00 0.00 H new ATOM 230 N SER A 17 3.882 9.494 -4.427 1.00 0.00 N ATOM 231 CA SER A 17 3.701 8.835 -5.709 1.00 0.00 C ATOM 232 C SER A 17 4.376 7.470 -5.685 1.00 0.00 C ATOM 233 O SER A 17 4.790 6.995 -4.628 1.00 0.00 O ATOM 234 CB SER A 17 4.279 9.689 -6.838 1.00 0.00 C ATOM 235 OG SER A 17 3.305 10.578 -7.357 1.00 0.00 O ATOM 0 H SER A 17 4.855 9.573 -4.133 1.00 0.00 H new ATOM 0 HA SER A 17 2.634 8.704 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.133 10.256 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.647 9.043 -7.635 1.00 0.00 H new ATOM 0 HG SER A 17 3.576 10.875 -8.251 1.00 0.00 H new ATOM 241 N ARG A 18 4.491 6.844 -6.846 1.00 0.00 N ATOM 242 CA ARG A 18 5.123 5.535 -6.940 1.00 0.00 C ATOM 243 C ARG A 18 6.640 5.648 -6.801 1.00 0.00 C ATOM 244 O ARG A 18 7.299 4.726 -6.321 1.00 0.00 O ATOM 245 CB ARG A 18 4.766 4.871 -8.271 1.00 0.00 C ATOM 246 CG ARG A 18 5.959 4.670 -9.192 1.00 0.00 C ATOM 247 CD ARG A 18 5.565 4.806 -10.653 1.00 0.00 C ATOM 248 NE ARG A 18 4.723 3.700 -11.100 1.00 0.00 N ATOM 249 CZ ARG A 18 4.794 3.165 -12.315 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.664 3.634 -13.198 1.00 0.00 N ATOM 251 NH2 ARG A 18 3.994 2.160 -12.647 1.00 0.00 N ATOM 0 H ARG A 18 4.157 7.219 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 18 4.750 4.919 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.304 3.904 -8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.021 5.480 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.731 5.401 -8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.390 3.683 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.034 5.747 -10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.464 4.848 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 18 4.043 3.317 -10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.280 4.407 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.717 3.222 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.323 1.797 -11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.050 1.751 -13.580 1.00 0.00 H new ATOM 265 N ASP A 19 7.187 6.778 -7.238 1.00 0.00 N ATOM 266 CA ASP A 19 8.629 7.008 -7.178 1.00 0.00 C ATOM 267 C ASP A 19 9.115 7.277 -5.753 1.00 0.00 C ATOM 268 O ASP A 19 10.126 6.723 -5.321 1.00 0.00 O ATOM 269 CB ASP A 19 9.011 8.179 -8.084 1.00 0.00 C ATOM 270 CG ASP A 19 9.374 7.731 -9.486 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.780 6.562 -9.649 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.250 8.550 -10.421 1.00 0.00 O ATOM 0 H ASP A 19 6.654 7.550 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 19 9.116 6.096 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.180 8.882 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.854 8.713 -7.646 1.00 0.00 H new ATOM 277 N LYS A 20 8.406 8.143 -5.031 1.00 0.00 N ATOM 278 CA LYS A 20 8.794 8.491 -3.665 1.00 0.00 C ATOM 279 C LYS A 20 8.739 7.283 -2.736 1.00 0.00 C ATOM 280 O LYS A 20 9.703 6.995 -2.021 1.00 0.00 O ATOM 281 CB LYS A 20 7.893 9.599 -3.120 1.00 0.00 C ATOM 282 CG LYS A 20 7.808 10.812 -4.029 1.00 0.00 C ATOM 283 CD LYS A 20 6.727 10.636 -5.081 1.00 0.00 C ATOM 284 CE LYS A 20 5.674 11.730 -4.984 1.00 0.00 C ATOM 285 NZ LYS A 20 5.338 12.297 -6.318 1.00 0.00 N ATOM 0 H LYS A 20 7.565 8.614 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 20 9.825 8.844 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.891 9.199 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.264 9.911 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.599 11.701 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.770 10.973 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.177 10.650 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.254 9.662 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.772 11.326 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.036 12.525 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.355 13.336 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.035 11.972 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.389 11.980 -6.601 1.00 0.00 H new ATOM 299 N ALA A 21 7.612 6.580 -2.737 1.00 0.00 N ATOM 300 CA ALA A 21 7.468 5.417 -1.875 1.00 0.00 C ATOM 301 C ALA A 21 8.644 4.460 -2.068 1.00 0.00 C ATOM 302 O ALA A 21 9.116 3.828 -1.121 1.00 0.00 O ATOM 303 CB ALA A 21 6.137 4.722 -2.106 1.00 0.00 C ATOM 0 H ALA A 21 6.799 6.791 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 21 7.477 5.755 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.059 3.857 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.323 5.415 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.073 4.395 -3.144 1.00 0.00 H new ATOM 309 N GLU A 22 9.156 4.384 -3.289 1.00 0.00 N ATOM 310 CA GLU A 22 10.310 3.540 -3.550 1.00 0.00 C ATOM 311 C GLU A 22 11.495 4.113 -2.786 1.00 0.00 C ATOM 312 O GLU A 22 12.207 3.401 -2.065 1.00 0.00 O ATOM 313 CB GLU A 22 10.615 3.487 -5.049 1.00 0.00 C ATOM 314 CG GLU A 22 9.698 2.557 -5.824 1.00 0.00 C ATOM 315 CD GLU A 22 9.616 2.913 -7.296 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.478 3.683 -7.769 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.690 2.422 -7.975 1.00 0.00 O ATOM 0 H GLU A 22 8.797 4.887 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 22 10.107 2.521 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.534 4.492 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.647 3.166 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.055 1.532 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.699 2.592 -5.389 1.00 0.00 H new ATOM 324 N LYS A 23 11.666 5.426 -2.928 1.00 0.00 N ATOM 325 CA LYS A 23 12.725 6.147 -2.243 1.00 0.00 C ATOM 326 C LYS A 23 12.563 5.998 -0.740 1.00 0.00 C ATOM 327 O LYS A 23 13.521 5.694 -0.029 1.00 0.00 O ATOM 328 CB LYS A 23 12.691 7.627 -2.625 1.00 0.00 C ATOM 329 CG LYS A 23 11.913 8.491 -1.642 1.00 0.00 C ATOM 330 CD LYS A 23 12.812 9.024 -0.538 1.00 0.00 C ATOM 331 CE LYS A 23 12.012 9.403 0.697 1.00 0.00 C ATOM 332 NZ LYS A 23 11.669 10.852 0.715 1.00 0.00 N ATOM 0 H LYS A 23 11.076 6.012 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 23 13.686 5.729 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.713 8.000 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.247 7.728 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.453 9.325 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.104 7.907 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.554 8.270 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.358 9.895 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.096 8.813 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.585 9.155 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.124 11.069 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.543 11.416 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.101 11.085 -0.124 1.00 0.00 H new ATOM 346 N LEU A 24 11.337 6.199 -0.258 1.00 0.00 N ATOM 347 CA LEU A 24 11.067 6.064 1.164 1.00 0.00 C ATOM 348 C LEU A 24 11.167 4.594 1.556 1.00 0.00 C ATOM 349 O LEU A 24 11.644 4.264 2.642 1.00 0.00 O ATOM 350 CB LEU A 24 9.697 6.655 1.529 1.00 0.00 C ATOM 351 CG LEU A 24 8.598 5.638 1.824 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.371 4.767 0.609 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.960 4.797 3.037 1.00 0.00 C ATOM 0 H LEU A 24 10.528 6.452 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 24 11.811 6.629 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.819 7.296 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.366 7.293 0.709 1.00 0.00 H new ATOM 0 HG LEU A 24 7.673 6.168 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.586 4.042 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.071 5.389 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.293 4.241 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.164 4.078 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.892 4.265 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.084 5.445 3.905 1.00 0.00 H new ATOM 365 N LEU A 25 10.757 3.706 0.646 1.00 0.00 N ATOM 366 CA LEU A 25 10.854 2.272 0.898 1.00 0.00 C ATOM 367 C LEU A 25 12.318 1.888 1.044 1.00 0.00 C ATOM 368 O LEU A 25 12.712 1.245 2.017 1.00 0.00 O ATOM 369 CB LEU A 25 10.238 1.462 -0.246 1.00 0.00 C ATOM 370 CG LEU A 25 8.800 0.985 -0.018 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.342 1.309 1.392 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.871 1.595 -1.054 1.00 0.00 C ATOM 0 H LEU A 25 10.360 3.954 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 25 10.305 2.049 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.262 2.069 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.866 0.591 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 25 8.770 -0.098 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.318 0.961 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.995 0.812 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.383 2.387 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.853 1.247 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.902 2.682 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.191 1.294 -2.052 1.00 0.00 H new ATOM 384 N LEU A 26 13.121 2.298 0.064 1.00 0.00 N ATOM 385 CA LEU A 26 14.550 2.006 0.078 1.00 0.00 C ATOM 386 C LEU A 26 15.220 2.626 1.300 1.00 0.00 C ATOM 387 O LEU A 26 16.167 2.065 1.853 1.00 0.00 O ATOM 388 CB LEU A 26 15.210 2.529 -1.198 1.00 0.00 C ATOM 389 CG LEU A 26 15.016 1.650 -2.436 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.537 1.463 -2.730 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.730 2.256 -3.635 1.00 0.00 C ATOM 0 H LEU A 26 12.806 2.831 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 26 14.674 0.924 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.816 3.523 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.279 2.642 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 26 15.451 0.671 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.418 0.836 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.054 0.985 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.076 2.434 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.582 1.619 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.324 3.247 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.796 2.337 -3.421 1.00 0.00 H new ATOM 403 N ASP A 27 14.726 3.789 1.717 1.00 0.00 N ATOM 404 CA ASP A 27 15.279 4.487 2.872 1.00 0.00 C ATOM 405 C ASP A 27 15.308 3.577 4.096 1.00 0.00 C ATOM 406 O ASP A 27 16.330 3.462 4.772 1.00 0.00 O ATOM 407 CB ASP A 27 14.460 5.742 3.176 1.00 0.00 C ATOM 408 CG ASP A 27 14.640 6.818 2.123 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.756 6.932 1.575 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.665 7.547 1.847 1.00 0.00 O ATOM 0 H ASP A 27 13.943 4.267 1.271 1.00 0.00 H new ATOM 0 HA ASP A 27 16.302 4.778 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.405 5.477 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.753 6.137 4.149 1.00 0.00 H new ATOM 415 N THR A 28 14.181 2.928 4.373 1.00 0.00 N ATOM 416 CA THR A 28 14.079 2.023 5.512 1.00 0.00 C ATOM 417 C THR A 28 14.449 0.606 5.097 1.00 0.00 C ATOM 418 O THR A 28 15.337 -0.016 5.679 1.00 0.00 O ATOM 419 CB THR A 28 12.660 2.047 6.074 1.00 0.00 C ATOM 420 OG1 THR A 28 12.590 1.326 7.292 1.00 0.00 O ATOM 421 CG2 THR A 28 11.634 1.462 5.129 1.00 0.00 C ATOM 0 H THR A 28 13.326 3.012 3.824 1.00 0.00 H new ATOM 0 HA THR A 28 14.773 2.355 6.284 1.00 0.00 H new ATOM 0 HB THR A 28 12.427 3.100 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.862 1.683 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.647 1.509 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.629 2.031 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.886 0.423 4.917 1.00 0.00 H new ATOM 429 N GLY A 29 13.772 0.113 4.068 1.00 0.00 N ATOM 430 CA GLY A 29 14.046 -1.216 3.560 1.00 0.00 C ATOM 431 C GLY A 29 13.566 -2.336 4.467 1.00 0.00 C ATOM 432 O GLY A 29 14.377 -3.048 5.060 1.00 0.00 O ATOM 0 H GLY A 29 13.034 0.614 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.573 -1.325 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.120 -1.321 3.408 1.00 0.00 H new ATOM 436 N LYS A 30 12.250 -2.519 4.551 1.00 0.00 N ATOM 437 CA LYS A 30 11.680 -3.593 5.364 1.00 0.00 C ATOM 438 C LYS A 30 10.989 -4.612 4.473 1.00 0.00 C ATOM 439 O LYS A 30 10.179 -4.251 3.618 1.00 0.00 O ATOM 440 CB LYS A 30 10.680 -3.056 6.390 1.00 0.00 C ATOM 441 CG LYS A 30 11.173 -1.838 7.143 1.00 0.00 C ATOM 442 CD LYS A 30 10.464 -0.574 6.698 1.00 0.00 C ATOM 443 CE LYS A 30 9.790 -0.753 5.350 1.00 0.00 C ATOM 444 NZ LYS A 30 8.313 -0.892 5.486 1.00 0.00 N ATOM 0 H LYS A 30 11.561 -1.941 4.069 1.00 0.00 H new ATOM 0 HA LYS A 30 12.501 -4.067 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.750 -2.805 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.448 -3.845 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.018 -1.984 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.246 -1.726 6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.719 -0.293 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.181 0.245 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.018 0.102 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.195 -1.636 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.844 -0.410 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.057 -1.900 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.005 -0.464 6.382 1.00 0.00 H new ATOM 458 N GLU A 31 11.306 -5.886 4.669 1.00 0.00 N ATOM 459 CA GLU A 31 10.700 -6.937 3.868 1.00 0.00 C ATOM 460 C GLU A 31 9.253 -6.584 3.577 1.00 0.00 C ATOM 461 O GLU A 31 8.409 -6.602 4.471 1.00 0.00 O ATOM 462 CB GLU A 31 10.779 -8.279 4.596 1.00 0.00 C ATOM 463 CG GLU A 31 10.063 -9.408 3.872 1.00 0.00 C ATOM 464 CD GLU A 31 11.024 -10.409 3.260 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.698 -11.130 4.025 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.102 -10.473 2.015 1.00 0.00 O ATOM 0 H GLU A 31 11.973 -6.212 5.369 1.00 0.00 H new ATOM 0 HA GLU A 31 11.245 -7.024 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.826 -8.550 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.351 -8.168 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.404 -9.923 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.432 -8.990 3.088 1.00 0.00 H new ATOM 473 N GLY A 32 8.978 -6.245 2.325 1.00 0.00 N ATOM 474 CA GLY A 32 7.637 -5.872 1.940 1.00 0.00 C ATOM 475 C GLY A 32 7.247 -4.520 2.495 1.00 0.00 C ATOM 476 O GLY A 32 6.088 -4.297 2.846 1.00 0.00 O ATOM 0 H GLY A 32 9.663 -6.223 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.563 -5.853 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.934 -6.626 2.294 1.00 0.00 H new ATOM 480 N ALA A 33 8.215 -3.607 2.573 1.00 0.00 N ATOM 481 CA ALA A 33 7.949 -2.272 3.085 1.00 0.00 C ATOM 482 C ALA A 33 6.632 -1.765 2.525 1.00 0.00 C ATOM 483 O ALA A 33 6.531 -1.487 1.331 1.00 0.00 O ATOM 484 CB ALA A 33 9.066 -1.324 2.703 1.00 0.00 C ATOM 0 H ALA A 33 9.181 -3.770 2.290 1.00 0.00 H new ATOM 0 HA ALA A 33 7.890 -2.319 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.850 -0.330 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.006 -1.682 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.147 -1.276 1.617 1.00 0.00 H new ATOM 490 N PHE A 34 5.617 -1.668 3.372 1.00 0.00 N ATOM 491 CA PHE A 34 4.314 -1.221 2.917 1.00 0.00 C ATOM 492 C PHE A 34 4.128 0.283 3.023 1.00 0.00 C ATOM 493 O PHE A 34 4.335 0.877 4.076 1.00 0.00 O ATOM 494 CB PHE A 34 3.204 -1.903 3.698 1.00 0.00 C ATOM 495 CG PHE A 34 1.891 -1.212 3.518 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.435 -0.933 2.245 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.110 -0.840 4.596 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.233 -0.297 2.048 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.088 -0.210 4.399 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.531 0.068 3.129 1.00 0.00 C ATOM 0 H PHE A 34 5.671 -1.891 4.366 1.00 0.00 H new ATOM 0 HA PHE A 34 4.261 -1.494 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.116 -2.940 3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.463 -1.921 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.032 -1.219 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.448 -1.048 5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.110 -0.085 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.691 0.071 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.475 0.571 2.981 1.00 0.00 H new ATOM 510 N MET A 35 3.690 0.880 1.927 1.00 0.00 N ATOM 511 CA MET A 35 3.418 2.306 1.887 1.00 0.00 C ATOM 512 C MET A 35 2.140 2.558 1.104 1.00 0.00 C ATOM 513 O MET A 35 1.751 1.743 0.272 1.00 0.00 O ATOM 514 CB MET A 35 4.581 3.068 1.255 1.00 0.00 C ATOM 515 CG MET A 35 4.202 4.452 0.761 1.00 0.00 C ATOM 516 SD MET A 35 5.448 5.689 1.156 1.00 0.00 S ATOM 517 CE MET A 35 5.886 5.178 2.812 1.00 0.00 C ATOM 0 H MET A 35 3.514 0.394 1.047 1.00 0.00 H new ATOM 0 HA MET A 35 3.296 2.666 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.385 3.159 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.974 2.488 0.420 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.054 4.421 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.250 4.745 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.425 5.983 3.311 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.980 4.946 3.373 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.520 4.293 2.764 1.00 0.00 H new ATOM 527 N VAL A 36 1.487 3.678 1.369 1.00 0.00 N ATOM 528 CA VAL A 36 0.253 4.008 0.667 1.00 0.00 C ATOM 529 C VAL A 36 0.252 5.440 0.190 1.00 0.00 C ATOM 530 O VAL A 36 0.895 6.309 0.780 1.00 0.00 O ATOM 531 CB VAL A 36 -0.998 3.754 1.517 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.249 4.085 0.723 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.027 2.312 1.980 1.00 0.00 C ATOM 0 H VAL A 36 1.785 4.369 2.058 1.00 0.00 H new ATOM 0 HA VAL A 36 0.217 3.342 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.967 4.400 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.130 3.900 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.226 5.134 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.291 3.459 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.919 2.141 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.043 1.652 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.140 2.104 2.578 1.00 0.00 H new ATOM 543 N ARG A 37 -0.451 5.675 -0.905 1.00 0.00 N ATOM 544 CA ARG A 37 -0.509 6.996 -1.490 1.00 0.00 C ATOM 545 C ARG A 37 -1.841 7.243 -2.191 1.00 0.00 C ATOM 546 O ARG A 37 -2.206 6.530 -3.125 1.00 0.00 O ATOM 547 CB ARG A 37 0.651 7.132 -2.467 1.00 0.00 C ATOM 548 CG ARG A 37 0.544 6.204 -3.652 1.00 0.00 C ATOM 549 CD ARG A 37 1.839 6.150 -4.427 1.00 0.00 C ATOM 550 NE ARG A 37 2.204 4.787 -4.786 1.00 0.00 N ATOM 551 CZ ARG A 37 2.490 3.850 -3.894 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.463 4.136 -2.600 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.806 2.630 -4.293 1.00 0.00 N ATOM 0 H ARG A 37 -0.988 4.966 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.428 7.745 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.698 8.161 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.585 6.933 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.281 5.203 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.260 6.539 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.745 6.750 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.637 6.594 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 37 2.241 4.541 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.222 5.078 -2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.683 3.414 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.830 2.409 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.026 1.909 -3.605 1.00 0.00 H new ATOM 567 N ASP A 38 -2.561 8.262 -1.729 1.00 0.00 N ATOM 568 CA ASP A 38 -3.854 8.614 -2.305 1.00 0.00 C ATOM 569 C ASP A 38 -3.703 9.063 -3.755 1.00 0.00 C ATOM 570 O ASP A 38 -2.686 9.643 -4.133 1.00 0.00 O ATOM 571 CB ASP A 38 -4.516 9.721 -1.483 1.00 0.00 C ATOM 572 CG ASP A 38 -5.721 10.318 -2.182 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.599 10.680 -3.371 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.788 10.422 -1.541 1.00 0.00 O ATOM 0 H ASP A 38 -2.269 8.859 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.486 7.726 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.822 9.319 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.788 10.507 -1.285 1.00 0.00 H new ATOM 579 N SER A 39 -4.722 8.787 -4.563 1.00 0.00 N ATOM 580 CA SER A 39 -4.704 9.160 -5.971 1.00 0.00 C ATOM 581 C SER A 39 -5.979 9.903 -6.358 1.00 0.00 C ATOM 582 O SER A 39 -7.082 9.493 -5.995 1.00 0.00 O ATOM 583 CB SER A 39 -4.541 7.915 -6.844 1.00 0.00 C ATOM 584 OG SER A 39 -3.198 7.760 -7.268 1.00 0.00 O ATOM 0 H SER A 39 -5.571 8.306 -4.265 1.00 0.00 H new ATOM 0 HA SER A 39 -3.857 9.826 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.853 7.032 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.194 7.989 -7.714 1.00 0.00 H new ATOM 0 HG SER A 39 -3.004 6.808 -7.398 1.00 0.00 H new ATOM 590 N ARG A 40 -5.822 10.996 -7.100 1.00 0.00 N ATOM 591 CA ARG A 40 -6.963 11.792 -7.539 1.00 0.00 C ATOM 592 C ARG A 40 -7.981 10.919 -8.264 1.00 0.00 C ATOM 593 O ARG A 40 -9.113 11.337 -8.509 1.00 0.00 O ATOM 594 CB ARG A 40 -6.499 12.925 -8.457 1.00 0.00 C ATOM 595 CG ARG A 40 -5.773 14.042 -7.726 1.00 0.00 C ATOM 596 CD ARG A 40 -5.432 15.191 -8.662 1.00 0.00 C ATOM 597 NE ARG A 40 -6.629 15.851 -9.175 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.753 16.284 -10.426 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.755 16.126 -11.286 1.00 0.00 N ATOM 600 NH2 ARG A 40 -7.874 16.874 -10.817 1.00 0.00 N ATOM 0 H ARG A 40 -4.917 11.350 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.438 12.222 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.840 12.515 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.365 13.342 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.395 14.409 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.859 13.652 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.815 15.918 -8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.839 14.816 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.414 15.988 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.892 15.672 -10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.851 16.459 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.643 16.996 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.968 17.206 -11.777 1.00 0.00 H new ATOM 614 N THR A 41 -7.566 9.704 -8.600 1.00 0.00 N ATOM 615 CA THR A 41 -8.429 8.755 -9.295 1.00 0.00 C ATOM 616 C THR A 41 -9.815 8.706 -8.649 1.00 0.00 C ATOM 617 O THR A 41 -10.165 9.577 -7.852 1.00 0.00 O ATOM 618 CB THR A 41 -7.778 7.372 -9.283 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.047 6.675 -10.487 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.231 6.506 -8.129 1.00 0.00 C ATOM 0 H THR A 41 -6.630 9.350 -8.401 1.00 0.00 H new ATOM 0 HA THR A 41 -8.556 9.081 -10.327 1.00 0.00 H new ATOM 0 HB THR A 41 -6.710 7.559 -9.173 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.759 5.743 -10.396 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.730 5.539 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.980 6.994 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.310 6.360 -8.186 1.00 0.00 H new ATOM 628 N PRO A 42 -10.629 7.691 -8.988 1.00 0.00 N ATOM 629 CA PRO A 42 -11.984 7.539 -8.444 1.00 0.00 C ATOM 630 C PRO A 42 -12.073 7.810 -6.942 1.00 0.00 C ATOM 631 O PRO A 42 -13.162 7.794 -6.369 1.00 0.00 O ATOM 632 CB PRO A 42 -12.309 6.080 -8.749 1.00 0.00 C ATOM 633 CG PRO A 42 -11.574 5.802 -10.013 1.00 0.00 C ATOM 634 CD PRO A 42 -10.304 6.609 -9.941 1.00 0.00 C ATOM 0 HA PRO A 42 -12.677 8.257 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.982 5.422 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.381 5.927 -8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.356 4.739 -10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.169 6.087 -10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.466 6.006 -9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.026 7.006 -10.917 1.00 0.00 H new ATOM 642 N GLY A 43 -10.933 8.065 -6.304 1.00 0.00 N ATOM 643 CA GLY A 43 -10.938 8.338 -4.878 1.00 0.00 C ATOM 644 C GLY A 43 -10.260 7.257 -4.064 1.00 0.00 C ATOM 645 O GLY A 43 -10.449 7.171 -2.851 1.00 0.00 O ATOM 0 H GLY A 43 -10.014 8.087 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.439 9.289 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.968 8.448 -4.539 1.00 0.00 H new ATOM 649 N THR A 44 -9.474 6.428 -4.732 1.00 0.00 N ATOM 650 CA THR A 44 -8.773 5.343 -4.064 1.00 0.00 C ATOM 651 C THR A 44 -7.433 5.796 -3.508 1.00 0.00 C ATOM 652 O THR A 44 -7.064 6.967 -3.592 1.00 0.00 O ATOM 653 CB THR A 44 -8.529 4.185 -5.028 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.203 3.703 -4.897 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.734 4.545 -6.482 1.00 0.00 C ATOM 0 H THR A 44 -9.305 6.486 -5.736 1.00 0.00 H new ATOM 0 HA THR A 44 -9.409 5.019 -3.240 1.00 0.00 H new ATOM 0 HB THR A 44 -9.266 3.430 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.187 2.957 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.542 3.671 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.760 4.879 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.048 5.345 -6.759 1.00 0.00 H new ATOM 663 N TYR A 45 -6.703 4.834 -2.959 1.00 0.00 N ATOM 664 CA TYR A 45 -5.385 5.080 -2.401 1.00 0.00 C ATOM 665 C TYR A 45 -4.381 4.124 -3.029 1.00 0.00 C ATOM 666 O TYR A 45 -4.757 3.079 -3.558 1.00 0.00 O ATOM 667 CB TYR A 45 -5.399 4.895 -0.884 1.00 0.00 C ATOM 668 CG TYR A 45 -6.456 5.712 -0.184 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.798 5.459 -0.405 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.112 6.731 0.693 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.778 6.198 0.227 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.084 7.477 1.332 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.416 7.206 1.096 1.00 0.00 C ATOM 674 OH TYR A 45 -9.388 7.946 1.729 1.00 0.00 O ATOM 0 H TYR A 45 -7.009 3.864 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.097 6.108 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.557 3.841 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.421 5.164 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.084 4.669 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.070 6.944 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.821 5.988 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.803 8.267 2.012 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.965 8.615 2.308 1.00 0.00 H new ATOM 684 N THR A 46 -3.108 4.474 -2.969 1.00 0.00 N ATOM 685 CA THR A 46 -2.067 3.626 -3.530 1.00 0.00 C ATOM 686 C THR A 46 -1.251 2.985 -2.412 1.00 0.00 C ATOM 687 O THR A 46 -1.270 3.459 -1.279 1.00 0.00 O ATOM 688 CB THR A 46 -1.169 4.416 -4.469 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.911 4.974 -5.535 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.065 3.581 -5.070 1.00 0.00 C ATOM 0 H THR A 46 -2.770 5.335 -2.540 1.00 0.00 H new ATOM 0 HA THR A 46 -2.542 2.835 -4.111 1.00 0.00 H new ATOM 0 HB THR A 46 -0.726 5.198 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.310 5.478 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.541 4.201 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.561 3.178 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.499 2.760 -5.640 1.00 0.00 H new ATOM 698 N VAL A 47 -0.558 1.896 -2.725 1.00 0.00 N ATOM 699 CA VAL A 47 0.235 1.185 -1.726 1.00 0.00 C ATOM 700 C VAL A 47 1.609 0.777 -2.235 1.00 0.00 C ATOM 701 O VAL A 47 1.730 -0.114 -3.076 1.00 0.00 O ATOM 702 CB VAL A 47 -0.466 -0.096 -1.239 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.529 -0.979 -0.491 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.665 0.239 -0.365 1.00 0.00 C ATOM 0 H VAL A 47 -0.528 1.486 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 47 0.346 1.898 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.835 -0.645 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.027 -1.884 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.349 -1.249 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.923 -0.436 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.143 -0.683 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.334 0.809 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.378 0.832 -0.938 1.00 0.00 H new ATOM 714 N SER A 48 2.645 1.397 -1.688 1.00 0.00 N ATOM 715 CA SER A 48 4.010 1.047 -2.062 1.00 0.00 C ATOM 716 C SER A 48 4.535 -0.059 -1.154 1.00 0.00 C ATOM 717 O SER A 48 4.691 0.138 0.054 1.00 0.00 O ATOM 718 CB SER A 48 4.954 2.252 -1.984 1.00 0.00 C ATOM 719 OG SER A 48 5.767 2.332 -3.142 1.00 0.00 O ATOM 0 H SER A 48 2.570 2.138 -0.991 1.00 0.00 H new ATOM 0 HA SER A 48 3.982 0.703 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.373 3.168 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.583 2.170 -1.098 1.00 0.00 H new ATOM 0 HG SER A 48 5.312 1.896 -3.892 1.00 0.00 H new ATOM 725 N VAL A 49 4.819 -1.213 -1.743 1.00 0.00 N ATOM 726 CA VAL A 49 5.352 -2.342 -0.997 1.00 0.00 C ATOM 727 C VAL A 49 6.789 -2.588 -1.436 1.00 0.00 C ATOM 728 O VAL A 49 7.057 -2.776 -2.622 1.00 0.00 O ATOM 729 CB VAL A 49 4.508 -3.611 -1.204 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.044 -3.335 -0.881 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.661 -4.121 -2.624 1.00 0.00 C ATOM 0 H VAL A 49 4.688 -1.391 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 49 5.320 -2.103 0.066 1.00 0.00 H new ATOM 0 HB VAL A 49 4.866 -4.384 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.460 -4.243 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.954 -3.015 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.669 -2.549 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.058 -5.019 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.327 -3.355 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.708 -4.356 -2.815 1.00 0.00 H new ATOM 741 N PHE A 50 7.719 -2.520 -0.493 1.00 0.00 N ATOM 742 CA PHE A 50 9.137 -2.668 -0.820 1.00 0.00 C ATOM 743 C PHE A 50 9.757 -3.956 -0.290 1.00 0.00 C ATOM 744 O PHE A 50 9.566 -4.331 0.869 1.00 0.00 O ATOM 745 CB PHE A 50 9.894 -1.459 -0.287 1.00 0.00 C ATOM 746 CG PHE A 50 11.361 -1.663 -0.111 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.851 -2.539 0.842 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.253 -0.955 -0.895 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.209 -2.706 1.006 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.611 -1.115 -0.735 1.00 0.00 C ATOM 751 CZ PHE A 50 14.090 -1.991 0.216 1.00 0.00 C ATOM 0 H PHE A 50 7.524 -2.365 0.496 1.00 0.00 H new ATOM 0 HA PHE A 50 9.214 -2.727 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.738 -0.622 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.464 -1.174 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.164 -3.096 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.880 -0.269 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.584 -3.394 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.299 -0.556 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.155 -2.119 0.344 1.00 0.00 H new ATOM 761 N THR A 51 10.524 -4.612 -1.164 1.00 0.00 N ATOM 762 CA THR A 51 11.213 -5.851 -0.828 1.00 0.00 C ATOM 763 C THR A 51 12.722 -5.669 -0.881 1.00 0.00 C ATOM 764 O THR A 51 13.250 -5.054 -1.805 1.00 0.00 O ATOM 765 CB THR A 51 10.853 -6.972 -1.798 1.00 0.00 C ATOM 766 OG1 THR A 51 9.470 -7.270 -1.750 1.00 0.00 O ATOM 767 CG2 THR A 51 11.620 -8.244 -1.516 1.00 0.00 C ATOM 0 H THR A 51 10.682 -4.297 -2.121 1.00 0.00 H new ATOM 0 HA THR A 51 10.896 -6.114 0.181 1.00 0.00 H new ATOM 0 HB THR A 51 11.123 -6.605 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.268 -7.990 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.328 -9.011 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.689 -8.052 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.396 -8.587 -0.506 1.00 0.00 H new ATOM 775 N LYS A 52 13.408 -6.248 0.089 1.00 0.00 N ATOM 776 CA LYS A 52 14.861 -6.199 0.137 1.00 0.00 C ATOM 777 C LYS A 52 15.420 -7.290 -0.759 1.00 0.00 C ATOM 778 O LYS A 52 14.698 -8.208 -1.151 1.00 0.00 O ATOM 779 CB LYS A 52 15.371 -6.399 1.565 1.00 0.00 C ATOM 780 CG LYS A 52 14.685 -7.542 2.289 1.00 0.00 C ATOM 781 CD LYS A 52 13.211 -7.246 2.476 1.00 0.00 C ATOM 782 CE LYS A 52 12.991 -5.760 2.706 1.00 0.00 C ATOM 783 NZ LYS A 52 13.663 -5.294 3.948 1.00 0.00 N ATOM 0 H LYS A 52 12.980 -6.761 0.859 1.00 0.00 H new ATOM 0 HA LYS A 52 15.191 -5.219 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.444 -6.587 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.222 -5.478 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.807 -8.465 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.156 -7.700 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.655 -7.570 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.825 -7.812 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.372 -5.199 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.922 -5.555 2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.579 -4.260 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.212 -5.737 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.668 -5.558 3.919 1.00 0.00 H new ATOM 797 N ALA A 53 16.695 -7.197 -1.089 1.00 0.00 N ATOM 798 CA ALA A 53 17.314 -8.192 -1.944 1.00 0.00 C ATOM 799 C ALA A 53 18.722 -7.766 -2.354 1.00 0.00 C ATOM 800 O ALA A 53 19.002 -6.578 -2.502 1.00 0.00 O ATOM 801 CB ALA A 53 16.435 -8.431 -3.164 1.00 0.00 C ATOM 0 H ALA A 53 17.317 -6.450 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 53 17.409 -9.125 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.900 -9.179 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.456 -8.787 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.319 -7.499 -3.717 1.00 0.00 H new ATOM 807 N ILE A 54 19.605 -8.745 -2.523 1.00 0.00 N ATOM 808 CA ILE A 54 20.986 -8.471 -2.908 1.00 0.00 C ATOM 809 C ILE A 54 21.409 -7.072 -2.474 1.00 0.00 C ATOM 810 O ILE A 54 21.854 -6.870 -1.344 1.00 0.00 O ATOM 811 CB ILE A 54 21.188 -8.606 -4.428 1.00 0.00 C ATOM 812 CG1 ILE A 54 21.131 -10.076 -4.845 1.00 0.00 C ATOM 813 CG2 ILE A 54 22.513 -7.983 -4.842 1.00 0.00 C ATOM 814 CD1 ILE A 54 22.488 -10.667 -5.163 1.00 0.00 C ATOM 0 H ILE A 54 19.390 -9.734 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 54 21.606 -9.211 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 54 20.383 -8.074 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.670 -10.655 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.488 -10.173 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.643 -8.086 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.517 -6.926 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.330 -8.490 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 54 22.371 -11.712 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.943 -10.113 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 54 23.128 -10.603 -4.283 1.00 0.00 H new ATOM 826 N ILE A 55 21.268 -6.108 -3.378 1.00 0.00 N ATOM 827 CA ILE A 55 21.638 -4.728 -3.088 1.00 0.00 C ATOM 828 C ILE A 55 20.505 -3.769 -3.441 1.00 0.00 C ATOM 829 O ILE A 55 19.435 -3.808 -2.834 1.00 0.00 O ATOM 830 CB ILE A 55 22.909 -4.315 -3.856 1.00 0.00 C ATOM 831 CG1 ILE A 55 22.834 -4.795 -5.307 1.00 0.00 C ATOM 832 CG2 ILE A 55 24.147 -4.873 -3.170 1.00 0.00 C ATOM 833 CD1 ILE A 55 23.293 -3.760 -6.311 1.00 0.00 C ATOM 0 H ILE A 55 20.900 -6.257 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 55 21.836 -4.670 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 55 22.978 -3.227 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.444 -5.691 -5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.807 -5.079 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.036 -4.573 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.205 -4.486 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.088 -5.961 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 55 23.213 -4.169 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 55 22.667 -2.871 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.330 -3.493 -6.110 1.00 0.00 H new ATOM 845 N SER A 56 20.746 -2.909 -4.426 1.00 0.00 N ATOM 846 CA SER A 56 19.744 -1.940 -4.855 1.00 0.00 C ATOM 847 C SER A 56 19.207 -2.290 -6.240 1.00 0.00 C ATOM 848 O SER A 56 18.649 -1.439 -6.933 1.00 0.00 O ATOM 849 CB SER A 56 20.338 -0.530 -4.869 1.00 0.00 C ATOM 850 OG SER A 56 21.071 -0.296 -6.059 1.00 0.00 O ATOM 0 H SER A 56 21.625 -2.864 -4.941 1.00 0.00 H new ATOM 0 HA SER A 56 18.918 -1.972 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.538 0.205 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.990 -0.398 -4.005 1.00 0.00 H new ATOM 0 HG SER A 56 21.438 0.612 -6.044 1.00 0.00 H new ATOM 856 N GLU A 57 19.381 -3.546 -6.636 1.00 0.00 N ATOM 857 CA GLU A 57 18.914 -4.007 -7.939 1.00 0.00 C ATOM 858 C GLU A 57 18.143 -5.316 -7.810 1.00 0.00 C ATOM 859 O GLU A 57 17.576 -5.810 -8.785 1.00 0.00 O ATOM 860 CB GLU A 57 20.098 -4.192 -8.890 1.00 0.00 C ATOM 861 CG GLU A 57 20.568 -2.899 -9.537 1.00 0.00 C ATOM 862 CD GLU A 57 22.023 -2.954 -9.959 1.00 0.00 C ATOM 863 OE1 GLU A 57 22.669 -3.996 -9.726 1.00 0.00 O ATOM 864 OE2 GLU A 57 22.516 -1.955 -10.523 1.00 0.00 O ATOM 0 H GLU A 57 19.841 -4.263 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 57 18.243 -3.250 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.928 -4.636 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.818 -4.899 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.949 -2.687 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.427 -2.075 -8.838 1.00 0.00 H new ATOM 871 N ASN A 58 18.130 -5.876 -6.605 1.00 0.00 N ATOM 872 CA ASN A 58 17.430 -7.132 -6.359 1.00 0.00 C ATOM 873 C ASN A 58 16.130 -6.902 -5.593 1.00 0.00 C ATOM 874 O ASN A 58 15.106 -7.513 -5.901 1.00 0.00 O ATOM 875 CB ASN A 58 18.327 -8.100 -5.586 1.00 0.00 C ATOM 876 CG ASN A 58 17.663 -9.444 -5.358 1.00 0.00 C ATOM 877 OD1 ASN A 58 18.268 -10.267 -4.509 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 16.618 -9.739 -5.937 1.00 0.00 N flip ATOM 0 H ASN A 58 18.594 -5.482 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 58 17.182 -7.569 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.258 -8.246 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.589 -7.659 -4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.187 -9.076 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.183 -10.647 -5.773 1.00 0.00 H new ATOM 885 N PRO A 59 16.145 -6.013 -4.586 1.00 0.00 N ATOM 886 CA PRO A 59 14.953 -5.711 -3.792 1.00 0.00 C ATOM 887 C PRO A 59 13.792 -5.318 -4.692 1.00 0.00 C ATOM 888 O PRO A 59 14.004 -4.941 -5.845 1.00 0.00 O ATOM 889 CB PRO A 59 15.387 -4.544 -2.905 1.00 0.00 C ATOM 890 CG PRO A 59 16.875 -4.635 -2.847 1.00 0.00 C ATOM 891 CD PRO A 59 17.314 -5.228 -4.159 1.00 0.00 C ATOM 0 HA PRO A 59 14.603 -6.565 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.066 -3.590 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.948 -4.620 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.319 -3.651 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.194 -5.259 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.566 -4.455 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.198 -5.855 -4.041 1.00 0.00 H new ATOM 899 N CYS A 60 12.565 -5.433 -4.196 1.00 0.00 N ATOM 900 CA CYS A 60 11.414 -5.105 -5.033 1.00 0.00 C ATOM 901 C CYS A 60 10.379 -4.223 -4.341 1.00 0.00 C ATOM 902 O CYS A 60 9.858 -4.565 -3.280 1.00 0.00 O ATOM 903 CB CYS A 60 10.742 -6.390 -5.518 1.00 0.00 C ATOM 904 SG CYS A 60 11.622 -7.223 -6.860 1.00 0.00 S ATOM 0 H CYS A 60 12.343 -5.741 -3.249 1.00 0.00 H new ATOM 0 HA CYS A 60 11.804 -4.529 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.648 -7.078 -4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.731 -6.155 -5.852 1.00 0.00 H new ATOM 0 HG CYS A 60 12.882 -7.322 -6.557 1.00 0.00 H new ATOM 910 N ILE A 61 10.045 -3.111 -4.995 1.00 0.00 N ATOM 911 CA ILE A 61 9.024 -2.196 -4.498 1.00 0.00 C ATOM 912 C ILE A 61 7.830 -2.247 -5.434 1.00 0.00 C ATOM 913 O ILE A 61 7.954 -1.957 -6.624 1.00 0.00 O ATOM 914 CB ILE A 61 9.512 -0.737 -4.404 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.716 -0.636 -3.466 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.376 0.171 -3.929 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.854 -1.557 -3.845 1.00 0.00 C ATOM 0 H ILE A 61 10.471 -2.823 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 61 8.765 -2.517 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 61 9.824 -0.407 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.077 0.392 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.395 -0.866 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.734 1.199 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.548 0.117 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.036 -0.155 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.674 -1.433 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.509 -2.591 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.201 -1.312 -4.849 1.00 0.00 H new ATOM 929 N LYS A 62 6.682 -2.634 -4.909 1.00 0.00 N ATOM 930 CA LYS A 62 5.487 -2.736 -5.729 1.00 0.00 C ATOM 931 C LYS A 62 4.440 -1.725 -5.300 1.00 0.00 C ATOM 932 O LYS A 62 4.154 -1.571 -4.112 1.00 0.00 O ATOM 933 CB LYS A 62 4.917 -4.152 -5.667 1.00 0.00 C ATOM 934 CG LYS A 62 5.861 -5.205 -6.217 1.00 0.00 C ATOM 935 CD LYS A 62 5.107 -6.298 -6.959 1.00 0.00 C ATOM 936 CE LYS A 62 4.089 -5.714 -7.926 1.00 0.00 C ATOM 937 NZ LYS A 62 2.695 -6.086 -7.557 1.00 0.00 N ATOM 0 H LYS A 62 6.551 -2.881 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 62 5.766 -2.515 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.677 -4.394 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.982 -4.184 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.579 -4.736 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.432 -5.646 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.814 -6.922 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.600 -6.944 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.183 -4.628 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.304 -6.066 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.052 -5.305 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.414 -6.940 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.645 -6.273 -6.535 1.00 0.00 H new ATOM 951 N HIS A 63 3.877 -1.033 -6.280 1.00 0.00 N ATOM 952 CA HIS A 63 2.868 -0.030 -6.014 1.00 0.00 C ATOM 953 C HIS A 63 1.468 -0.611 -6.194 1.00 0.00 C ATOM 954 O HIS A 63 1.001 -0.799 -7.317 1.00 0.00 O ATOM 955 CB HIS A 63 3.064 1.155 -6.958 1.00 0.00 C ATOM 956 CG HIS A 63 4.440 1.741 -6.895 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.060 2.122 -5.725 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.326 2.001 -7.890 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.275 2.592 -6.039 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.486 2.540 -7.339 1.00 0.00 N ATOM 0 H HIS A 63 4.106 -1.151 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 63 2.971 0.304 -4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.860 0.834 -7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.336 1.929 -6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.158 1.819 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.989 2.965 -5.320 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.325 2.834 -7.838 1.00 0.00 H new ATOM 968 N TYR A 64 0.803 -0.888 -5.079 1.00 0.00 N ATOM 969 CA TYR A 64 -0.544 -1.442 -5.106 1.00 0.00 C ATOM 970 C TYR A 64 -1.580 -0.357 -4.882 1.00 0.00 C ATOM 971 O TYR A 64 -1.554 0.330 -3.861 1.00 0.00 O ATOM 972 CB TYR A 64 -0.693 -2.513 -4.036 1.00 0.00 C ATOM 973 CG TYR A 64 0.127 -3.732 -4.335 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.478 -3.754 -4.047 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.443 -4.848 -4.924 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.246 -4.859 -4.335 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.315 -5.961 -5.215 1.00 0.00 C ATOM 978 CZ TYR A 64 1.662 -5.963 -4.920 1.00 0.00 C ATOM 979 OH TYR A 64 2.425 -7.070 -5.210 1.00 0.00 O ATOM 0 H TYR A 64 1.177 -0.737 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.706 -1.885 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.394 -2.104 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.742 -2.795 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.938 -2.891 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.497 -4.846 -5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.301 -4.862 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.143 -6.826 -5.671 1.00 0.00 H new ATOM 0 HH TYR A 64 1.860 -7.759 -5.618 1.00 0.00 H new ATOM 989 N HIS A 65 -2.503 -0.209 -5.821 1.00 0.00 N ATOM 990 CA HIS A 65 -3.543 0.791 -5.673 1.00 0.00 C ATOM 991 C HIS A 65 -4.792 0.169 -5.099 1.00 0.00 C ATOM 992 O HIS A 65 -5.127 -0.977 -5.398 1.00 0.00 O ATOM 993 CB HIS A 65 -3.873 1.491 -6.985 1.00 0.00 C ATOM 994 CG HIS A 65 -4.018 2.960 -6.813 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.920 3.589 -5.601 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.249 3.928 -7.722 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.087 4.896 -5.805 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.292 5.160 -7.079 1.00 0.00 N ATOM 0 H HIS A 65 -2.552 -0.759 -6.678 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.158 1.546 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.087 1.287 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.797 1.081 -7.392 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.750 3.138 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.380 3.771 -8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.058 5.643 -5.025 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.481 0.932 -4.275 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.700 0.447 -3.663 1.00 0.00 C ATOM 1008 C ILE A 66 -7.888 0.803 -4.538 1.00 0.00 C ATOM 1009 O ILE A 66 -8.317 1.949 -4.577 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.905 1.042 -2.253 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.588 1.581 -1.689 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.485 -0.001 -1.312 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.363 0.844 -2.183 1.00 0.00 C ATOM 0 H ILE A 66 -5.220 1.883 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.617 -0.635 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.609 1.870 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.496 2.635 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.620 1.525 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.622 0.437 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.447 -0.342 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.802 -0.848 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.470 1.284 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.430 -0.206 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.305 0.922 -3.269 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.422 -0.188 -5.235 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.561 0.027 -6.101 1.00 0.00 C ATOM 1027 C LYS A 67 -10.778 0.365 -5.288 1.00 0.00 C ATOM 1028 O LYS A 67 -10.915 -0.095 -4.153 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.851 -1.203 -6.940 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.705 -0.887 -8.148 1.00 0.00 C ATOM 1031 CD LYS A 67 -12.102 -0.441 -7.782 1.00 0.00 C ATOM 1032 CE LYS A 67 -12.361 0.952 -8.327 1.00 0.00 C ATOM 1033 NZ LYS A 67 -13.353 0.942 -9.437 1.00 0.00 N ATOM 0 H LYS A 67 -8.081 -1.149 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.319 0.857 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.911 -1.646 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.356 -1.948 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.221 -0.105 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.766 -1.770 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.834 -1.141 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.222 -0.445 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.723 1.594 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.424 1.382 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.201 1.772 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.237 0.074 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.315 0.973 -9.043 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.658 1.167 -5.875 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.873 1.571 -5.200 1.00 0.00 C ATOM 1049 C GLU A 68 -14.126 1.034 -5.898 1.00 0.00 C ATOM 1050 O GLU A 68 -14.243 1.074 -7.119 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.945 3.100 -5.103 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.313 3.671 -3.845 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.224 4.649 -3.131 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.453 4.424 -3.132 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.710 5.640 -2.572 1.00 0.00 O ATOM 0 H GLU A 68 -11.548 1.547 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.843 1.143 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.451 3.532 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.990 3.407 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.058 2.856 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.381 4.172 -4.106 1.00 0.00 H new ATOM 1062 N THR A 69 -15.069 0.536 -5.103 1.00 0.00 N ATOM 1063 CA THR A 69 -16.312 -0.004 -5.640 1.00 0.00 C ATOM 1064 C THR A 69 -17.502 0.406 -4.779 1.00 0.00 C ATOM 1065 O THR A 69 -17.344 1.096 -3.773 1.00 0.00 O ATOM 1066 CB THR A 69 -16.233 -1.529 -5.729 1.00 0.00 C ATOM 1067 OG1 THR A 69 -17.111 -2.132 -4.794 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.844 -2.072 -5.471 1.00 0.00 C ATOM 0 H THR A 69 -14.995 0.496 -4.086 1.00 0.00 H new ATOM 0 HA THR A 69 -16.454 0.405 -6.640 1.00 0.00 H new ATOM 0 HB THR A 69 -16.517 -1.774 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.589 -2.616 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.858 -3.159 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.151 -1.664 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.521 -1.785 -4.470 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.694 -0.025 -5.182 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.911 0.297 -4.446 1.00 0.00 C ATOM 1078 C ASN A 70 -20.276 -0.830 -3.483 1.00 0.00 C ATOM 1079 O ASN A 70 -21.416 -1.294 -3.457 1.00 0.00 O ATOM 1080 CB ASN A 70 -21.068 0.548 -5.416 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.697 1.525 -6.514 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -20.913 2.730 -6.387 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.138 1.009 -7.603 1.00 0.00 N ATOM 0 H ASN A 70 -18.842 -0.597 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.728 1.203 -3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.376 -0.397 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.925 0.934 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.870 1.618 -8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.977 0.004 -7.666 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.298 -1.264 -2.695 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.511 -2.336 -1.730 1.00 0.00 C ATOM 1092 C ASP A 71 -20.166 -3.544 -2.394 1.00 0.00 C ATOM 1093 O ASP A 71 -20.882 -3.409 -3.386 1.00 0.00 O ATOM 1094 CB ASP A 71 -20.371 -1.845 -0.565 1.00 0.00 C ATOM 1095 CG ASP A 71 -21.537 -2.771 -0.276 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -22.583 -2.636 -0.946 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -21.404 -3.631 0.619 1.00 0.00 O ATOM 0 H ASP A 71 -18.349 -0.889 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.538 -2.641 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.752 -1.756 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -20.750 -0.848 -0.791 1.00 0.00 H new ATOM 1102 N SER A 72 -19.909 -4.725 -1.840 1.00 0.00 N ATOM 1103 CA SER A 72 -20.466 -5.959 -2.378 1.00 0.00 C ATOM 1104 C SER A 72 -19.836 -6.297 -3.728 1.00 0.00 C ATOM 1105 O SER A 72 -20.530 -6.403 -4.738 1.00 0.00 O ATOM 1106 CB SER A 72 -21.984 -5.839 -2.528 1.00 0.00 C ATOM 1107 OG SER A 72 -22.517 -4.921 -1.589 1.00 0.00 O ATOM 0 H SER A 72 -19.318 -4.852 -1.018 1.00 0.00 H new ATOM 0 HA SER A 72 -20.240 -6.764 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.228 -5.513 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.445 -6.817 -2.388 1.00 0.00 H new ATOM 0 HG SER A 72 -22.638 -4.048 -2.018 1.00 0.00 H new ATOM 1113 N PRO A 73 -18.505 -6.467 -3.758 1.00 0.00 N ATOM 1114 CA PRO A 73 -17.658 -6.345 -2.568 1.00 0.00 C ATOM 1115 C PRO A 73 -17.475 -4.894 -2.131 1.00 0.00 C ATOM 1116 O PRO A 73 -17.904 -3.971 -2.820 1.00 0.00 O ATOM 1117 CB PRO A 73 -16.325 -6.938 -3.023 1.00 0.00 C ATOM 1118 CG PRO A 73 -16.294 -6.705 -4.495 1.00 0.00 C ATOM 1119 CD PRO A 73 -17.721 -6.796 -4.964 1.00 0.00 C ATOM 0 HA PRO A 73 -18.093 -6.848 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.485 -6.452 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.263 -8.001 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.870 -5.728 -4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.672 -7.448 -4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.922 -6.097 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.958 -7.793 -5.336 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.846 -4.705 -0.974 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.616 -3.372 -0.432 1.00 0.00 C ATOM 1129 C LYS A 74 -16.174 -2.388 -1.512 1.00 0.00 C ATOM 1130 O LYS A 74 -16.270 -2.670 -2.705 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.589 -3.430 0.698 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.212 -3.727 2.051 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.330 -5.223 2.292 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.005 -5.818 2.732 1.00 0.00 C ATOM 1135 NZ LYS A 74 -14.700 -7.088 2.019 1.00 0.00 N ATOM 0 H LYS A 74 -16.486 -5.462 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.563 -3.009 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.848 -4.196 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.059 -2.479 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.607 -3.277 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.200 -3.269 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.087 -5.412 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.667 -5.715 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.206 -5.099 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.029 -6.002 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.343 -7.790 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.565 -7.450 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.978 -6.913 1.291 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.715 -1.216 -1.079 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.289 -0.169 -2.003 1.00 0.00 C ATOM 1151 C ARG A 75 -13.849 -0.334 -2.465 1.00 0.00 C ATOM 1152 O ARG A 75 -13.588 -0.503 -3.656 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.444 1.204 -1.353 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.859 1.753 -1.416 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.365 2.149 -0.038 1.00 0.00 C ATOM 1156 NE ARG A 75 -18.158 1.089 0.578 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.953 1.279 1.626 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.058 2.484 2.171 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.644 0.266 2.130 1.00 0.00 N ATOM 0 H ARG A 75 -15.629 -0.968 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.931 -0.254 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.135 1.139 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.769 1.906 -1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.885 2.619 -2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.522 1.003 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.518 2.388 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.969 3.053 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.099 0.151 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.528 3.266 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.668 2.629 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.566 -0.662 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.253 0.414 2.934 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.911 -0.219 -1.534 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.500 -0.287 -1.875 1.00 0.00 C ATOM 1175 C TYR A 76 -10.968 -1.709 -1.986 1.00 0.00 C ATOM 1176 O TYR A 76 -11.414 -2.625 -1.297 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.683 0.520 -0.875 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.338 1.829 -0.532 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.512 2.210 -1.161 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.787 2.680 0.408 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.125 3.404 -0.864 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.392 3.884 0.717 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.563 4.242 0.078 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.171 5.439 0.379 1.00 0.00 O ATOM 0 H TYR A 76 -13.102 -0.079 -0.542 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.397 0.147 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.545 -0.065 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.691 0.709 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.954 1.557 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.871 2.400 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.040 3.685 -1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.952 4.540 1.453 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.249 5.980 -0.434 1.00 0.00 H new ATOM 1194 N TYR A 77 -10.002 -1.857 -2.881 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.355 -3.145 -3.150 1.00 0.00 C ATOM 1196 C TYR A 77 -8.347 -2.990 -4.286 1.00 0.00 C ATOM 1197 O TYR A 77 -8.638 -2.340 -5.285 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.389 -4.179 -3.569 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.755 -4.021 -5.017 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.745 -3.126 -5.390 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -10.080 -4.718 -6.012 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -12.067 -2.932 -6.714 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.392 -4.523 -7.346 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.388 -3.630 -7.691 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.702 -3.434 -9.016 1.00 0.00 O ATOM 0 H TYR A 77 -9.640 -1.089 -3.446 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.853 -3.472 -2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.996 -5.181 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.281 -4.076 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.273 -2.571 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.304 -5.419 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.847 -2.237 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.860 -5.066 -8.113 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.886 -3.485 -9.557 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.173 -3.592 -4.150 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.160 -3.494 -5.197 1.00 0.00 C ATOM 1217 C VAL A 78 -6.348 -4.573 -6.259 1.00 0.00 C ATOM 1218 O VAL A 78 -6.856 -4.311 -7.350 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.734 -3.604 -4.623 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.700 -3.340 -5.706 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.551 -2.650 -3.452 1.00 0.00 C ATOM 0 H VAL A 78 -6.899 -4.146 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.286 -2.512 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.588 -4.620 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.699 -3.422 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.816 -4.071 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.842 -2.337 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.538 -2.744 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.718 -1.626 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.266 -2.896 -2.667 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.915 -5.779 -5.930 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.000 -6.921 -6.835 1.00 0.00 C ATOM 1233 C ALA A 79 -7.420 -7.461 -6.960 1.00 0.00 C ATOM 1234 O ALA A 79 -7.655 -8.622 -6.629 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.098 -8.030 -6.313 1.00 0.00 C ATOM 0 H ALA A 79 -5.493 -5.997 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.685 -6.584 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.153 -8.889 -6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.070 -7.671 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.424 -8.325 -5.316 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.375 -6.650 -7.424 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.741 -7.153 -7.529 1.00 0.00 C ATOM 1243 C GLU A 80 -9.894 -8.202 -6.454 1.00 0.00 C ATOM 1244 O GLU A 80 -10.545 -9.231 -6.629 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.997 -7.757 -8.912 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.408 -6.942 -10.051 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.563 -7.623 -11.397 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.466 -8.476 -11.530 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.783 -7.303 -12.318 1.00 0.00 O ATOM 0 H GLU A 80 -8.236 -5.684 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.463 -6.347 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.579 -8.763 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.072 -7.854 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.893 -5.967 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.350 -6.765 -9.857 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.207 -7.928 -5.354 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.148 -8.820 -4.221 1.00 0.00 C ATOM 1258 C LYS A 81 -9.724 -8.185 -2.969 1.00 0.00 C ATOM 1259 O LYS A 81 -10.130 -7.024 -2.972 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.685 -9.183 -3.992 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.985 -8.326 -2.948 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.969 -7.402 -3.581 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.569 -7.978 -3.468 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.594 -9.426 -3.121 1.00 0.00 N ATOM 0 H LYS A 81 -8.672 -7.069 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.746 -9.706 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.625 -10.228 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.148 -9.095 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.724 -7.738 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.490 -8.969 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.218 -7.245 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.006 -6.427 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.041 -7.839 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.011 -7.431 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.641 -9.827 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.903 -9.541 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.256 -9.923 -3.751 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.744 -8.964 -1.897 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.256 -8.496 -0.622 1.00 0.00 C ATOM 1280 C TYR A 82 -10.620 -7.029 -0.707 1.00 0.00 C ATOM 1281 O TYR A 82 -9.783 -6.158 -0.474 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.224 -8.689 0.491 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.268 -9.839 0.272 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.617 -10.021 -0.941 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.009 -10.736 1.297 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.736 -11.068 -1.127 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.129 -11.782 1.122 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.494 -11.946 -0.091 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.616 -12.990 -0.269 1.00 0.00 O ATOM 0 H TYR A 82 -9.409 -9.927 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.144 -9.083 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.648 -7.770 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.750 -8.846 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.803 -9.333 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.505 -10.613 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.240 -11.199 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.937 -12.471 1.932 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.558 -13.513 0.558 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.866 -6.756 -1.036 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.324 -5.387 -1.137 1.00 0.00 C ATOM 1301 C VAL A 83 -12.741 -4.876 0.228 1.00 0.00 C ATOM 1302 O VAL A 83 -13.279 -5.623 1.042 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.492 -5.261 -2.120 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.638 -3.823 -2.595 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.289 -6.212 -3.293 1.00 0.00 C ATOM 0 H VAL A 83 -12.576 -7.460 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.498 -4.784 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.416 -5.537 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.473 -3.753 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.825 -3.174 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.721 -3.510 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.124 -6.116 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.360 -5.964 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.238 -7.237 -2.926 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.474 -3.606 0.480 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.807 -3.001 1.758 1.00 0.00 C ATOM 1317 C PHE A 84 -13.305 -1.574 1.576 1.00 0.00 C ATOM 1318 O PHE A 84 -13.449 -1.093 0.451 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.589 -3.026 2.686 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.856 -4.341 2.679 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.888 -4.606 1.724 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.140 -5.314 3.625 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.216 -5.815 1.711 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.470 -6.526 3.619 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.506 -6.778 2.659 1.00 0.00 C ATOM 0 H PHE A 84 -12.027 -2.974 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.610 -3.582 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.901 -2.234 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.912 -2.805 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.655 -3.859 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.893 -5.124 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.464 -6.007 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.700 -7.274 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.983 -7.723 2.650 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.571 -0.904 2.688 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.060 0.467 2.653 1.00 0.00 C ATOM 1337 C ASP A 85 -12.982 1.442 3.103 1.00 0.00 C ATOM 1338 O ASP A 85 -13.260 2.614 3.352 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.298 0.611 3.539 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.532 -0.012 2.916 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.406 -0.625 1.835 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.623 0.112 3.509 1.00 0.00 O ATOM 0 H ASP A 85 -13.456 -1.288 3.626 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.329 0.704 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.106 0.143 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.485 1.668 3.728 1.00 0.00 H new ATOM 1347 N SER A 86 -11.749 0.956 3.208 1.00 0.00 N ATOM 1348 CA SER A 86 -10.643 1.802 3.632 1.00 0.00 C ATOM 1349 C SER A 86 -9.295 1.099 3.478 1.00 0.00 C ATOM 1350 O SER A 86 -9.160 -0.115 3.714 1.00 0.00 O ATOM 1351 CB SER A 86 -10.838 2.239 5.084 1.00 0.00 C ATOM 1352 OG SER A 86 -10.497 3.604 5.256 1.00 0.00 O ATOM 0 H SER A 86 -11.494 -0.011 3.007 1.00 0.00 H new ATOM 0 HA SER A 86 -10.637 2.679 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.875 2.080 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.223 1.622 5.739 1.00 0.00 H new ATOM 0 HG SER A 86 -10.632 3.859 6.192 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.293 1.880 3.097 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.955 1.355 2.926 1.00 0.00 C ATOM 1360 C ILE A 87 -6.506 0.638 4.190 1.00 0.00 C ATOM 1361 O ILE A 87 -5.955 -0.454 4.126 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.938 2.464 2.601 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.152 3.014 1.187 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.524 1.924 2.746 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.514 2.713 0.604 1.00 0.00 C ATOM 0 H ILE A 87 -8.386 2.877 2.902 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.991 0.660 2.087 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.086 3.283 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.007 4.094 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.388 2.600 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.808 2.713 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.369 1.581 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.380 1.091 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.583 3.137 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.657 1.634 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.286 3.151 1.237 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.738 1.242 5.368 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.343 0.642 6.642 1.00 0.00 C ATOM 1379 C PRO A 88 -6.867 -0.778 6.786 1.00 0.00 C ATOM 1380 O PRO A 88 -6.105 -1.692 7.096 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.962 1.557 7.703 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.899 2.461 6.965 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.389 2.543 5.555 1.00 0.00 C ATOM 0 HA PRO A 88 -5.259 0.564 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.492 0.977 8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.193 2.130 8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.916 2.068 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.928 3.449 7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.198 2.697 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.688 3.368 5.426 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.156 -0.980 6.518 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.706 -2.324 6.584 1.00 0.00 C ATOM 1393 C LEU A 89 -8.111 -3.102 5.432 1.00 0.00 C ATOM 1394 O LEU A 89 -7.587 -4.210 5.605 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.237 -2.340 6.498 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.930 -0.988 6.632 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.309 -0.459 5.260 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.163 -1.111 7.514 1.00 0.00 C ATOM 0 H LEU A 89 -8.820 -0.250 6.260 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.454 -2.769 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.522 -2.779 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.618 -3.000 7.278 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.241 -0.284 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.803 0.507 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.410 -0.342 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.986 -1.161 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.647 -0.138 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.858 -1.824 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.869 -1.459 8.504 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.149 -2.482 4.252 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.570 -3.090 3.073 1.00 0.00 C ATOM 1412 C LEU A 90 -6.117 -3.449 3.365 1.00 0.00 C ATOM 1413 O LEU A 90 -5.637 -4.516 2.986 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.664 -2.134 1.887 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.369 -2.761 0.525 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.420 -2.347 -0.491 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.979 -2.368 0.048 1.00 0.00 C ATOM 0 H LEU A 90 -8.573 -1.567 4.096 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.119 -3.996 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.666 -1.706 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.969 -1.310 2.048 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.402 -3.845 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.194 -2.803 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.402 -2.679 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.419 -1.262 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.785 -2.823 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.918 -1.283 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.236 -2.716 0.766 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.438 -2.551 4.080 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.049 -2.760 4.473 1.00 0.00 C ATOM 1431 C ILE A 91 -3.993 -3.744 5.628 1.00 0.00 C ATOM 1432 O ILE A 91 -3.223 -4.704 5.609 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.369 -1.444 4.911 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.421 -0.416 3.785 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.925 -1.698 5.318 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.846 -0.933 2.492 1.00 0.00 C ATOM 0 H ILE A 91 -5.833 -1.667 4.399 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.517 -3.149 3.605 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.910 -1.050 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.456 -0.115 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.874 0.476 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.463 -0.759 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.900 -2.402 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.377 -2.115 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.911 -0.157 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.802 -1.208 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.409 -1.809 2.168 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.837 -3.502 6.627 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.907 -4.373 7.786 1.00 0.00 C ATOM 1450 C GLN A 92 -5.122 -5.806 7.331 1.00 0.00 C ATOM 1451 O GLN A 92 -4.569 -6.742 7.909 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.040 -3.938 8.717 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.693 -2.731 9.573 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.209 -2.637 9.874 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.409 -2.409 8.839 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.789 -2.768 11.023 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.479 -2.710 6.653 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.969 -4.307 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.922 -3.708 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.304 -4.771 9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.015 -1.823 9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.248 -2.783 10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.441 -2.942 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.789 -2.702 11.211 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.917 -5.970 6.275 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.180 -7.292 5.736 1.00 0.00 C ATOM 1467 C TYR A 93 -4.912 -7.869 5.116 1.00 0.00 C ATOM 1468 O TYR A 93 -4.573 -9.029 5.348 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.299 -7.235 4.700 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.848 -7.599 3.310 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.389 -8.876 3.019 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.883 -6.665 2.288 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.977 -9.211 1.744 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.475 -6.990 1.012 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.023 -8.265 0.743 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.615 -8.594 -0.530 1.00 0.00 O ATOM 0 H TYR A 93 -6.384 -5.208 5.783 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.499 -7.942 6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.099 -7.911 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.720 -6.230 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.353 -9.619 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.236 -5.665 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.621 -10.208 1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.509 -6.250 0.226 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.190 -7.816 -0.948 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.192 -7.048 4.347 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.948 -7.495 3.734 1.00 0.00 C ATOM 1488 C HIS A 94 -1.882 -7.660 4.807 1.00 0.00 C ATOM 1489 O HIS A 94 -1.189 -8.674 4.868 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.437 -6.493 2.697 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.363 -6.223 1.554 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.115 -5.136 1.267 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.551 -7.102 0.509 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.734 -5.374 0.066 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.377 -6.566 -0.370 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.448 -6.083 4.138 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.149 -8.443 3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.225 -5.550 3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.492 -6.860 2.297 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.205 -4.295 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.094 -8.077 0.423 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.405 -4.695 -0.440 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.763 -6.638 5.652 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.786 -6.638 6.730 1.00 0.00 C ATOM 1506 C GLN A 95 -0.847 -7.946 7.513 1.00 0.00 C ATOM 1507 O GLN A 95 0.183 -8.516 7.873 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.043 -5.459 7.672 1.00 0.00 C ATOM 1509 CG GLN A 95 0.017 -4.373 7.595 1.00 0.00 C ATOM 1510 CD GLN A 95 1.397 -4.926 7.309 1.00 0.00 C ATOM 1511 OE1 GLN A 95 2.145 -4.240 6.454 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 1.789 -5.960 7.851 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.337 -5.796 5.607 1.00 0.00 H new ATOM 0 HA GLN A 95 0.207 -6.540 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.014 -5.023 7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.098 -5.829 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.254 -3.661 6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.038 -3.823 8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.181 -6.456 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.722 -6.320 7.648 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.064 -8.412 7.772 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.271 -9.649 8.513 1.00 0.00 C ATOM 1523 C TYR A 96 -2.688 -10.782 7.580 1.00 0.00 C ATOM 1524 O TYR A 96 -1.883 -11.650 7.241 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.336 -9.445 9.592 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.828 -8.716 10.815 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.578 -7.350 10.778 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.596 -9.394 12.005 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.113 -6.680 11.893 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.131 -8.730 13.125 1.00 0.00 C ATOM 1531 CZ TYR A 96 -1.891 -7.374 13.063 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.428 -6.710 14.176 1.00 0.00 O ATOM 0 H TYR A 96 -2.924 -7.949 7.478 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.328 -9.923 8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.170 -8.886 9.167 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.725 -10.417 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.750 -6.803 9.863 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.782 -10.457 12.056 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.924 -5.618 11.848 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.957 -9.271 14.043 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.326 -7.344 14.916 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.953 -10.768 7.171 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.480 -11.795 6.279 1.00 0.00 C ATOM 1544 C ASN A 97 -3.559 -12.005 5.082 1.00 0.00 C ATOM 1545 O ASN A 97 -2.385 -11.638 5.116 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.881 -11.413 5.797 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.615 -10.533 6.790 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.392 -9.659 6.407 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.372 -10.761 8.075 1.00 0.00 N ATOM 0 H ASN A 97 -4.632 -10.057 7.443 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.537 -12.729 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.804 -10.893 4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.461 -12.319 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.837 -10.201 8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.720 -11.496 8.348 1.00 0.00 H new ATOM 1556 N GLY A 98 -4.102 -12.599 4.023 1.00 0.00 N ATOM 1557 CA GLY A 98 -3.317 -12.849 2.829 1.00 0.00 C ATOM 1558 C GLY A 98 -3.007 -11.580 2.060 1.00 0.00 C ATOM 1559 O GLY A 98 -2.598 -10.577 2.645 1.00 0.00 O ATOM 0 H GLY A 98 -5.072 -12.911 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.384 -13.338 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.857 -13.539 2.181 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.200 -11.624 0.746 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.932 -10.464 -0.082 1.00 0.00 C ATOM 1565 C GLY A 99 -1.761 -10.683 -1.021 1.00 0.00 C ATOM 1566 O GLY A 99 -0.645 -10.243 -0.743 1.00 0.00 O ATOM 0 H GLY A 99 -3.537 -12.443 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.821 -10.223 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.727 -9.605 0.556 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.014 -11.367 -2.134 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.961 -11.631 -3.097 1.00 0.00 C ATOM 1572 C GLY A 100 0.169 -10.626 -3.005 1.00 0.00 C ATOM 1573 O GLY A 100 1.339 -10.980 -3.153 1.00 0.00 O ATOM 0 H GLY A 100 -2.929 -11.742 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.566 -12.634 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.379 -11.613 -4.103 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.183 -9.370 -2.757 1.00 0.00 N ATOM 1578 CA LEU A 101 0.802 -8.303 -2.638 1.00 0.00 C ATOM 1579 C LEU A 101 2.184 -8.866 -2.310 1.00 0.00 C ATOM 1580 O LEU A 101 2.306 -9.854 -1.586 1.00 0.00 O ATOM 1581 CB LEU A 101 0.370 -7.313 -1.556 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.514 -6.163 -2.042 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.942 -6.642 -2.258 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.474 -5.014 -1.047 1.00 0.00 C ATOM 0 H LEU A 101 -1.149 -9.065 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 101 0.864 -7.787 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.166 -7.859 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.263 -6.893 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.129 -5.805 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.556 -5.811 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.951 -7.435 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.343 -7.024 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.107 -4.201 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.837 -5.358 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.551 -4.657 -0.944 1.00 0.00 H new ATOM 1596 N VAL A 102 3.223 -8.230 -2.848 1.00 0.00 N ATOM 1597 CA VAL A 102 4.594 -8.670 -2.611 1.00 0.00 C ATOM 1598 C VAL A 102 4.679 -9.566 -1.383 1.00 0.00 C ATOM 1599 O VAL A 102 5.279 -10.640 -1.424 1.00 0.00 O ATOM 1600 CB VAL A 102 5.551 -7.478 -2.421 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.535 -6.581 -3.649 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.191 -6.691 -1.167 1.00 0.00 C ATOM 0 H VAL A 102 3.141 -7.410 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 102 4.896 -9.231 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 102 6.562 -7.865 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.217 -5.744 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.851 -7.153 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.526 -6.202 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.880 -5.854 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.172 -6.313 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.263 -7.342 -0.296 1.00 0.00 H new ATOM 1612 N THR A 103 4.073 -9.116 -0.293 1.00 0.00 N ATOM 1613 CA THR A 103 4.077 -9.872 0.951 1.00 0.00 C ATOM 1614 C THR A 103 2.908 -9.451 1.833 1.00 0.00 C ATOM 1615 O THR A 103 3.052 -9.297 3.046 1.00 0.00 O ATOM 1616 CB THR A 103 5.403 -9.672 1.691 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.180 -9.479 3.076 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.204 -8.491 1.184 1.00 0.00 C ATOM 0 H THR A 103 3.571 -8.229 -0.245 1.00 0.00 H new ATOM 0 HA THR A 103 3.968 -10.930 0.714 1.00 0.00 H new ATOM 0 HB THR A 103 5.975 -10.581 1.506 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.380 -9.975 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.130 -8.409 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.437 -8.636 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.622 -7.578 1.305 1.00 0.00 H new ATOM 1626 N ARG A 104 1.749 -9.262 1.210 1.00 0.00 N ATOM 1627 CA ARG A 104 0.551 -8.855 1.931 1.00 0.00 C ATOM 1628 C ARG A 104 0.897 -7.868 3.039 1.00 0.00 C ATOM 1629 O ARG A 104 0.807 -8.194 4.222 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.160 -10.075 2.519 1.00 0.00 C ATOM 1631 CG ARG A 104 0.765 -11.019 3.270 1.00 0.00 C ATOM 1632 CD ARG A 104 0.849 -10.660 4.745 1.00 0.00 C ATOM 1633 NE ARG A 104 1.240 -11.803 5.565 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.485 -11.725 6.869 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.379 -10.561 7.497 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.836 -12.809 7.547 1.00 0.00 N ATOM 0 H ARG A 104 1.615 -9.385 0.206 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.119 -8.364 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.945 -9.736 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.648 -10.623 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.406 -12.043 3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.761 -10.982 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.569 -9.853 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.117 -10.285 5.083 1.00 0.00 H new ATOM 0 HE ARG A 104 1.330 -12.712 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.109 -9.725 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.567 -10.502 8.498 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.919 -13.706 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.023 -12.746 8.548 1.00 0.00 H new ATOM 1650 N LEU A 105 1.295 -6.661 2.651 1.00 0.00 N ATOM 1651 CA LEU A 105 1.652 -5.635 3.619 1.00 0.00 C ATOM 1652 C LEU A 105 2.544 -6.221 4.703 1.00 0.00 C ATOM 1653 O LEU A 105 2.078 -6.571 5.786 1.00 0.00 O ATOM 1654 CB LEU A 105 0.394 -5.033 4.238 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.488 -4.262 3.265 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.061 -2.870 3.101 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.561 -4.959 1.916 1.00 0.00 C ATOM 0 H LEU A 105 1.378 -6.372 1.676 1.00 0.00 H new ATOM 0 HA LEU A 105 2.200 -4.846 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.195 -5.835 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.688 -4.365 5.048 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.500 -4.217 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.565 -2.311 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.069 -2.366 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.078 -2.923 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.198 -4.384 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.440 -5.035 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.977 -5.958 2.045 1.00 0.00 H new ATOM 1669 N ARG A 106 3.827 -6.339 4.396 1.00 0.00 N ATOM 1670 CA ARG A 106 4.787 -6.897 5.338 1.00 0.00 C ATOM 1671 C ARG A 106 5.105 -5.911 6.457 1.00 0.00 C ATOM 1672 O ARG A 106 5.215 -6.296 7.622 1.00 0.00 O ATOM 1673 CB ARG A 106 6.072 -7.287 4.610 1.00 0.00 C ATOM 1674 CG ARG A 106 6.966 -8.220 5.411 1.00 0.00 C ATOM 1675 CD ARG A 106 6.153 -9.132 6.315 1.00 0.00 C ATOM 1676 NE ARG A 106 7.000 -9.888 7.233 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.382 -9.437 8.423 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.994 -8.238 8.835 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.152 -10.184 9.202 1.00 0.00 N ATOM 0 H ARG A 106 4.228 -6.056 3.502 1.00 0.00 H new ATOM 0 HA ARG A 106 4.339 -7.785 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.814 -7.767 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.630 -6.383 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.567 -8.823 4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.659 -7.633 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.441 -8.536 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.572 -9.824 5.705 1.00 0.00 H new ATOM 0 HE ARG A 106 7.316 -10.814 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.402 -7.661 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.288 -7.893 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.452 -11.107 8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.444 -9.836 10.115 1.00 0.00 H new ATOM 1693 N TYR A 107 5.258 -4.641 6.100 1.00 0.00 N ATOM 1694 CA TYR A 107 5.573 -3.609 7.083 1.00 0.00 C ATOM 1695 C TYR A 107 5.399 -2.209 6.504 1.00 0.00 C ATOM 1696 O TYR A 107 6.227 -1.747 5.720 1.00 0.00 O ATOM 1697 CB TYR A 107 7.006 -3.772 7.584 1.00 0.00 C ATOM 1698 CG TYR A 107 7.389 -2.732 8.607 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.850 -2.767 9.885 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.278 -1.711 8.295 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.182 -1.815 10.824 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.619 -0.754 9.233 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.068 -0.811 10.496 1.00 0.00 C ATOM 1704 OH TYR A 107 8.402 0.139 11.433 1.00 0.00 O ATOM 0 H TYR A 107 5.170 -4.301 5.142 1.00 0.00 H new ATOM 0 HA TYR A 107 4.876 -3.728 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.123 -4.764 8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.691 -3.713 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.159 -3.554 10.148 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.709 -1.664 7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.750 -1.855 11.813 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.313 0.033 8.978 1.00 0.00 H new ATOM 0 HH TYR A 107 9.038 0.774 11.043 1.00 0.00 H new ATOM 1714 N PRO A 108 4.322 -1.511 6.891 1.00 0.00 N ATOM 1715 CA PRO A 108 4.050 -0.157 6.416 1.00 0.00 C ATOM 1716 C PRO A 108 5.245 0.776 6.602 1.00 0.00 C ATOM 1717 O PRO A 108 5.997 0.654 7.569 1.00 0.00 O ATOM 1718 CB PRO A 108 2.872 0.314 7.277 1.00 0.00 C ATOM 1719 CG PRO A 108 2.724 -0.701 8.362 1.00 0.00 C ATOM 1720 CD PRO A 108 3.288 -1.979 7.819 1.00 0.00 C ATOM 0 HA PRO A 108 3.838 -0.147 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.063 1.304 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.960 0.387 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.257 -0.391 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.677 -0.824 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.706 -2.604 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.528 -2.573 7.311 1.00 0.00 H new ATOM 1728 N VAL A 109 5.405 1.710 5.671 1.00 0.00 N ATOM 1729 CA VAL A 109 6.489 2.671 5.719 1.00 0.00 C ATOM 1730 C VAL A 109 5.931 4.079 5.748 1.00 0.00 C ATOM 1731 O VAL A 109 5.071 4.425 4.940 1.00 0.00 O ATOM 1732 CB VAL A 109 7.411 2.543 4.497 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.577 1.618 4.795 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.623 2.061 3.288 1.00 0.00 C ATOM 0 H VAL A 109 4.787 1.818 4.867 1.00 0.00 H new ATOM 0 HA VAL A 109 7.065 2.467 6.622 1.00 0.00 H new ATOM 0 HB VAL A 109 7.820 3.527 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.216 1.543 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.154 2.017 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.200 0.629 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.290 1.975 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.183 1.087 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.831 2.775 3.062 1.00 0.00 H new ATOM 1744 N CYS A 110 6.411 4.892 6.670 1.00 0.00 N ATOM 1745 CA CYS A 110 5.938 6.259 6.769 1.00 0.00 C ATOM 1746 C CYS A 110 7.105 7.219 6.936 1.00 0.00 C ATOM 1747 O CYS A 110 7.501 7.558 8.052 1.00 0.00 O ATOM 1748 CB CYS A 110 4.943 6.392 7.921 1.00 0.00 C ATOM 1749 SG CYS A 110 5.183 7.859 8.952 1.00 0.00 S ATOM 0 H CYS A 110 7.121 4.633 7.355 1.00 0.00 H new ATOM 0 HA CYS A 110 5.423 6.520 5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.933 6.412 7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.014 5.505 8.551 1.00 0.00 H new ATOM 0 HG CYS A 110 6.455 8.080 9.103 1.00 0.00 H new ATOM 1755 N GLY A 111 7.650 7.649 5.806 1.00 0.00 N ATOM 1756 CA GLY A 111 8.772 8.567 5.821 1.00 0.00 C ATOM 1757 C GLY A 111 9.620 8.429 7.070 1.00 0.00 C ATOM 1758 O GLY A 111 9.644 7.369 7.697 1.00 0.00 O ATOM 0 H GLY A 111 7.333 7.377 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.393 8.390 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.401 9.590 5.749 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.321 9.494 7.440 1.00 0.00 N TER 1765 NH2 A 112