USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 HIS : no HE2:sc= 0.932 K(o=0.96,f=-6.2!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0246 K(o=0.96,f=-2.3) USER MOD Set 2.1: A 108 HIS : no HD1:sc=-0.00484 K(o=-0.027,f=-3.5) USER MOD Set 2.2: A 110 HIS : no HE2:sc= -0.0217 K(o=-0.027,f=-3) USER MOD Set 3.1: A 49 TYR OH : rot 63:sc= 1.28 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.291 K(o=1.6,f=-2.6!) USER MOD Set 4.1: A 24 TYR OH : rot -153:sc= 0.388 USER MOD Set 4.2: A 52 CYS SG : rot 78:sc= -2.38 USER MOD Set 4.3: A 62 CYS SG : rot -158:sc= -0.415 USER MOD Set 5.1: A 54 ASN : amide:sc= 1.01 K(o=2.1,f=-12!) USER MOD Set 5.2: A 56 THR OG1 : rot 164:sc= 1.08 USER MOD Set 6.1: A 39 THR OG1 : rot 55:sc= 0.815 USER MOD Set 6.2: A 83 HIS : no HE2:sc= 0.828 K(o=1.6,f=-8.6!) USER MOD Set 7.1: A 11 GLN : amide:sc= -0.135 K(o=0.79,f=-0.76) USER MOD Set 7.2: A 19 TYR OH : rot 88:sc= 0.93 USER MOD Set 8.1: A 8 LYS NZ :NH3+ 178:sc= 1.82 (180deg=0.909) USER MOD Set 8.2: A 9 ASN : amide:sc= 0.533 K(o=2.4,f=-6.4!) USER MOD Single : A 1 MET CE :methyl -168:sc=-0.00794 (180deg=-0.208) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0447 (180deg=-0.202) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 168:sc= -0.0336 (180deg=-0.285) USER MOD Single : A 5 GLN : amide:sc= 0.514 K(o=0.51,f=-0.31) USER MOD Single : A 6 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-2.8!) USER MOD Single : A 17 SER OG : rot 79:sc= 0.652 USER MOD Single : A 20 MET CE :methyl 178:sc= 0 (180deg=-0.0173) USER MOD Single : A 21 SER OG : rot -18:sc= 0.454 USER MOD Single : A 22 GLN : amide:sc= 0.0684 K(o=0.068,f=-5.9!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.844 X(o=-0.84,f=-1.1) USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.987 USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.235 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 144:sc= 0.921 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -63:sc= 0.872 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00899 X(o=-0.009,f=-0.06) USER MOD Single : A 66 THR OG1 : rot -108:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 145:sc= 0.992 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -133:sc= -0.395 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0.942 (180deg=0.908) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= -0.072 (180deg=-0.072) USER MOD Single : A 107 HIS : no HE2:sc= 0.951 K(o=0.95,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.669 -2.387 0.243 1.00 0.00 N ATOM 2 CA MET A 1 -1.226 -3.807 0.369 1.00 0.00 C ATOM 3 C MET A 1 -2.222 -4.774 -0.301 1.00 0.00 C ATOM 4 O MET A 1 -1.839 -5.847 -0.769 1.00 0.00 O ATOM 5 CB MET A 1 -1.050 -4.180 1.839 1.00 0.00 C ATOM 6 CG MET A 1 0.065 -3.426 2.551 1.00 0.00 C ATOM 7 SD MET A 1 1.674 -3.666 1.773 1.00 0.00 S ATOM 8 CE MET A 1 1.978 -5.390 2.149 1.00 0.00 C ATOM 0 H1 MET A 1 -0.891 -1.755 0.518 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.940 -2.194 -0.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.486 -2.222 0.865 1.00 0.00 H new ATOM 0 HA MET A 1 -0.269 -3.899 -0.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.988 -3.996 2.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.851 -5.249 1.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.172 -2.362 2.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.115 -3.755 3.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.017 -5.634 1.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.782 -5.572 3.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.321 -6.016 1.545 1.00 0.00 H new ATOM 20 N SER A 2 -3.494 -4.380 -0.353 1.00 0.00 N ATOM 21 CA SER A 2 -4.565 -5.217 -0.928 1.00 0.00 C ATOM 22 C SER A 2 -4.387 -5.464 -2.438 1.00 0.00 C ATOM 23 O SER A 2 -4.907 -6.445 -2.978 1.00 0.00 O ATOM 24 CB SER A 2 -5.913 -4.575 -0.665 1.00 0.00 C ATOM 25 OG SER A 2 -6.058 -3.359 -1.346 1.00 0.00 O ATOM 0 H SER A 2 -3.817 -3.479 -0.002 1.00 0.00 H new ATOM 0 HA SER A 2 -4.509 -6.190 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.706 -5.258 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.032 -4.407 0.405 1.00 0.00 H new ATOM 0 HG SER A 2 -6.940 -2.978 -1.152 1.00 0.00 H new ATOM 31 N TRP A 3 -3.671 -4.571 -3.122 1.00 0.00 N ATOM 32 CA TRP A 3 -3.341 -4.773 -4.540 1.00 0.00 C ATOM 33 C TRP A 3 -2.630 -6.115 -4.792 1.00 0.00 C ATOM 34 O TRP A 3 -2.779 -6.706 -5.864 1.00 0.00 O ATOM 35 CB TRP A 3 -2.468 -3.622 -5.044 1.00 0.00 C ATOM 36 CG TRP A 3 -1.108 -3.583 -4.415 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.759 -2.932 -3.269 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.082 -4.221 -4.894 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.575 -3.123 -3.005 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.113 -3.914 -3.989 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.373 -5.025 -6.003 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.409 -4.374 -4.155 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.673 -5.489 -6.169 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.661 -5.173 -5.271 1.00 0.00 C ATOM 0 H TRP A 3 -3.309 -3.705 -2.723 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.282 -4.794 -5.089 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.357 -3.707 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.977 -2.678 -4.849 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.434 -2.351 -2.658 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.083 -2.740 -2.208 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.398 -5.280 -6.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.190 -4.125 -3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.910 -6.110 -7.021 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.659 -5.552 -5.432 1.00 0.00 H new ATOM 55 N MET A 4 -1.877 -6.602 -3.808 1.00 0.00 N ATOM 56 CA MET A 4 -1.195 -7.895 -3.945 1.00 0.00 C ATOM 57 C MET A 4 -2.229 -9.011 -4.174 1.00 0.00 C ATOM 58 O MET A 4 -2.095 -9.830 -5.091 1.00 0.00 O ATOM 59 CB MET A 4 -0.352 -8.190 -2.706 1.00 0.00 C ATOM 60 CG MET A 4 0.867 -7.292 -2.546 1.00 0.00 C ATOM 61 SD MET A 4 1.727 -7.558 -0.983 1.00 0.00 S ATOM 62 CE MET A 4 2.343 -9.222 -1.214 1.00 0.00 C ATOM 0 H MET A 4 -1.722 -6.131 -2.917 1.00 0.00 H new ATOM 0 HA MET A 4 -0.529 -7.852 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.981 -8.089 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.021 -9.228 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.557 -7.472 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.556 -6.249 -2.612 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.069 -9.453 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.514 -9.928 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.822 -9.301 -2.190 1.00 0.00 H new ATOM 72 N GLN A 5 -3.256 -9.046 -3.317 1.00 0.00 N ATOM 73 CA GLN A 5 -4.350 -10.017 -3.445 1.00 0.00 C ATOM 74 C GLN A 5 -5.145 -9.792 -4.739 1.00 0.00 C ATOM 75 O GLN A 5 -5.542 -10.745 -5.401 1.00 0.00 O ATOM 76 CB GLN A 5 -5.307 -9.914 -2.243 1.00 0.00 C ATOM 77 CG GLN A 5 -4.749 -10.488 -0.950 1.00 0.00 C ATOM 78 CD GLN A 5 -5.758 -10.487 0.193 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.640 -9.639 0.263 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.652 -11.454 1.083 1.00 0.00 N ATOM 0 H GLN A 5 -3.353 -8.411 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.902 -11.010 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.559 -8.866 -2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.235 -10.432 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.413 -11.510 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.873 -9.912 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.907 -12.146 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.315 -11.510 1.856 1.00 0.00 H new ATOM 89 N ASN A 6 -5.347 -8.519 -5.089 1.00 0.00 N ATOM 90 CA ASN A 6 -6.107 -8.130 -6.291 1.00 0.00 C ATOM 91 C ASN A 6 -5.476 -8.672 -7.585 1.00 0.00 C ATOM 92 O ASN A 6 -6.173 -8.922 -8.568 1.00 0.00 O ATOM 93 CB ASN A 6 -6.252 -6.621 -6.381 1.00 0.00 C ATOM 94 CG ASN A 6 -7.227 -6.047 -5.390 1.00 0.00 C ATOM 95 OD1 ASN A 6 -8.094 -6.753 -4.861 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.142 -4.756 -5.199 1.00 0.00 N ATOM 0 H ASN A 6 -4.992 -7.728 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.095 -8.579 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.276 -6.161 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.572 -6.355 -7.388 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.811 -4.286 -4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.407 -4.220 -5.660 1.00 0.00 H new ATOM 103 N LEU A 7 -4.158 -8.847 -7.581 1.00 0.00 N ATOM 104 CA LEU A 7 -3.450 -9.373 -8.754 1.00 0.00 C ATOM 105 C LEU A 7 -3.225 -10.890 -8.632 1.00 0.00 C ATOM 106 O LEU A 7 -3.608 -11.660 -9.511 1.00 0.00 O ATOM 107 CB LEU A 7 -2.112 -8.644 -8.934 1.00 0.00 C ATOM 108 CG LEU A 7 -2.220 -7.142 -9.227 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.831 -6.524 -9.300 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.973 -6.933 -10.533 1.00 0.00 C ATOM 0 H LEU A 7 -3.557 -8.635 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.069 -9.197 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.518 -8.780 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.565 -9.118 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.769 -6.652 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.918 -5.458 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.319 -6.667 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.261 -7.004 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.050 -5.866 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.436 -7.424 -11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.973 -7.359 -10.449 1.00 0.00 H new ATOM 122 N LYS A 8 -2.620 -11.303 -7.517 1.00 0.00 N ATOM 123 CA LYS A 8 -2.142 -12.680 -7.323 1.00 0.00 C ATOM 124 C LYS A 8 -3.286 -13.709 -7.086 1.00 0.00 C ATOM 125 O LYS A 8 -3.125 -14.892 -7.390 1.00 0.00 O ATOM 126 CB LYS A 8 -1.159 -12.719 -6.152 1.00 0.00 C ATOM 127 CG LYS A 8 -1.815 -12.827 -4.782 1.00 0.00 C ATOM 128 CD LYS A 8 -0.785 -12.737 -3.666 1.00 0.00 C ATOM 129 CE LYS A 8 -1.446 -12.474 -2.322 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.227 -13.648 -1.845 1.00 0.00 N ATOM 0 H LYS A 8 -2.445 -10.693 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.650 -12.975 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.486 -13.566 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.546 -11.818 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.551 -12.031 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.353 -13.772 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.216 -13.665 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.076 -11.939 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.683 -12.223 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.105 -11.610 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.633 -13.439 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.994 -13.852 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.601 -14.475 -1.773 1.00 0.00 H new ATOM 144 N ASN A 9 -4.430 -13.273 -6.540 1.00 0.00 N ATOM 145 CA ASN A 9 -5.498 -14.207 -6.133 1.00 0.00 C ATOM 146 C ASN A 9 -6.484 -14.471 -7.279 1.00 0.00 C ATOM 147 O ASN A 9 -7.495 -15.150 -7.097 1.00 0.00 O ATOM 148 CB ASN A 9 -6.243 -13.701 -4.912 1.00 0.00 C ATOM 149 CG ASN A 9 -5.440 -13.766 -3.643 1.00 0.00 C ATOM 150 OD1 ASN A 9 -4.422 -14.463 -3.563 1.00 0.00 O ATOM 151 ND2 ASN A 9 -5.937 -13.108 -2.626 1.00 0.00 N ATOM 0 H ASN A 9 -4.642 -12.290 -6.370 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.012 -15.148 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.548 -12.669 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.154 -14.286 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.481 -13.157 -1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.780 -12.546 -2.745 1.00 0.00 H new ATOM 158 N TYR A 10 -6.190 -13.918 -8.453 1.00 0.00 N ATOM 159 CA TYR A 10 -7.041 -14.101 -9.633 1.00 0.00 C ATOM 160 C TYR A 10 -6.249 -13.945 -10.938 1.00 0.00 C ATOM 161 O TYR A 10 -5.453 -13.017 -11.093 1.00 0.00 O ATOM 162 CB TYR A 10 -8.204 -13.108 -9.607 1.00 0.00 C ATOM 163 CG TYR A 10 -9.268 -13.383 -10.646 1.00 0.00 C ATOM 164 CD1 TYR A 10 -9.189 -12.822 -11.912 1.00 0.00 C ATOM 165 CD2 TYR A 10 -10.351 -14.203 -10.359 1.00 0.00 C ATOM 166 CE1 TYR A 10 -10.158 -13.069 -12.865 1.00 0.00 C ATOM 167 CE2 TYR A 10 -11.325 -14.458 -11.304 1.00 0.00 C ATOM 168 CZ TYR A 10 -11.224 -13.888 -12.557 1.00 0.00 C ATOM 169 OH TYR A 10 -12.193 -14.137 -13.503 1.00 0.00 O ATOM 0 H TYR A 10 -5.367 -13.337 -8.616 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.431 -15.118 -9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.662 -13.126 -8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.813 -12.102 -9.759 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.355 -12.181 -12.157 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.433 -14.649 -9.379 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.081 -12.623 -13.846 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -12.160 -15.099 -11.064 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.873 -14.734 -13.126 1.00 0.00 H new ATOM 179 N GLN A 11 -6.487 -14.854 -11.877 1.00 0.00 N ATOM 180 CA GLN A 11 -5.821 -14.814 -13.179 1.00 0.00 C ATOM 181 C GLN A 11 -6.675 -14.050 -14.205 1.00 0.00 C ATOM 182 O GLN A 11 -7.492 -14.642 -14.913 1.00 0.00 O ATOM 183 CB GLN A 11 -5.542 -16.233 -13.682 1.00 0.00 C ATOM 184 CG GLN A 11 -4.787 -16.289 -14.998 1.00 0.00 C ATOM 185 CD GLN A 11 -3.412 -15.657 -14.905 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.698 -15.834 -13.913 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.033 -14.911 -15.936 1.00 0.00 N ATOM 0 H GLN A 11 -7.138 -15.631 -11.763 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.873 -14.290 -13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.970 -16.769 -12.925 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.490 -16.759 -13.797 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.685 -17.328 -15.311 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.366 -15.779 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.655 -14.792 -16.735 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.120 -14.457 -15.929 1.00 0.00 H new ATOM 196 N HIS A 12 -6.505 -12.730 -14.271 1.00 0.00 N ATOM 197 CA HIS A 12 -7.186 -11.924 -15.294 1.00 0.00 C ATOM 198 C HIS A 12 -6.221 -11.364 -16.355 1.00 0.00 C ATOM 199 O HIS A 12 -6.649 -11.004 -17.450 1.00 0.00 O ATOM 200 CB HIS A 12 -7.951 -10.771 -14.637 1.00 0.00 C ATOM 201 CG HIS A 12 -7.077 -9.833 -13.864 1.00 0.00 C ATOM 202 ND1 HIS A 12 -6.291 -10.247 -12.809 1.00 0.00 N ATOM 203 CD2 HIS A 12 -6.865 -8.501 -13.990 1.00 0.00 C ATOM 204 CE1 HIS A 12 -5.632 -9.211 -12.320 1.00 0.00 C ATOM 205 NE2 HIS A 12 -5.963 -8.141 -13.020 1.00 0.00 N ATOM 0 H HIS A 12 -5.909 -12.197 -13.638 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.880 -12.591 -15.806 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.478 -10.210 -15.409 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.708 -11.183 -13.969 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.320 -7.845 -14.717 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.941 -9.235 -11.490 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.606 -7.198 -12.865 1.00 0.00 H new ATOM 210 N LEU A 13 -4.929 -11.295 -16.049 1.00 0.00 N ATOM 211 CA LEU A 13 -3.949 -10.819 -17.031 1.00 0.00 C ATOM 212 C LEU A 13 -2.703 -11.726 -17.067 1.00 0.00 C ATOM 213 O LEU A 13 -2.405 -12.412 -16.091 1.00 0.00 O ATOM 214 CB LEU A 13 -3.549 -9.372 -16.717 1.00 0.00 C ATOM 215 CG LEU A 13 -4.672 -8.337 -16.865 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.222 -6.994 -16.306 1.00 0.00 C ATOM 217 CD2 LEU A 13 -5.055 -8.210 -18.332 1.00 0.00 C ATOM 0 H LEU A 13 -4.536 -11.557 -15.145 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.413 -10.854 -18.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.170 -9.330 -15.696 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.727 -9.089 -17.374 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.545 -8.665 -16.301 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.026 -6.266 -16.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.974 -7.104 -15.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.343 -6.649 -16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.853 -7.475 -18.437 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.187 -7.889 -18.908 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.400 -9.175 -18.703 1.00 0.00 H new ATOM 229 N ARG A 14 -1.996 -11.746 -18.198 1.00 0.00 N ATOM 230 CA ARG A 14 -0.675 -12.388 -18.275 1.00 0.00 C ATOM 231 C ARG A 14 0.438 -11.547 -17.624 1.00 0.00 C ATOM 232 O ARG A 14 1.616 -11.882 -17.758 1.00 0.00 O ATOM 233 CB ARG A 14 -0.315 -12.756 -19.706 1.00 0.00 C ATOM 234 CG ARG A 14 -1.177 -13.846 -20.323 1.00 0.00 C ATOM 235 CD ARG A 14 -0.832 -14.179 -21.728 1.00 0.00 C ATOM 236 NE ARG A 14 -1.712 -15.155 -22.351 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.567 -15.628 -23.603 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.603 -15.191 -24.385 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.433 -16.525 -24.037 1.00 0.00 N ATOM 0 H ARG A 14 -2.311 -11.327 -19.073 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.751 -13.309 -17.696 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.388 -11.862 -20.325 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.726 -13.078 -19.732 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.090 -14.748 -19.717 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.221 -13.534 -20.282 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.849 -13.264 -22.320 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.189 -14.559 -21.758 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.495 -15.506 -21.800 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.048 -14.483 -24.045 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.507 -15.560 -25.331 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.187 -16.842 -23.428 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.348 -16.901 -24.981 1.00 0.00 H new ATOM 253 N ASP A 15 0.084 -10.482 -16.905 1.00 0.00 N ATOM 254 CA ASP A 15 1.101 -9.611 -16.291 1.00 0.00 C ATOM 255 C ASP A 15 1.920 -10.334 -15.205 1.00 0.00 C ATOM 256 O ASP A 15 1.376 -10.771 -14.197 1.00 0.00 O ATOM 257 CB ASP A 15 0.439 -8.366 -15.694 1.00 0.00 C ATOM 258 CG ASP A 15 1.417 -7.307 -15.205 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.586 -7.600 -15.117 1.00 0.00 O ATOM 260 OD2 ASP A 15 1.018 -6.174 -15.074 1.00 0.00 O ATOM 0 H ASP A 15 -0.881 -10.200 -16.732 1.00 0.00 H new ATOM 0 HA ASP A 15 1.792 -9.322 -17.083 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.214 -7.921 -16.445 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.195 -8.670 -14.861 1.00 0.00 H new ATOM 265 N PRO A 16 3.262 -10.418 -15.373 1.00 0.00 N ATOM 266 CA PRO A 16 4.154 -11.033 -14.369 1.00 0.00 C ATOM 267 C PRO A 16 3.967 -10.433 -12.967 1.00 0.00 C ATOM 268 O PRO A 16 4.280 -11.071 -11.960 1.00 0.00 O ATOM 269 CB PRO A 16 5.560 -10.768 -14.918 1.00 0.00 C ATOM 270 CG PRO A 16 5.372 -10.672 -16.393 1.00 0.00 C ATOM 271 CD PRO A 16 4.042 -9.993 -16.582 1.00 0.00 C ATOM 0 HA PRO A 16 3.946 -12.094 -14.233 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.978 -9.848 -14.510 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.247 -11.573 -14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.175 -10.098 -16.855 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.379 -11.659 -16.855 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.147 -8.909 -16.632 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.557 -10.309 -17.505 1.00 0.00 H new ATOM 279 N SER A 17 3.452 -9.202 -12.911 1.00 0.00 N ATOM 280 CA SER A 17 3.202 -8.510 -11.638 1.00 0.00 C ATOM 281 C SER A 17 2.294 -9.329 -10.707 1.00 0.00 C ATOM 282 O SER A 17 2.421 -9.254 -9.487 1.00 0.00 O ATOM 283 CB SER A 17 2.588 -7.149 -11.904 1.00 0.00 C ATOM 284 OG SER A 17 3.424 -6.337 -12.682 1.00 0.00 O ATOM 0 H SER A 17 3.198 -8.659 -13.736 1.00 0.00 H new ATOM 0 HA SER A 17 4.160 -8.387 -11.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.632 -7.276 -12.412 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.382 -6.653 -10.956 1.00 0.00 H new ATOM 0 HG SER A 17 3.351 -6.599 -13.623 1.00 0.00 H new ATOM 290 N GLU A 18 1.384 -10.117 -11.284 1.00 0.00 N ATOM 291 CA GLU A 18 0.517 -11.003 -10.499 1.00 0.00 C ATOM 292 C GLU A 18 1.365 -12.013 -9.692 1.00 0.00 C ATOM 293 O GLU A 18 1.028 -12.376 -8.557 1.00 0.00 O ATOM 294 CB GLU A 18 -0.466 -11.737 -11.412 1.00 0.00 C ATOM 295 CG GLU A 18 -1.512 -10.841 -12.060 1.00 0.00 C ATOM 296 CD GLU A 18 -2.384 -11.617 -13.009 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.169 -12.797 -13.154 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.334 -11.057 -13.503 1.00 0.00 O ATOM 0 H GLU A 18 1.227 -10.161 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.054 -10.394 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.095 -12.245 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.974 -12.508 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.130 -10.382 -11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.018 -10.031 -12.596 1.00 0.00 H new ATOM 305 N TYR A 19 2.498 -12.423 -10.263 1.00 0.00 N ATOM 306 CA TYR A 19 3.345 -13.459 -9.658 1.00 0.00 C ATOM 307 C TYR A 19 4.518 -12.834 -8.890 1.00 0.00 C ATOM 308 O TYR A 19 5.107 -13.459 -8.011 1.00 0.00 O ATOM 309 CB TYR A 19 3.895 -14.397 -10.734 1.00 0.00 C ATOM 310 CG TYR A 19 2.834 -14.990 -11.644 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.128 -16.127 -11.276 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.560 -14.422 -12.881 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.185 -16.685 -12.118 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.614 -14.970 -13.724 1.00 0.00 C ATOM 315 CZ TYR A 19 0.931 -16.102 -13.341 1.00 0.00 C ATOM 316 OH TYR A 19 -0.004 -16.656 -14.186 1.00 0.00 O ATOM 0 H TYR A 19 2.853 -12.055 -11.145 1.00 0.00 H new ATOM 0 HA TYR A 19 2.726 -14.024 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.616 -13.851 -11.343 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.437 -15.209 -10.250 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.319 -16.583 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.096 -13.536 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.649 -17.574 -11.819 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.411 -14.512 -14.681 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.888 -16.286 -13.983 1.00 0.00 H new ATOM 326 N MET A 20 4.862 -11.598 -9.232 1.00 0.00 N ATOM 327 CA MET A 20 5.837 -10.827 -8.455 1.00 0.00 C ATOM 328 C MET A 20 5.177 -10.272 -7.180 1.00 0.00 C ATOM 329 O MET A 20 5.848 -9.949 -6.202 1.00 0.00 O ATOM 330 CB MET A 20 6.412 -9.691 -9.299 1.00 0.00 C ATOM 331 CG MET A 20 7.292 -10.149 -10.455 1.00 0.00 C ATOM 332 SD MET A 20 7.878 -8.777 -11.469 1.00 0.00 S ATOM 333 CE MET A 20 8.730 -9.660 -12.773 1.00 0.00 C ATOM 0 H MET A 20 4.483 -11.105 -10.041 1.00 0.00 H new ATOM 0 HA MET A 20 6.655 -11.486 -8.165 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.589 -9.098 -9.698 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.994 -9.034 -8.653 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.148 -10.695 -10.060 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.731 -10.844 -11.080 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.118 -8.948 -13.501 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.555 -10.230 -12.347 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.035 -10.340 -13.266 1.00 0.00 H new ATOM 343 N SER A 21 3.849 -10.162 -7.216 1.00 0.00 N ATOM 344 CA SER A 21 3.053 -9.845 -6.023 1.00 0.00 C ATOM 345 C SER A 21 2.732 -11.117 -5.228 1.00 0.00 C ATOM 346 O SER A 21 2.532 -11.064 -4.017 1.00 0.00 O ATOM 347 CB SER A 21 1.776 -9.130 -6.421 1.00 0.00 C ATOM 348 OG SER A 21 0.904 -9.965 -7.133 1.00 0.00 O ATOM 0 H SER A 21 3.296 -10.288 -8.063 1.00 0.00 H new ATOM 0 HA SER A 21 3.639 -9.185 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.274 -8.761 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.023 -8.260 -7.030 1.00 0.00 H new ATOM 0 HG SER A 21 1.400 -10.736 -7.481 1.00 0.00 H new ATOM 354 N GLN A 22 2.663 -12.259 -5.926 1.00 0.00 N ATOM 355 CA GLN A 22 2.614 -13.577 -5.268 1.00 0.00 C ATOM 356 C GLN A 22 3.809 -13.767 -4.315 1.00 0.00 C ATOM 357 O GLN A 22 3.643 -14.065 -3.130 1.00 0.00 O ATOM 358 CB GLN A 22 2.601 -14.698 -6.310 1.00 0.00 C ATOM 359 CG GLN A 22 2.629 -16.098 -5.720 1.00 0.00 C ATOM 360 CD GLN A 22 2.832 -17.167 -6.776 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.067 -16.864 -7.949 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.738 -18.427 -6.367 1.00 0.00 N ATOM 0 H GLN A 22 2.640 -12.299 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 22 1.695 -13.621 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.709 -14.594 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.461 -14.576 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.430 -16.163 -4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.694 -16.286 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.542 -18.632 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.862 -19.190 -7.033 1.00 0.00 H new ATOM 371 N VAL A 23 5.018 -13.596 -4.844 1.00 0.00 N ATOM 372 CA VAL A 23 6.239 -13.792 -4.061 1.00 0.00 C ATOM 373 C VAL A 23 7.363 -12.846 -4.523 1.00 0.00 C ATOM 374 O VAL A 23 7.557 -12.609 -5.714 1.00 0.00 O ATOM 375 CB VAL A 23 6.736 -15.248 -4.150 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.162 -15.578 -5.573 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.887 -15.478 -3.183 1.00 0.00 C ATOM 0 H VAL A 23 5.180 -13.322 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 23 5.986 -13.564 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 23 5.916 -15.910 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.510 -16.610 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.314 -15.451 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.968 -14.909 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.225 -16.511 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.710 -14.808 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.552 -15.280 -2.165 1.00 0.00 H new ATOM 387 N TYR A 24 8.104 -12.314 -3.555 1.00 0.00 N ATOM 388 CA TYR A 24 9.252 -11.440 -3.832 1.00 0.00 C ATOM 389 C TYR A 24 10.574 -12.233 -3.893 1.00 0.00 C ATOM 390 O TYR A 24 11.640 -11.699 -3.579 1.00 0.00 O ATOM 391 CB TYR A 24 9.348 -10.341 -2.772 1.00 0.00 C ATOM 392 CG TYR A 24 9.400 -10.861 -1.352 1.00 0.00 C ATOM 393 CD1 TYR A 24 10.605 -11.230 -0.772 1.00 0.00 C ATOM 394 CD2 TYR A 24 8.244 -10.981 -0.596 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.658 -11.707 0.524 1.00 0.00 C ATOM 396 CE2 TYR A 24 8.285 -11.456 0.700 1.00 0.00 C ATOM 397 CZ TYR A 24 9.494 -11.818 1.258 1.00 0.00 C ATOM 398 OH TYR A 24 9.540 -12.290 2.549 1.00 0.00 O ATOM 0 H TYR A 24 7.932 -12.472 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 24 9.091 -10.986 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.239 -9.743 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.490 -9.676 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.517 -11.143 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.295 -10.698 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.604 -11.991 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.375 -11.544 1.274 1.00 0.00 H new ATOM 0 HH TYR A 24 8.682 -12.707 2.776 1.00 0.00 H new ATOM 408 N GLY A 25 10.504 -13.499 -4.305 1.00 0.00 N ATOM 409 CA GLY A 25 11.654 -14.395 -4.192 1.00 0.00 C ATOM 410 C GLY A 25 12.520 -14.494 -5.447 1.00 0.00 C ATOM 411 O GLY A 25 12.580 -13.563 -6.253 1.00 0.00 O ATOM 0 H GLY A 25 9.672 -13.923 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.278 -14.059 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.295 -15.392 -3.937 1.00 0.00 H new ATOM 415 N ASP A 26 13.200 -15.633 -5.599 1.00 0.00 N ATOM 416 CA ASP A 26 14.080 -15.896 -6.746 1.00 0.00 C ATOM 417 C ASP A 26 13.325 -15.922 -8.094 1.00 0.00 C ATOM 418 O ASP A 26 12.138 -16.256 -8.152 1.00 0.00 O ATOM 419 CB ASP A 26 14.820 -17.219 -6.540 1.00 0.00 C ATOM 420 CG ASP A 26 15.902 -17.174 -5.470 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.755 -16.323 -5.550 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.780 -17.885 -4.500 1.00 0.00 O ATOM 0 H ASP A 26 13.157 -16.402 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 26 14.790 -15.070 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.096 -17.989 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.273 -17.519 -7.485 1.00 0.00 H new ATOM 427 N PRO A 27 14.027 -15.573 -9.199 1.00 0.00 N ATOM 428 CA PRO A 27 13.437 -15.496 -10.553 1.00 0.00 C ATOM 429 C PRO A 27 12.620 -16.735 -10.955 1.00 0.00 C ATOM 430 O PRO A 27 11.533 -16.606 -11.520 1.00 0.00 O ATOM 431 CB PRO A 27 14.656 -15.313 -11.463 1.00 0.00 C ATOM 432 CG PRO A 27 15.632 -14.556 -10.628 1.00 0.00 C ATOM 433 CD PRO A 27 15.465 -15.094 -9.232 1.00 0.00 C ATOM 0 HA PRO A 27 12.710 -14.687 -10.619 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.064 -16.273 -11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.397 -14.764 -12.368 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.651 -14.701 -10.986 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.432 -13.485 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.162 -15.907 -9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.648 -14.324 -8.482 1.00 0.00 H new ATOM 441 N LEU A 28 13.148 -17.922 -10.653 1.00 0.00 N ATOM 442 CA LEU A 28 12.529 -19.196 -11.063 1.00 0.00 C ATOM 443 C LEU A 28 11.113 -19.353 -10.476 1.00 0.00 C ATOM 444 O LEU A 28 10.230 -19.925 -11.116 1.00 0.00 O ATOM 445 CB LEU A 28 13.413 -20.374 -10.637 1.00 0.00 C ATOM 446 CG LEU A 28 14.736 -20.507 -11.402 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.578 -21.623 -10.800 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.449 -20.782 -12.872 1.00 0.00 C ATOM 0 H LEU A 28 14.011 -18.034 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 28 12.439 -19.189 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.634 -20.276 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.846 -21.297 -10.761 1.00 0.00 H new ATOM 0 HG LEU A 28 15.297 -19.576 -11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.515 -21.709 -11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.790 -21.396 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.033 -22.565 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.389 -20.876 -13.415 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.882 -21.708 -12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.870 -19.959 -13.290 1.00 0.00 H new ATOM 460 N ALA A 29 10.907 -18.817 -9.276 1.00 0.00 N ATOM 461 CA ALA A 29 9.624 -18.934 -8.578 1.00 0.00 C ATOM 462 C ALA A 29 8.453 -18.363 -9.405 1.00 0.00 C ATOM 463 O ALA A 29 7.588 -19.109 -9.867 1.00 0.00 O ATOM 464 CB ALA A 29 9.708 -18.246 -7.219 1.00 0.00 C ATOM 0 H ALA A 29 11.615 -18.294 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 29 9.422 -19.995 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.751 -18.337 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.487 -18.717 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.946 -17.192 -7.359 1.00 0.00 H new ATOM 470 N TYR A 30 8.445 -17.045 -9.612 1.00 0.00 N ATOM 471 CA TYR A 30 7.368 -16.398 -10.377 1.00 0.00 C ATOM 472 C TYR A 30 7.519 -16.620 -11.893 1.00 0.00 C ATOM 473 O TYR A 30 6.555 -16.480 -12.641 1.00 0.00 O ATOM 474 CB TYR A 30 7.332 -14.899 -10.072 1.00 0.00 C ATOM 475 CG TYR A 30 8.600 -14.166 -10.450 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.828 -13.764 -11.758 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.565 -13.876 -9.496 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.985 -13.094 -12.107 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.724 -13.207 -9.834 1.00 0.00 C ATOM 480 CZ TYR A 30 10.932 -12.817 -11.142 1.00 0.00 C ATOM 481 OH TYR A 30 12.084 -12.149 -11.484 1.00 0.00 O ATOM 0 H TYR A 30 9.162 -16.407 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 30 6.429 -16.858 -10.068 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.493 -14.450 -10.603 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.147 -14.759 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.089 -13.978 -12.516 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.406 -14.179 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.147 -12.789 -13.130 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.465 -12.990 -9.079 1.00 0.00 H new ATOM 0 HH TYR A 30 12.644 -12.033 -10.688 1.00 0.00 H new ATOM 491 N LEU A 31 8.727 -16.964 -12.343 1.00 0.00 N ATOM 492 CA LEU A 31 8.960 -17.284 -13.759 1.00 0.00 C ATOM 493 C LEU A 31 8.226 -18.573 -14.164 1.00 0.00 C ATOM 494 O LEU A 31 7.522 -18.614 -15.180 1.00 0.00 O ATOM 495 CB LEU A 31 10.464 -17.417 -14.031 1.00 0.00 C ATOM 496 CG LEU A 31 10.835 -17.784 -15.474 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.350 -16.702 -16.429 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.343 -17.961 -15.581 1.00 0.00 C ATOM 0 H LEU A 31 9.557 -17.029 -11.754 1.00 0.00 H new ATOM 0 HA LEU A 31 8.562 -16.468 -14.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.948 -16.474 -13.777 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.872 -18.176 -13.363 1.00 0.00 H new ATOM 0 HG LEU A 31 10.351 -18.722 -15.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.618 -16.972 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.267 -16.607 -16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.817 -15.752 -16.170 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.607 -18.222 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.839 -17.031 -15.304 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.664 -18.757 -14.910 1.00 0.00 H new ATOM 510 N GLN A 32 8.377 -19.622 -13.354 1.00 0.00 N ATOM 511 CA GLN A 32 7.749 -20.911 -13.647 1.00 0.00 C ATOM 512 C GLN A 32 6.245 -20.874 -13.353 1.00 0.00 C ATOM 513 O GLN A 32 5.469 -21.569 -14.004 1.00 0.00 O ATOM 514 CB GLN A 32 8.410 -22.025 -12.832 1.00 0.00 C ATOM 515 CG GLN A 32 9.879 -22.244 -13.152 1.00 0.00 C ATOM 516 CD GLN A 32 10.122 -22.462 -14.634 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.400 -23.216 -15.292 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.146 -21.803 -15.167 1.00 0.00 N ATOM 0 H GLN A 32 8.926 -19.605 -12.494 1.00 0.00 H new ATOM 0 HA GLN A 32 7.887 -21.114 -14.709 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.312 -21.791 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.870 -22.956 -13.005 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.454 -21.381 -12.815 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.244 -23.107 -12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.716 -21.190 -14.585 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.361 -21.910 -16.158 1.00 0.00 H new ATOM 527 N GLU A 33 5.834 -20.051 -12.389 1.00 0.00 N ATOM 528 CA GLU A 33 4.404 -19.810 -12.142 1.00 0.00 C ATOM 529 C GLU A 33 3.773 -19.003 -13.297 1.00 0.00 C ATOM 530 O GLU A 33 2.611 -19.207 -13.647 1.00 0.00 O ATOM 531 CB GLU A 33 4.208 -19.077 -10.813 1.00 0.00 C ATOM 532 CG GLU A 33 2.847 -19.301 -10.168 1.00 0.00 C ATOM 533 CD GLU A 33 2.792 -20.622 -9.453 1.00 0.00 C ATOM 534 OE1 GLU A 33 2.946 -21.632 -10.096 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.708 -20.618 -8.247 1.00 0.00 O ATOM 0 H GLU A 33 6.462 -19.541 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 33 3.902 -20.776 -12.087 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.984 -19.397 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.348 -18.008 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.639 -18.495 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.070 -19.266 -10.932 1.00 0.00 H new ATOM 542 N THR A 34 4.554 -18.105 -13.905 1.00 0.00 N ATOM 543 CA THR A 34 4.088 -17.329 -15.071 1.00 0.00 C ATOM 544 C THR A 34 3.937 -18.218 -16.314 1.00 0.00 C ATOM 545 O THR A 34 2.945 -18.128 -17.044 1.00 0.00 O ATOM 546 CB THR A 34 5.049 -16.171 -15.400 1.00 0.00 C ATOM 547 OG1 THR A 34 5.097 -15.257 -14.296 1.00 0.00 O ATOM 548 CG2 THR A 34 4.586 -15.431 -16.645 1.00 0.00 C ATOM 0 H THR A 34 5.509 -17.894 -13.615 1.00 0.00 H new ATOM 0 HA THR A 34 3.114 -16.921 -14.801 1.00 0.00 H new ATOM 0 HB THR A 34 6.041 -16.584 -15.583 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.465 -15.712 -13.510 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.277 -14.616 -16.862 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.560 -16.120 -17.489 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.588 -15.025 -16.477 1.00 0.00 H new ATOM 556 N THR A 35 4.933 -19.065 -16.556 1.00 0.00 N ATOM 557 CA THR A 35 5.002 -19.859 -17.795 1.00 0.00 C ATOM 558 C THR A 35 4.276 -21.217 -17.666 1.00 0.00 C ATOM 559 O THR A 35 3.767 -21.757 -18.655 1.00 0.00 O ATOM 560 CB THR A 35 6.463 -20.115 -18.210 1.00 0.00 C ATOM 561 OG1 THR A 35 7.136 -20.843 -17.174 1.00 0.00 O ATOM 562 CG2 THR A 35 7.185 -18.798 -18.451 1.00 0.00 C ATOM 0 H THR A 35 5.709 -19.225 -15.913 1.00 0.00 H new ATOM 0 HA THR A 35 4.498 -19.268 -18.560 1.00 0.00 H new ATOM 0 HB THR A 35 6.468 -20.695 -19.133 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.466 -20.217 -16.496 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.216 -18.997 -18.743 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.682 -18.247 -19.246 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.175 -18.205 -17.537 1.00 0.00 H new ATOM 570 N LYS A 36 4.208 -21.760 -16.450 1.00 0.00 N ATOM 571 CA LYS A 36 3.521 -23.040 -16.210 1.00 0.00 C ATOM 572 C LYS A 36 2.307 -22.906 -15.259 1.00 0.00 C ATOM 573 O LYS A 36 1.235 -23.451 -15.540 1.00 0.00 O ATOM 574 CB LYS A 36 4.508 -24.062 -15.648 1.00 0.00 C ATOM 575 CG LYS A 36 5.724 -24.314 -16.530 1.00 0.00 C ATOM 576 CD LYS A 36 5.344 -25.072 -17.794 1.00 0.00 C ATOM 577 CE LYS A 36 6.564 -25.362 -18.655 1.00 0.00 C ATOM 578 NZ LYS A 36 6.197 -26.027 -19.934 1.00 0.00 N ATOM 0 H LYS A 36 4.617 -21.339 -15.616 1.00 0.00 H new ATOM 0 HA LYS A 36 3.135 -23.377 -17.172 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.848 -23.721 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.986 -25.006 -15.492 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.184 -23.363 -16.798 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.468 -24.883 -15.973 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.855 -26.009 -17.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.623 -24.489 -18.367 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.087 -24.430 -18.868 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.256 -25.997 -18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.057 -26.207 -20.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.720 -26.929 -19.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.557 -25.411 -20.475 1.00 0.00 H new ATOM 592 N PHE A 37 2.498 -22.206 -14.134 1.00 0.00 N ATOM 593 CA PHE A 37 1.440 -21.986 -13.119 1.00 0.00 C ATOM 594 C PHE A 37 1.322 -23.191 -12.155 1.00 0.00 C ATOM 595 O PHE A 37 0.567 -23.164 -11.176 1.00 0.00 O ATOM 596 CB PHE A 37 0.085 -21.673 -13.797 1.00 0.00 C ATOM 597 CG PHE A 37 -0.959 -21.081 -12.876 1.00 0.00 C ATOM 598 CD1 PHE A 37 -0.991 -19.715 -12.635 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.910 -21.885 -12.260 1.00 0.00 C ATOM 600 CE1 PHE A 37 -1.945 -19.163 -11.800 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.864 -21.337 -11.424 1.00 0.00 C ATOM 602 CZ PHE A 37 -2.883 -19.976 -11.193 1.00 0.00 C ATOM 0 H PHE A 37 3.389 -21.772 -13.894 1.00 0.00 H new ATOM 0 HA PHE A 37 1.725 -21.120 -12.522 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.258 -20.981 -14.621 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.310 -22.592 -14.230 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.261 -19.074 -13.106 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.904 -22.950 -12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.957 -18.098 -11.622 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.596 -21.974 -10.950 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.629 -19.548 -10.540 1.00 0.00 H new ATOM 612 N VAL A 38 2.108 -24.236 -12.423 1.00 0.00 N ATOM 613 CA VAL A 38 1.971 -25.536 -11.747 1.00 0.00 C ATOM 614 C VAL A 38 3.350 -26.125 -11.390 1.00 0.00 C ATOM 615 O VAL A 38 4.386 -25.602 -11.798 1.00 0.00 O ATOM 616 CB VAL A 38 1.202 -26.546 -12.620 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.212 -26.051 -12.886 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.935 -26.787 -13.930 1.00 0.00 C ATOM 0 H VAL A 38 2.858 -24.209 -13.114 1.00 0.00 H new ATOM 0 HA VAL A 38 1.408 -25.358 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 38 1.142 -27.491 -12.080 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.741 -26.776 -13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.739 -25.928 -11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.171 -25.094 -13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.377 -27.503 -14.533 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.026 -25.847 -14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.929 -27.184 -13.723 1.00 0.00 H new ATOM 628 N THR A 39 3.361 -27.223 -10.635 1.00 0.00 N ATOM 629 CA THR A 39 4.625 -27.886 -10.268 1.00 0.00 C ATOM 630 C THR A 39 5.539 -28.143 -11.486 1.00 0.00 C ATOM 631 O THR A 39 5.217 -28.920 -12.384 1.00 0.00 O ATOM 632 CB THR A 39 4.360 -29.226 -9.556 1.00 0.00 C ATOM 633 OG1 THR A 39 3.526 -29.005 -8.412 1.00 0.00 O ATOM 634 CG2 THR A 39 5.669 -29.860 -9.110 1.00 0.00 C ATOM 0 H THR A 39 2.523 -27.673 -10.266 1.00 0.00 H new ATOM 0 HA THR A 39 5.138 -27.199 -9.594 1.00 0.00 H new ATOM 0 HB THR A 39 3.861 -29.899 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.707 -28.543 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.463 -30.806 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.301 -30.040 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.182 -29.189 -8.421 1.00 0.00 H new ATOM 642 N GLU A 40 6.677 -27.449 -11.516 1.00 0.00 N ATOM 643 CA GLU A 40 7.661 -27.586 -12.602 1.00 0.00 C ATOM 644 C GLU A 40 9.073 -27.845 -12.043 1.00 0.00 C ATOM 645 O GLU A 40 9.438 -27.312 -10.997 1.00 0.00 O ATOM 646 CB GLU A 40 7.664 -26.334 -13.483 1.00 0.00 C ATOM 647 CG GLU A 40 8.593 -26.415 -14.685 1.00 0.00 C ATOM 648 CD GLU A 40 8.321 -27.645 -15.505 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.325 -27.674 -16.187 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.164 -28.511 -15.538 1.00 0.00 O ATOM 0 H GLU A 40 6.946 -26.779 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 40 7.372 -28.444 -13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.649 -26.150 -13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.951 -25.477 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.467 -25.527 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.629 -26.423 -14.346 1.00 0.00 H new ATOM 657 N ARG A 41 9.874 -28.652 -12.745 1.00 0.00 N ATOM 658 CA ARG A 41 11.198 -29.041 -12.240 1.00 0.00 C ATOM 659 C ARG A 41 11.962 -27.821 -11.707 1.00 0.00 C ATOM 660 O ARG A 41 12.409 -27.809 -10.565 1.00 0.00 O ATOM 661 CB ARG A 41 12.011 -29.799 -13.280 1.00 0.00 C ATOM 662 CG ARG A 41 13.384 -30.255 -12.811 1.00 0.00 C ATOM 663 CD ARG A 41 14.147 -31.036 -13.817 1.00 0.00 C ATOM 664 NE ARG A 41 15.466 -31.460 -13.377 1.00 0.00 N ATOM 665 CZ ARG A 41 16.324 -32.184 -14.121 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.996 -32.596 -15.326 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.499 -32.488 -13.599 1.00 0.00 N ATOM 0 H ARG A 41 9.634 -29.046 -13.655 1.00 0.00 H new ATOM 0 HA ARG A 41 11.038 -29.728 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.443 -30.673 -13.598 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.135 -29.164 -14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.968 -29.379 -12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.265 -30.861 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.568 -31.918 -14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.255 -30.435 -14.720 1.00 0.00 H new ATOM 0 HE ARG A 41 15.762 -31.190 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.079 -32.368 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.658 -33.143 -15.876 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.735 -32.176 -12.657 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.170 -33.035 -14.138 1.00 0.00 H new ATOM 681 N GLU A 42 12.069 -26.781 -12.529 1.00 0.00 N ATOM 682 CA GLU A 42 12.843 -25.584 -12.172 1.00 0.00 C ATOM 683 C GLU A 42 12.161 -24.800 -11.029 1.00 0.00 C ATOM 684 O GLU A 42 12.810 -24.082 -10.274 1.00 0.00 O ATOM 685 CB GLU A 42 13.027 -24.682 -13.395 1.00 0.00 C ATOM 686 CG GLU A 42 13.948 -25.252 -14.464 1.00 0.00 C ATOM 687 CD GLU A 42 13.974 -24.377 -15.686 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.271 -23.395 -15.706 1.00 0.00 O ATOM 689 OE2 GLU A 42 14.777 -24.627 -16.554 1.00 0.00 O ATOM 0 H GLU A 42 11.631 -26.738 -13.449 1.00 0.00 H new ATOM 0 HA GLU A 42 13.823 -25.910 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.050 -24.489 -13.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.423 -23.721 -13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.957 -25.350 -14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.615 -26.253 -14.738 1.00 0.00 H new ATOM 696 N TYR A 43 10.844 -24.969 -10.919 1.00 0.00 N ATOM 697 CA TYR A 43 10.038 -24.323 -9.872 1.00 0.00 C ATOM 698 C TYR A 43 10.341 -24.897 -8.475 1.00 0.00 C ATOM 699 O TYR A 43 10.220 -24.194 -7.473 1.00 0.00 O ATOM 700 CB TYR A 43 8.548 -24.472 -10.187 1.00 0.00 C ATOM 701 CG TYR A 43 7.651 -23.607 -9.330 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.182 -22.613 -8.521 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.275 -23.785 -9.335 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.366 -21.821 -7.735 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.451 -22.999 -8.554 1.00 0.00 C ATOM 706 CZ TYR A 43 6.001 -22.017 -7.756 1.00 0.00 C ATOM 707 OH TYR A 43 5.184 -21.229 -6.977 1.00 0.00 O ATOM 0 H TYR A 43 10.301 -25.557 -11.551 1.00 0.00 H new ATOM 0 HA TYR A 43 10.304 -23.266 -9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.382 -24.224 -11.235 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.262 -25.516 -10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.250 -22.455 -8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.841 -24.551 -9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.795 -21.053 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.382 -23.152 -8.568 1.00 0.00 H new ATOM 0 HH TYR A 43 4.349 -21.048 -7.458 1.00 0.00 H new ATOM 717 N TYR A 44 10.732 -26.176 -8.405 1.00 0.00 N ATOM 718 CA TYR A 44 11.084 -26.798 -7.112 1.00 0.00 C ATOM 719 C TYR A 44 12.499 -27.414 -7.088 1.00 0.00 C ATOM 720 O TYR A 44 12.879 -28.036 -6.099 1.00 0.00 O ATOM 721 CB TYR A 44 10.054 -27.871 -6.754 1.00 0.00 C ATOM 722 CG TYR A 44 10.061 -29.063 -7.687 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.990 -30.082 -7.534 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.138 -29.166 -8.717 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.002 -31.171 -8.382 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.139 -30.251 -9.571 1.00 0.00 C ATOM 727 CZ TYR A 44 10.074 -31.253 -9.400 1.00 0.00 C ATOM 728 OH TYR A 44 10.079 -32.336 -10.249 1.00 0.00 O ATOM 0 H TYR A 44 10.813 -26.796 -9.211 1.00 0.00 H new ATOM 0 HA TYR A 44 11.078 -25.996 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.242 -28.217 -5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.060 -27.423 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.717 -30.022 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.406 -28.384 -8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.733 -31.954 -8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.413 -30.316 -10.368 1.00 0.00 H new ATOM 0 HH TYR A 44 9.360 -32.238 -10.908 1.00 0.00 H new ATOM 738 N GLU A 45 13.272 -27.242 -8.162 1.00 0.00 N ATOM 739 CA GLU A 45 14.618 -27.843 -8.261 1.00 0.00 C ATOM 740 C GLU A 45 15.479 -27.571 -7.009 1.00 0.00 C ATOM 741 O GLU A 45 16.133 -28.474 -6.485 1.00 0.00 O ATOM 742 CB GLU A 45 15.338 -27.321 -9.507 1.00 0.00 C ATOM 743 CG GLU A 45 16.737 -27.885 -9.707 1.00 0.00 C ATOM 744 CD GLU A 45 17.364 -27.356 -10.967 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.716 -26.612 -11.662 1.00 0.00 O ATOM 746 OE2 GLU A 45 18.528 -27.604 -11.177 1.00 0.00 O ATOM 0 H GLU A 45 12.997 -26.694 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 45 14.481 -28.922 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.736 -27.556 -10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.403 -26.235 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.361 -27.627 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.690 -28.973 -9.751 1.00 0.00 H new ATOM 753 N ASP A 46 15.484 -26.327 -6.539 1.00 0.00 N ATOM 754 CA ASP A 46 16.241 -25.969 -5.332 1.00 0.00 C ATOM 755 C ASP A 46 15.381 -25.178 -4.331 1.00 0.00 C ATOM 756 O ASP A 46 15.900 -24.379 -3.542 1.00 0.00 O ATOM 757 CB ASP A 46 17.484 -25.159 -5.705 1.00 0.00 C ATOM 758 CG ASP A 46 17.189 -23.838 -6.405 1.00 0.00 C ATOM 759 OD1 ASP A 46 16.039 -23.564 -6.651 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.092 -23.050 -6.545 1.00 0.00 O ATOM 0 H ASP A 46 14.978 -25.552 -6.968 1.00 0.00 H new ATOM 0 HA ASP A 46 16.545 -26.898 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.056 -24.956 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.117 -25.766 -6.353 1.00 0.00 H new ATOM 765 N PHE A 47 14.074 -25.412 -4.356 1.00 0.00 N ATOM 766 CA PHE A 47 13.139 -24.705 -3.475 1.00 0.00 C ATOM 767 C PHE A 47 12.622 -25.604 -2.336 1.00 0.00 C ATOM 768 O PHE A 47 12.649 -26.831 -2.426 1.00 0.00 O ATOM 769 CB PHE A 47 11.963 -24.161 -4.287 1.00 0.00 C ATOM 770 CG PHE A 47 12.335 -23.040 -5.217 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.862 -23.307 -6.471 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.160 -21.719 -4.838 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.205 -22.277 -7.327 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.500 -20.687 -5.692 1.00 0.00 C ATOM 775 CZ PHE A 47 13.024 -20.968 -6.938 1.00 0.00 C ATOM 0 H PHE A 47 13.632 -26.088 -4.978 1.00 0.00 H new ATOM 0 HA PHE A 47 13.683 -23.878 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.528 -24.974 -4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.191 -23.811 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.006 -24.331 -6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.753 -21.493 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.615 -22.499 -8.301 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.356 -19.662 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.292 -20.163 -7.606 1.00 0.00 H new ATOM 785 N GLY A 48 12.145 -24.979 -1.261 1.00 0.00 N ATOM 786 CA GLY A 48 11.572 -25.733 -0.149 1.00 0.00 C ATOM 787 C GLY A 48 11.633 -24.992 1.183 1.00 0.00 C ATOM 788 O GLY A 48 10.727 -25.109 2.009 1.00 0.00 O ATOM 0 H GLY A 48 12.143 -23.967 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.533 -25.969 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.100 -26.682 -0.053 1.00 0.00 H new ATOM 792 N TYR A 49 12.698 -24.225 1.396 1.00 0.00 N ATOM 793 CA TYR A 49 12.944 -23.588 2.700 1.00 0.00 C ATOM 794 C TYR A 49 13.030 -22.061 2.581 1.00 0.00 C ATOM 795 O TYR A 49 13.565 -21.533 1.611 1.00 0.00 O ATOM 796 CB TYR A 49 14.231 -24.145 3.329 1.00 0.00 C ATOM 797 CG TYR A 49 14.139 -25.618 3.698 1.00 0.00 C ATOM 798 CD1 TYR A 49 13.685 -26.010 4.955 1.00 0.00 C ATOM 799 CD2 TYR A 49 14.499 -26.614 2.792 1.00 0.00 C ATOM 800 CE1 TYR A 49 13.593 -27.346 5.297 1.00 0.00 C ATOM 801 CE2 TYR A 49 14.409 -27.952 3.130 1.00 0.00 C ATOM 802 CZ TYR A 49 13.954 -28.312 4.381 1.00 0.00 C ATOM 803 OH TYR A 49 13.860 -29.642 4.722 1.00 0.00 O ATOM 0 H TYR A 49 13.406 -24.026 0.690 1.00 0.00 H new ATOM 0 HA TYR A 49 12.098 -23.821 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.057 -24.004 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.467 -23.569 4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.400 -25.257 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.854 -26.337 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.240 -27.632 6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.694 -28.712 2.417 1.00 0.00 H new ATOM 0 HH TYR A 49 12.924 -29.868 4.901 1.00 0.00 H new ATOM 813 N GLY A 50 12.505 -21.361 3.587 1.00 0.00 N ATOM 814 CA GLY A 50 12.585 -19.902 3.626 1.00 0.00 C ATOM 815 C GLY A 50 11.214 -19.256 3.782 1.00 0.00 C ATOM 816 O GLY A 50 10.258 -19.931 4.159 1.00 0.00 O ATOM 0 H GLY A 50 12.022 -21.779 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.225 -19.597 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.053 -19.541 2.711 1.00 0.00 H new ATOM 820 N GLU A 51 11.115 -17.958 3.481 1.00 0.00 N ATOM 821 CA GLU A 51 9.833 -17.228 3.549 1.00 0.00 C ATOM 822 C GLU A 51 8.786 -17.834 2.606 1.00 0.00 C ATOM 823 O GLU A 51 7.723 -18.268 3.038 1.00 0.00 O ATOM 824 CB GLU A 51 10.040 -15.748 3.213 1.00 0.00 C ATOM 825 CG GLU A 51 10.481 -14.892 4.391 1.00 0.00 C ATOM 826 CD GLU A 51 9.299 -14.365 5.156 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.032 -14.868 6.221 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.729 -13.387 4.730 1.00 0.00 O ATOM 0 H GLU A 51 11.906 -17.385 3.187 1.00 0.00 H new ATOM 0 HA GLU A 51 9.461 -17.317 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.786 -15.668 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.109 -15.345 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.113 -15.481 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.085 -14.059 4.032 1.00 0.00 H new ATOM 835 N CYS A 52 9.098 -17.849 1.318 1.00 0.00 N ATOM 836 CA CYS A 52 8.320 -18.602 0.334 1.00 0.00 C ATOM 837 C CYS A 52 9.257 -19.486 -0.500 1.00 0.00 C ATOM 838 O CYS A 52 9.346 -19.341 -1.718 1.00 0.00 O ATOM 839 CB CYS A 52 7.694 -17.505 -0.526 1.00 0.00 C ATOM 840 SG CYS A 52 6.593 -16.385 0.371 1.00 0.00 S ATOM 0 H CYS A 52 9.892 -17.344 0.923 1.00 0.00 H new ATOM 0 HA CYS A 52 7.577 -19.268 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.492 -16.920 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.135 -17.971 -1.337 1.00 0.00 H new ATOM 0 HG CYS A 52 7.301 -15.527 1.043 1.00 0.00 H new ATOM 846 N PHE A 53 9.993 -20.373 0.182 1.00 0.00 N ATOM 847 CA PHE A 53 11.017 -21.221 -0.463 1.00 0.00 C ATOM 848 C PHE A 53 12.158 -20.388 -1.086 1.00 0.00 C ATOM 849 O PHE A 53 12.983 -20.920 -1.833 1.00 0.00 O ATOM 850 CB PHE A 53 10.388 -22.115 -1.550 1.00 0.00 C ATOM 851 CG PHE A 53 9.280 -23.036 -1.083 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.724 -22.915 0.181 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.787 -24.026 -1.930 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.708 -23.758 0.588 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.773 -24.866 -1.523 1.00 0.00 C ATOM 856 CZ PHE A 53 7.232 -24.731 -0.264 1.00 0.00 C ATOM 0 H PHE A 53 9.901 -20.526 1.186 1.00 0.00 H new ATOM 0 HA PHE A 53 11.441 -21.845 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.994 -21.474 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.176 -22.722 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.089 -22.154 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.205 -24.137 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.286 -23.654 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.403 -25.630 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.436 -25.387 0.055 1.00 0.00 H new ATOM 866 N ASN A 54 12.219 -19.099 -0.760 1.00 0.00 N ATOM 867 CA ASN A 54 13.119 -18.166 -1.447 1.00 0.00 C ATOM 868 C ASN A 54 14.481 -18.031 -0.740 1.00 0.00 C ATOM 869 O ASN A 54 14.725 -18.654 0.294 1.00 0.00 O ATOM 870 CB ASN A 54 12.474 -16.799 -1.596 1.00 0.00 C ATOM 871 CG ASN A 54 12.181 -16.123 -0.285 1.00 0.00 C ATOM 872 OD1 ASN A 54 11.628 -16.730 0.639 1.00 0.00 O ATOM 873 ND2 ASN A 54 12.473 -14.849 -0.231 1.00 0.00 N ATOM 0 H ASN A 54 11.656 -18.673 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 54 13.303 -18.586 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.131 -16.159 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.545 -16.904 -2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.244 -14.308 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.930 -14.397 -1.023 1.00 0.00 H new ATOM 880 N SER A 55 15.359 -17.197 -1.305 1.00 0.00 N ATOM 881 CA SER A 55 16.643 -16.851 -0.668 1.00 0.00 C ATOM 882 C SER A 55 16.885 -15.333 -0.703 1.00 0.00 C ATOM 883 O SER A 55 18.013 -14.863 -0.557 1.00 0.00 O ATOM 884 CB SER A 55 17.782 -17.583 -1.352 1.00 0.00 C ATOM 885 OG SER A 55 17.880 -17.251 -2.710 1.00 0.00 O ATOM 0 H SER A 55 15.207 -16.745 -2.207 1.00 0.00 H new ATOM 0 HA SER A 55 16.600 -17.162 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.720 -17.342 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.634 -18.658 -1.252 1.00 0.00 H new ATOM 0 HG SER A 55 17.063 -17.529 -3.175 1.00 0.00 H new ATOM 891 N THR A 56 15.808 -14.584 -0.921 1.00 0.00 N ATOM 892 CA THR A 56 15.850 -13.115 -0.984 1.00 0.00 C ATOM 893 C THR A 56 15.380 -12.455 0.325 1.00 0.00 C ATOM 894 O THR A 56 14.743 -13.093 1.163 1.00 0.00 O ATOM 895 CB THR A 56 14.988 -12.585 -2.146 1.00 0.00 C ATOM 896 OG1 THR A 56 13.605 -12.852 -1.878 1.00 0.00 O ATOM 897 CG2 THR A 56 15.385 -13.252 -3.453 1.00 0.00 C ATOM 0 H THR A 56 14.876 -14.974 -1.060 1.00 0.00 H new ATOM 0 HA THR A 56 16.895 -12.851 -1.147 1.00 0.00 H new ATOM 0 HB THR A 56 15.148 -11.511 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.046 -12.305 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.765 -12.865 -4.262 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.433 -13.041 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.242 -14.329 -3.370 1.00 0.00 H new ATOM 905 N GLU A 57 15.697 -11.166 0.484 1.00 0.00 N ATOM 906 CA GLU A 57 15.400 -10.416 1.718 1.00 0.00 C ATOM 907 C GLU A 57 13.937 -10.563 2.192 1.00 0.00 C ATOM 908 O GLU A 57 13.005 -10.061 1.553 1.00 0.00 O ATOM 909 CB GLU A 57 15.729 -8.936 1.516 1.00 0.00 C ATOM 910 CG GLU A 57 15.518 -8.070 2.750 1.00 0.00 C ATOM 911 CD GLU A 57 16.577 -8.327 3.785 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.443 -9.132 3.535 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.588 -7.640 4.779 1.00 0.00 O ATOM 0 H GLU A 57 16.165 -10.611 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 57 16.026 -10.845 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.768 -8.848 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.114 -8.547 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.532 -7.018 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.535 -8.272 3.175 1.00 0.00 H new ATOM 920 N SER A 58 13.749 -11.271 3.303 1.00 0.00 N ATOM 921 CA SER A 58 12.433 -11.390 3.946 1.00 0.00 C ATOM 922 C SER A 58 11.784 -10.008 4.151 1.00 0.00 C ATOM 923 O SER A 58 12.429 -9.081 4.650 1.00 0.00 O ATOM 924 CB SER A 58 12.565 -12.116 5.271 1.00 0.00 C ATOM 925 OG SER A 58 11.351 -12.163 5.968 1.00 0.00 O ATOM 0 H SER A 58 14.494 -11.776 3.783 1.00 0.00 H new ATOM 0 HA SER A 58 11.784 -11.968 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.921 -13.131 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.316 -11.617 5.884 1.00 0.00 H new ATOM 0 HG SER A 58 11.478 -12.640 6.815 1.00 0.00 H new ATOM 931 N GLU A 59 10.505 -9.873 3.786 1.00 0.00 N ATOM 932 CA GLU A 59 9.821 -8.571 3.874 1.00 0.00 C ATOM 933 C GLU A 59 8.590 -8.587 4.805 1.00 0.00 C ATOM 934 O GLU A 59 8.495 -7.774 5.732 1.00 0.00 O ATOM 935 CB GLU A 59 9.402 -8.111 2.475 1.00 0.00 C ATOM 936 CG GLU A 59 10.563 -7.806 1.540 1.00 0.00 C ATOM 937 CD GLU A 59 10.074 -7.310 0.207 1.00 0.00 C ATOM 938 OE1 GLU A 59 8.884 -7.275 0.007 1.00 0.00 O ATOM 939 OE2 GLU A 59 10.884 -6.862 -0.571 1.00 0.00 O ATOM 0 H GLU A 59 9.926 -10.634 3.431 1.00 0.00 H new ATOM 0 HA GLU A 59 10.535 -7.872 4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.780 -8.884 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.783 -7.219 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.211 -7.057 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.164 -8.704 1.398 1.00 0.00 H new ATOM 946 N VAL A 60 7.661 -9.517 4.580 1.00 0.00 N ATOM 947 CA VAL A 60 6.323 -9.439 5.195 1.00 0.00 C ATOM 948 C VAL A 60 5.943 -10.738 5.949 1.00 0.00 C ATOM 949 O VAL A 60 4.764 -11.076 6.091 1.00 0.00 O ATOM 950 CB VAL A 60 5.245 -9.141 4.136 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.413 -7.732 3.587 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.308 -10.162 3.010 1.00 0.00 C ATOM 0 H VAL A 60 7.803 -10.331 3.981 1.00 0.00 H new ATOM 0 HA VAL A 60 6.367 -8.624 5.917 1.00 0.00 H new ATOM 0 HB VAL A 60 4.266 -9.212 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.643 -7.538 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.320 -7.011 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.397 -7.635 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.539 -9.936 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.289 -10.122 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.140 -11.160 3.414 1.00 0.00 H new ATOM 962 N GLN A 61 6.966 -11.446 6.442 1.00 0.00 N ATOM 963 CA GLN A 61 6.809 -12.643 7.300 1.00 0.00 C ATOM 964 C GLN A 61 5.926 -13.744 6.677 1.00 0.00 C ATOM 965 O GLN A 61 5.035 -14.286 7.338 1.00 0.00 O ATOM 966 CB GLN A 61 6.221 -12.238 8.654 1.00 0.00 C ATOM 967 CG GLN A 61 7.117 -11.327 9.474 1.00 0.00 C ATOM 968 CD GLN A 61 8.358 -12.037 9.980 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.273 -13.102 10.598 1.00 0.00 O ATOM 970 NE2 GLN A 61 9.522 -11.450 9.723 1.00 0.00 N ATOM 0 H GLN A 61 7.941 -11.207 6.259 1.00 0.00 H new ATOM 0 HA GLN A 61 7.807 -13.065 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.267 -11.737 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.012 -13.139 9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.414 -10.472 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.554 -10.936 10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.547 -10.570 9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.391 -11.880 10.040 1.00 0.00 H new ATOM 979 N CYS A 62 6.197 -14.108 5.422 1.00 0.00 N ATOM 980 CA CYS A 62 5.448 -15.187 4.760 1.00 0.00 C ATOM 981 C CYS A 62 5.635 -16.524 5.486 1.00 0.00 C ATOM 982 O CYS A 62 4.773 -17.400 5.416 1.00 0.00 O ATOM 983 CB CYS A 62 6.085 -15.236 3.371 1.00 0.00 C ATOM 984 SG CYS A 62 5.784 -13.770 2.355 1.00 0.00 S ATOM 0 H CYS A 62 6.921 -13.679 4.846 1.00 0.00 H new ATOM 0 HA CYS A 62 4.372 -15.012 4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.161 -15.370 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.708 -16.112 2.843 1.00 0.00 H new ATOM 0 HG CYS A 62 5.931 -14.074 1.100 1.00 0.00 H new ATOM 990 N GLU A 63 6.753 -16.671 6.206 1.00 0.00 N ATOM 991 CA GLU A 63 7.031 -17.911 6.952 1.00 0.00 C ATOM 992 C GLU A 63 5.940 -18.194 8.008 1.00 0.00 C ATOM 993 O GLU A 63 5.850 -19.295 8.556 1.00 0.00 O ATOM 994 CB GLU A 63 8.404 -17.831 7.623 1.00 0.00 C ATOM 995 CG GLU A 63 8.491 -16.822 8.760 1.00 0.00 C ATOM 996 CD GLU A 63 9.868 -16.793 9.360 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.722 -17.499 8.878 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.099 -15.985 10.229 1.00 0.00 O ATOM 0 H GLU A 63 7.476 -15.956 6.290 1.00 0.00 H new ATOM 0 HA GLU A 63 7.028 -18.735 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.665 -18.817 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.149 -17.576 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.233 -15.830 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.762 -17.075 9.530 1.00 0.00 H new ATOM 1005 N LEU A 64 5.126 -17.186 8.295 1.00 0.00 N ATOM 1006 CA LEU A 64 3.981 -17.320 9.195 1.00 0.00 C ATOM 1007 C LEU A 64 2.709 -16.859 8.464 1.00 0.00 C ATOM 1008 O LEU A 64 1.892 -17.677 8.044 1.00 0.00 O ATOM 1009 CB LEU A 64 4.201 -16.511 10.478 1.00 0.00 C ATOM 1010 CG LEU A 64 3.054 -16.573 11.494 1.00 0.00 C ATOM 1011 CD1 LEU A 64 2.876 -18.001 11.994 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.348 -15.630 12.652 1.00 0.00 C ATOM 0 H LEU A 64 5.239 -16.248 7.910 1.00 0.00 H new ATOM 0 HA LEU A 64 3.868 -18.365 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.112 -16.866 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.369 -15.469 10.207 1.00 0.00 H new ATOM 0 HG LEU A 64 2.126 -16.261 11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.059 -18.035 12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.645 -18.655 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.796 -18.336 12.472 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.532 -15.675 13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.278 -15.928 13.137 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.445 -14.611 12.276 1.00 0.00 H new ATOM 1024 N ILE A 65 2.573 -15.536 8.318 1.00 0.00 N ATOM 1025 CA ILE A 65 1.404 -14.910 7.681 1.00 0.00 C ATOM 1026 C ILE A 65 1.720 -13.460 7.264 1.00 0.00 C ATOM 1027 O ILE A 65 2.476 -12.753 7.934 1.00 0.00 O ATOM 1028 CB ILE A 65 0.180 -14.917 8.614 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -1.074 -14.479 7.854 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.421 -14.014 9.815 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.367 -14.820 8.559 1.00 0.00 C ATOM 0 H ILE A 65 3.272 -14.866 8.639 1.00 0.00 H new ATOM 0 HA ILE A 65 1.168 -15.499 6.795 1.00 0.00 H new ATOM 0 HB ILE A 65 0.026 -15.934 8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.032 -13.402 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.073 -14.948 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.454 -14.031 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.290 -14.369 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.600 -12.994 9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.210 -14.478 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.433 -15.899 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.391 -14.329 9.532 1.00 0.00 H new ATOM 1043 N THR A 66 1.140 -13.017 6.147 1.00 0.00 N ATOM 1044 CA THR A 66 1.422 -11.678 5.595 1.00 0.00 C ATOM 1045 C THR A 66 0.233 -10.713 5.801 1.00 0.00 C ATOM 1046 O THR A 66 0.394 -9.492 5.796 1.00 0.00 O ATOM 1047 CB THR A 66 1.754 -11.749 4.093 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.605 -12.205 3.368 1.00 0.00 O ATOM 1049 CG2 THR A 66 2.914 -12.703 3.849 1.00 0.00 C ATOM 0 H THR A 66 0.471 -13.561 5.602 1.00 0.00 H new ATOM 0 HA THR A 66 2.287 -11.296 6.138 1.00 0.00 H new ATOM 0 HB THR A 66 2.036 -10.753 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.759 -13.120 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.135 -12.741 2.782 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.793 -12.353 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.646 -13.699 4.200 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.959 -11.271 5.993 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.192 -10.504 5.840 1.00 0.00 C ATOM 1059 C GLY A 67 -2.776 -10.534 4.426 1.00 0.00 C ATOM 1060 O GLY A 67 -3.960 -10.248 4.230 1.00 0.00 O ATOM 0 H GLY A 67 -1.097 -12.247 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.936 -10.890 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.000 -9.468 6.120 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.947 -10.893 3.444 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.416 -11.156 2.077 1.00 0.00 C ATOM 1066 C GLU A 68 -2.575 -12.656 1.762 1.00 0.00 C ATOM 1067 O GLU A 68 -3.254 -13.021 0.804 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.456 -10.520 1.070 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.570 -9.006 0.964 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.170 -8.337 2.250 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -0.122 -8.651 2.760 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -1.855 -7.430 2.662 1.00 0.00 O ATOM 0 H GLU A 68 -0.941 -11.009 3.569 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.408 -10.711 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.434 -10.777 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.638 -10.956 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.937 -8.647 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.595 -8.733 0.713 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.941 -13.514 2.558 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.116 -14.972 2.426 1.00 0.00 C ATOM 1081 C PHE A 69 -3.277 -15.509 3.287 1.00 0.00 C ATOM 1082 O PHE A 69 -3.359 -16.712 3.554 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.818 -15.691 2.799 1.00 0.00 C ATOM 1084 CG PHE A 69 0.357 -15.301 1.949 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.171 -14.629 0.750 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.650 -15.606 2.346 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.252 -14.270 -0.033 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.733 -15.247 1.566 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.532 -14.578 0.374 1.00 0.00 C ATOM 0 H PHE A 69 -1.302 -13.233 3.301 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.366 -15.171 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.585 -15.482 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.973 -16.767 2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.829 -14.384 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.813 -16.130 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.093 -13.748 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.735 -15.489 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.377 -14.297 -0.238 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.163 -14.614 3.721 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.235 -14.957 4.666 1.00 0.00 C ATOM 1101 C ASP A 70 -6.234 -15.964 4.040 1.00 0.00 C ATOM 1102 O ASP A 70 -6.933 -15.640 3.078 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.970 -13.691 5.116 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.077 -13.934 6.133 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.400 -15.075 6.369 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.479 -12.997 6.779 1.00 0.00 O ATOM 0 H ASP A 70 -4.162 -13.636 3.432 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.779 -15.431 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.246 -12.998 5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.398 -13.204 4.240 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.318 -17.201 4.587 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.278 -18.236 4.121 1.00 0.00 C ATOM 1113 C PRO A 71 -8.759 -17.787 4.043 1.00 0.00 C ATOM 1114 O PRO A 71 -9.534 -18.353 3.268 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.095 -19.361 5.142 1.00 0.00 C ATOM 1116 CG PRO A 71 -5.696 -19.197 5.631 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.469 -17.710 5.695 1.00 0.00 C ATOM 0 HA PRO A 71 -7.067 -18.514 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.813 -19.277 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.244 -20.340 4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.565 -19.657 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.985 -19.675 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.769 -17.296 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.419 -17.454 5.551 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.160 -16.791 4.832 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.545 -16.287 4.788 1.00 0.00 C ATOM 1127 C LYS A 72 -10.777 -15.411 3.538 1.00 0.00 C ATOM 1128 O LYS A 72 -11.899 -15.307 3.042 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.867 -15.495 6.056 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.922 -16.334 7.326 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.243 -15.479 8.541 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.303 -16.317 9.809 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.599 -15.490 11.011 1.00 0.00 N ATOM 0 H LYS A 72 -8.558 -16.317 5.505 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.213 -17.146 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.116 -14.715 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.827 -14.995 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.677 -17.113 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.966 -16.836 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.486 -14.703 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.198 -14.975 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.069 -17.085 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.353 -16.832 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.631 -16.100 11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.855 -14.773 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.518 -15.018 10.890 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.715 -14.776 3.045 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.808 -13.920 1.850 1.00 0.00 C ATOM 1149 C LEU A 73 -9.218 -14.607 0.606 1.00 0.00 C ATOM 1150 O LEU A 73 -9.326 -14.085 -0.505 1.00 0.00 O ATOM 1151 CB LEU A 73 -9.098 -12.585 2.105 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.662 -11.757 3.268 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.814 -10.511 3.481 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -11.106 -11.381 2.970 1.00 0.00 C ATOM 0 H LEU A 73 -8.780 -14.834 3.449 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.865 -13.738 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.044 -12.784 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.148 -11.986 1.196 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.634 -12.349 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.222 -9.930 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.790 -10.803 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.822 -9.906 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.507 -10.793 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.147 -10.794 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.700 -12.287 2.848 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.594 -15.767 0.790 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.982 -16.501 -0.326 1.00 0.00 C ATOM 1168 C LEU A 74 -9.036 -17.378 -1.035 1.00 0.00 C ATOM 1169 O LEU A 74 -9.578 -18.310 -0.436 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.815 -17.360 0.177 1.00 0.00 C ATOM 1171 CG LEU A 74 -6.176 -18.274 -0.875 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.475 -17.438 -1.938 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -5.195 -19.220 -0.199 1.00 0.00 C ATOM 0 H LEU A 74 -8.496 -16.223 1.697 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.594 -15.780 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.045 -16.700 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.168 -17.976 1.004 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.952 -18.864 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.024 -18.097 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.200 -16.785 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.698 -16.833 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.741 -19.869 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.417 -18.642 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.723 -19.827 0.536 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.341 -17.086 -2.318 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.171 -17.967 -3.163 1.00 0.00 C ATOM 1187 C PRO A 75 -9.484 -19.297 -3.513 1.00 0.00 C ATOM 1188 O PRO A 75 -8.259 -19.372 -3.632 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.390 -17.126 -4.426 1.00 0.00 C ATOM 1190 CG PRO A 75 -9.177 -16.263 -4.515 1.00 0.00 C ATOM 1191 CD PRO A 75 -8.813 -15.921 -3.093 1.00 0.00 C ATOM 0 HA PRO A 75 -11.089 -18.264 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.494 -17.756 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.298 -16.528 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.360 -16.786 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.379 -15.362 -5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.736 -15.809 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.270 -14.984 -2.774 1.00 0.00 H new ATOM 1199 N TYR A 76 -10.273 -20.357 -3.688 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.712 -21.703 -3.827 1.00 0.00 C ATOM 1201 C TYR A 76 -10.092 -22.368 -5.160 1.00 0.00 C ATOM 1202 O TYR A 76 -11.124 -23.029 -5.281 1.00 0.00 O ATOM 1203 CB TYR A 76 -10.170 -22.581 -2.661 1.00 0.00 C ATOM 1204 CG TYR A 76 -9.694 -22.101 -1.307 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -8.387 -22.315 -0.896 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -10.554 -21.439 -0.444 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -7.946 -21.878 0.338 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -10.124 -20.998 0.793 1.00 0.00 C ATOM 1209 CZ TYR A 76 -8.818 -21.220 1.181 1.00 0.00 C ATOM 1210 OH TYR A 76 -8.385 -20.785 2.412 1.00 0.00 O ATOM 0 H TYR A 76 -11.291 -20.313 -3.737 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.627 -21.601 -3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.259 -22.624 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.811 -23.598 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.702 -22.832 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.577 -21.265 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.924 -22.050 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.806 -20.482 1.453 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.828 -19.939 2.634 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.253 -22.161 -6.170 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.256 -22.998 -7.374 1.00 0.00 C ATOM 1222 C ASP A 77 -8.288 -24.175 -7.172 1.00 0.00 C ATOM 1223 O ASP A 77 -7.519 -24.176 -6.216 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.867 -22.184 -8.612 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.356 -22.768 -9.929 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -9.889 -23.852 -9.914 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.335 -22.065 -10.912 1.00 0.00 O ATOM 0 H ASP A 77 -8.556 -21.416 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.263 -23.381 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.264 -21.174 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.781 -22.098 -8.648 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.308 -25.162 -8.067 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.461 -26.356 -7.918 1.00 0.00 C ATOM 1234 C LYS A 78 -5.959 -26.003 -8.012 1.00 0.00 C ATOM 1235 O LYS A 78 -5.206 -26.137 -7.037 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.824 -27.399 -8.978 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.002 -28.678 -8.909 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.440 -29.676 -9.970 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.608 -30.949 -9.912 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.009 -31.924 -10.962 1.00 0.00 N ATOM 0 H LYS A 78 -8.896 -25.164 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.645 -26.772 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.879 -27.653 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.699 -26.954 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.946 -28.442 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.105 -29.126 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.493 -29.921 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.347 -29.224 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.554 -30.699 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.716 -31.409 -8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.418 -32.777 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.008 -32.183 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.882 -31.495 -11.901 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.540 -25.504 -9.177 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.126 -25.196 -9.421 1.00 0.00 C ATOM 1256 C ARG A 79 -3.673 -23.965 -8.625 1.00 0.00 C ATOM 1257 O ARG A 79 -2.561 -23.939 -8.087 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.824 -25.038 -10.904 1.00 0.00 C ATOM 1259 CG ARG A 79 -3.922 -26.320 -11.716 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.869 -26.119 -13.187 1.00 0.00 C ATOM 1261 NE ARG A 79 -3.962 -27.343 -13.966 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.046 -27.389 -15.310 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.087 -26.287 -16.024 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.112 -28.575 -15.890 1.00 0.00 N ATOM 0 H ARG A 79 -6.156 -25.305 -9.965 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.550 -26.050 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.513 -24.305 -11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.819 -24.631 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.110 -26.985 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.854 -26.825 -11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.682 -25.454 -13.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.937 -25.613 -13.439 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.964 -28.229 -13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.055 -25.378 -15.562 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.151 -26.340 -17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.099 -29.422 -15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.176 -28.643 -16.906 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.531 -22.949 -8.565 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.233 -21.711 -7.831 1.00 0.00 C ATOM 1280 C LEU A 80 -3.962 -21.995 -6.343 1.00 0.00 C ATOM 1281 O LEU A 80 -2.865 -21.737 -5.837 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.389 -20.716 -7.984 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.219 -19.396 -7.220 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.075 -18.589 -7.820 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.520 -18.607 -7.271 1.00 0.00 C ATOM 0 H LEU A 80 -5.445 -22.955 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.330 -21.274 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.516 -20.491 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.308 -21.196 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.978 -19.608 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.962 -17.654 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.151 -19.163 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.292 -18.372 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.399 -17.670 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.776 -18.395 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.318 -19.191 -6.812 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.960 -22.557 -5.659 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.873 -22.801 -4.216 1.00 0.00 C ATOM 1299 C ALA A 81 -3.708 -23.726 -3.858 1.00 0.00 C ATOM 1300 O ALA A 81 -2.951 -23.430 -2.937 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.180 -23.374 -3.683 1.00 0.00 C ATOM 0 H ALA A 81 -5.840 -22.853 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.688 -21.837 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.091 -23.547 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.990 -22.669 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.396 -24.317 -4.186 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.553 -24.835 -4.594 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.496 -25.805 -4.279 1.00 0.00 C ATOM 1309 C TRP A 82 -1.104 -25.157 -4.309 1.00 0.00 C ATOM 1310 O TRP A 82 -0.411 -25.130 -3.301 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.544 -26.980 -5.258 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.353 -27.884 -5.167 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.414 -27.900 -4.179 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.971 -28.903 -6.099 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.528 -28.864 -4.437 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.207 -29.496 -5.612 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.516 -29.372 -7.302 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.851 -30.526 -6.278 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.870 -30.407 -7.969 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.279 -30.967 -7.471 1.00 0.00 C ATOM 0 H TRP A 82 -4.134 -25.080 -5.396 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.676 -26.169 -3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.447 -27.562 -5.071 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.619 -26.593 -6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.412 -27.248 -3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.335 -29.076 -3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.420 -28.938 -7.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.757 -30.968 -5.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.281 -30.777 -8.897 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.753 -31.770 -8.017 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.719 -24.612 -5.460 1.00 0.00 N ATOM 1332 CA HIS A 83 0.667 -24.175 -5.674 1.00 0.00 C ATOM 1333 C HIS A 83 0.966 -22.847 -4.970 1.00 0.00 C ATOM 1334 O HIS A 83 2.030 -22.680 -4.382 1.00 0.00 O ATOM 1335 CB HIS A 83 0.962 -24.045 -7.172 1.00 0.00 C ATOM 1336 CG HIS A 83 0.914 -25.346 -7.910 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.223 -25.800 -8.544 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.862 -26.291 -8.114 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.029 -26.970 -9.108 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.286 -27.289 -8.862 1.00 0.00 N ATOM 0 H HIS A 83 -1.338 -24.461 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 83 1.315 -24.937 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.242 -23.358 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.949 -23.600 -7.302 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.118 -25.311 -8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.880 -26.265 -7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.674 -27.563 -9.674 1.00 0.00 H new ATOM 1345 N PHE A 84 0.023 -21.912 -5.008 1.00 0.00 N ATOM 1346 CA PHE A 84 0.224 -20.603 -4.376 1.00 0.00 C ATOM 1347 C PHE A 84 0.313 -20.704 -2.834 1.00 0.00 C ATOM 1348 O PHE A 84 1.209 -20.129 -2.216 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.888 -19.636 -4.803 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.716 -19.091 -6.208 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.582 -19.945 -7.299 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.693 -17.720 -6.436 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.430 -19.444 -8.577 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.542 -17.217 -7.716 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.410 -18.079 -8.787 1.00 0.00 C ATOM 0 H PHE A 84 -0.882 -22.029 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 84 1.183 -20.213 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.848 -20.148 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.922 -18.803 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.597 -21.014 -7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.794 -17.039 -5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.327 -20.120 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.527 -16.149 -7.878 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.291 -17.687 -9.786 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.608 -21.446 -2.215 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.602 -21.613 -0.750 1.00 0.00 C ATOM 1367 C LYS A 85 0.619 -22.424 -0.272 1.00 0.00 C ATOM 1368 O LYS A 85 1.318 -22.019 0.656 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.894 -22.291 -0.289 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.007 -22.469 1.220 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.305 -23.164 1.600 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.384 -23.412 3.099 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.563 -24.243 3.464 1.00 0.00 N ATOM 0 H LYS A 85 -1.362 -21.938 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.536 -20.620 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.743 -21.703 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.966 -23.269 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.160 -23.051 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.957 -21.495 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.152 -22.554 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.381 -24.113 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.473 -23.908 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.437 -22.457 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.580 -24.388 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.434 -23.758 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.500 -25.164 2.985 1.00 0.00 H new ATOM 1387 N GLU A 86 0.871 -23.557 -0.919 1.00 0.00 N ATOM 1388 CA GLU A 86 1.931 -24.491 -0.506 1.00 0.00 C ATOM 1389 C GLU A 86 3.334 -23.884 -0.681 1.00 0.00 C ATOM 1390 O GLU A 86 4.261 -24.212 0.058 1.00 0.00 O ATOM 1391 CB GLU A 86 1.826 -25.797 -1.297 1.00 0.00 C ATOM 1392 CG GLU A 86 0.632 -26.664 -0.926 1.00 0.00 C ATOM 1393 CD GLU A 86 0.699 -27.099 0.512 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.687 -27.680 0.892 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.186 -26.753 1.259 1.00 0.00 O ATOM 0 H GLU A 86 0.352 -23.860 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 86 1.788 -24.696 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.771 -25.560 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.739 -26.373 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.290 -26.109 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.602 -27.541 -1.573 1.00 0.00 H new ATOM 1402 N PHE A 87 3.478 -22.993 -1.656 1.00 0.00 N ATOM 1403 CA PHE A 87 4.758 -22.326 -1.922 1.00 0.00 C ATOM 1404 C PHE A 87 4.994 -21.144 -0.965 1.00 0.00 C ATOM 1405 O PHE A 87 6.043 -21.051 -0.329 1.00 0.00 O ATOM 1406 CB PHE A 87 4.813 -21.846 -3.373 1.00 0.00 C ATOM 1407 CG PHE A 87 6.153 -21.305 -3.782 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.209 -22.162 -4.055 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.360 -19.938 -3.894 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.442 -21.664 -4.432 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.592 -19.439 -4.271 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.634 -20.304 -4.540 1.00 0.00 C ATOM 0 H PHE A 87 2.723 -22.711 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 87 5.551 -23.055 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.550 -22.675 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.059 -21.072 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.066 -23.229 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.549 -19.256 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.256 -22.342 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.740 -18.373 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.598 -19.915 -4.834 1.00 0.00 H new ATOM 1422 N CYS A 88 4.012 -20.243 -0.865 1.00 0.00 N ATOM 1423 CA CYS A 88 4.193 -18.973 -0.140 1.00 0.00 C ATOM 1424 C CYS A 88 3.778 -19.054 1.340 1.00 0.00 C ATOM 1425 O CYS A 88 4.465 -18.532 2.215 1.00 0.00 O ATOM 1426 CB CYS A 88 3.259 -18.029 -0.900 1.00 0.00 C ATOM 1427 SG CYS A 88 3.805 -17.625 -2.577 1.00 0.00 S ATOM 0 H CYS A 88 3.085 -20.365 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 88 5.238 -18.663 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.269 -18.482 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.156 -17.104 -0.332 1.00 0.00 H new ATOM 0 HG CYS A 88 3.718 -16.342 -2.764 1.00 0.00 H new ATOM 1433 N TYR A 89 2.655 -19.720 1.620 1.00 0.00 N ATOM 1434 CA TYR A 89 2.033 -19.669 2.958 1.00 0.00 C ATOM 1435 C TYR A 89 2.366 -20.915 3.804 1.00 0.00 C ATOM 1436 O TYR A 89 1.869 -21.082 4.920 1.00 0.00 O ATOM 1437 CB TYR A 89 0.509 -19.502 2.810 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.231 -19.273 4.120 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.052 -18.165 4.912 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.213 -20.158 4.562 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.614 -17.945 6.102 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.882 -19.943 5.753 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.579 -18.836 6.519 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.248 -18.617 7.705 1.00 0.00 O ATOM 0 H TYR A 89 2.155 -20.300 0.946 1.00 0.00 H new ATOM 0 HA TYR A 89 2.445 -18.811 3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.311 -18.662 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.104 -20.392 2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.807 -17.463 4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.455 -21.025 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.380 -17.079 6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.639 -20.639 6.083 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.896 -19.337 7.853 1.00 0.00 H new ATOM 1454 N LYS A 90 3.225 -21.785 3.282 1.00 0.00 N ATOM 1455 CA LYS A 90 3.721 -22.928 4.053 1.00 0.00 C ATOM 1456 C LYS A 90 4.465 -22.481 5.322 1.00 0.00 C ATOM 1457 O LYS A 90 5.549 -21.910 5.258 1.00 0.00 O ATOM 1458 CB LYS A 90 4.636 -23.795 3.186 1.00 0.00 C ATOM 1459 CG LYS A 90 4.752 -25.242 3.646 1.00 0.00 C ATOM 1460 CD LYS A 90 3.440 -25.989 3.459 1.00 0.00 C ATOM 1461 CE LYS A 90 3.567 -27.447 3.878 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.300 -28.198 3.670 1.00 0.00 N ATOM 0 H LYS A 90 3.593 -21.724 2.333 1.00 0.00 H new ATOM 0 HA LYS A 90 2.856 -23.514 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.265 -23.781 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.631 -23.350 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.541 -25.742 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.042 -25.270 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.658 -25.507 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.134 -25.934 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.367 -27.920 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.851 -27.499 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.457 -29.206 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.568 -27.828 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.988 -28.086 2.684 1.00 0.00 H new ATOM 1476 N THR A 91 3.874 -22.746 6.482 1.00 0.00 N ATOM 1477 CA THR A 91 4.535 -22.457 7.766 1.00 0.00 C ATOM 1478 C THR A 91 5.428 -23.618 8.242 1.00 0.00 C ATOM 1479 O THR A 91 6.268 -23.451 9.130 1.00 0.00 O ATOM 1480 CB THR A 91 3.501 -22.145 8.864 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.663 -23.288 9.075 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.641 -20.956 8.464 1.00 0.00 C ATOM 0 H THR A 91 2.945 -23.158 6.568 1.00 0.00 H new ATOM 0 HA THR A 91 5.165 -21.585 7.591 1.00 0.00 H new ATOM 0 HB THR A 91 4.033 -21.902 9.784 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.007 -23.088 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.916 -20.750 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.275 -20.082 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.115 -21.183 7.537 1.00 0.00 H new ATOM 1490 N SER A 92 5.252 -24.789 7.639 1.00 0.00 N ATOM 1491 CA SER A 92 6.058 -25.970 7.974 1.00 0.00 C ATOM 1492 C SER A 92 7.288 -26.092 7.064 1.00 0.00 C ATOM 1493 O SER A 92 7.261 -25.682 5.899 1.00 0.00 O ATOM 1494 CB SER A 92 5.210 -27.223 7.879 1.00 0.00 C ATOM 1495 OG SER A 92 4.198 -27.248 8.848 1.00 0.00 O ATOM 0 H SER A 92 4.556 -24.951 6.911 1.00 0.00 H new ATOM 0 HA SER A 92 6.413 -25.852 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.763 -27.284 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.846 -28.101 7.996 1.00 0.00 H new ATOM 0 HG SER A 92 3.673 -28.070 8.752 1.00 0.00 H new ATOM 1501 N ALA A 93 8.372 -26.638 7.611 1.00 0.00 N ATOM 1502 CA ALA A 93 9.612 -26.860 6.859 1.00 0.00 C ATOM 1503 C ALA A 93 10.312 -28.140 7.341 1.00 0.00 C ATOM 1504 O ALA A 93 11.315 -28.085 8.056 1.00 0.00 O ATOM 1505 CB ALA A 93 10.537 -25.653 6.984 1.00 0.00 C ATOM 0 H ALA A 93 8.419 -26.939 8.584 1.00 0.00 H new ATOM 0 HA ALA A 93 9.361 -26.987 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.452 -25.836 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.037 -24.769 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.784 -25.491 8.033 1.00 0.00 H new ATOM 1511 N HIS A 94 9.769 -29.287 6.948 1.00 0.00 N ATOM 1512 CA HIS A 94 10.232 -30.596 7.434 1.00 0.00 C ATOM 1513 C HIS A 94 10.838 -31.431 6.284 1.00 0.00 C ATOM 1514 O HIS A 94 11.341 -30.873 5.312 1.00 0.00 O ATOM 1515 CB HIS A 94 9.083 -31.363 8.095 1.00 0.00 C ATOM 1516 CG HIS A 94 8.441 -30.626 9.229 1.00 0.00 C ATOM 1517 ND1 HIS A 94 9.106 -30.347 10.405 1.00 0.00 N ATOM 1518 CD2 HIS A 94 7.198 -30.109 9.367 1.00 0.00 C ATOM 1519 CE1 HIS A 94 8.296 -29.690 11.220 1.00 0.00 C ATOM 1520 NE2 HIS A 94 7.134 -29.534 10.613 1.00 0.00 N ATOM 0 H HIS A 94 8.996 -29.343 6.285 1.00 0.00 H new ATOM 0 HA HIS A 94 11.010 -30.421 8.177 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.326 -31.585 7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.459 -32.319 8.461 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.405 -30.142 8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.543 -29.341 12.212 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.320 -29.062 11.006 1.00 0.00 H new ATOM 1525 N GLY A 95 10.826 -32.766 6.422 1.00 0.00 N ATOM 1526 CA GLY A 95 11.292 -33.657 5.354 1.00 0.00 C ATOM 1527 C GLY A 95 10.526 -33.499 4.037 1.00 0.00 C ATOM 1528 O GLY A 95 11.056 -33.815 2.973 1.00 0.00 O ATOM 0 H GLY A 95 10.500 -33.248 7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.350 -33.469 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.205 -34.690 5.692 1.00 0.00 H new ATOM 1532 N ILE A 96 9.280 -33.021 4.112 1.00 0.00 N ATOM 1533 CA ILE A 96 8.530 -32.588 2.917 1.00 0.00 C ATOM 1534 C ILE A 96 8.237 -31.067 2.943 1.00 0.00 C ATOM 1535 O ILE A 96 7.168 -30.633 3.378 1.00 0.00 O ATOM 1536 CB ILE A 96 7.202 -33.355 2.783 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.458 -34.864 2.751 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.455 -32.911 1.534 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.197 -35.697 2.775 1.00 0.00 C ATOM 0 H ILE A 96 8.764 -32.922 4.986 1.00 0.00 H new ATOM 0 HA ILE A 96 9.162 -32.809 2.057 1.00 0.00 H new ATOM 0 HB ILE A 96 6.582 -33.130 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.026 -35.108 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.078 -35.136 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.519 -33.463 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.243 -31.844 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.068 -33.108 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.459 -36.755 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.637 -35.483 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.584 -35.455 1.907 1.00 0.00 H new ATOM 1551 N PRO A 97 9.204 -30.226 2.520 1.00 0.00 N ATOM 1552 CA PRO A 97 9.088 -28.767 2.622 1.00 0.00 C ATOM 1553 C PRO A 97 8.515 -28.091 1.358 1.00 0.00 C ATOM 1554 O PRO A 97 8.198 -26.905 1.377 1.00 0.00 O ATOM 1555 CB PRO A 97 10.547 -28.367 2.835 1.00 0.00 C ATOM 1556 CG PRO A 97 11.333 -29.351 2.018 1.00 0.00 C ATOM 1557 CD PRO A 97 10.569 -30.665 2.047 1.00 0.00 C ATOM 0 HA PRO A 97 8.395 -28.459 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.729 -27.344 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.822 -28.417 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.450 -28.996 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.335 -29.479 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.528 -31.135 1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.024 -31.386 2.726 1.00 0.00 H new ATOM 1565 N MET A 98 8.391 -28.853 0.266 1.00 0.00 N ATOM 1566 CA MET A 98 8.059 -28.293 -1.051 1.00 0.00 C ATOM 1567 C MET A 98 6.541 -28.280 -1.313 1.00 0.00 C ATOM 1568 O MET A 98 5.743 -28.629 -0.444 1.00 0.00 O ATOM 1569 CB MET A 98 8.772 -29.085 -2.146 1.00 0.00 C ATOM 1570 CG MET A 98 10.289 -28.967 -2.120 1.00 0.00 C ATOM 1571 SD MET A 98 11.055 -29.502 -3.664 1.00 0.00 S ATOM 1572 CE MET A 98 10.803 -31.272 -3.571 1.00 0.00 C ATOM 0 H MET A 98 8.516 -29.865 0.268 1.00 0.00 H new ATOM 0 HA MET A 98 8.399 -27.258 -1.062 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.500 -30.136 -2.053 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.410 -28.747 -3.117 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.566 -27.932 -1.922 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.682 -29.565 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.224 -31.746 -4.458 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.296 -31.663 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.735 -31.485 -3.517 1.00 0.00 H new ATOM 1582 N ILE A 99 6.159 -27.883 -2.529 1.00 0.00 N ATOM 1583 CA ILE A 99 4.743 -27.716 -2.901 1.00 0.00 C ATOM 1584 C ILE A 99 3.967 -29.050 -2.851 1.00 0.00 C ATOM 1585 O ILE A 99 2.756 -29.065 -2.624 1.00 0.00 O ATOM 1586 CB ILE A 99 4.605 -27.110 -4.309 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.079 -25.654 -4.314 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.166 -27.206 -4.791 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.202 -25.056 -5.696 1.00 0.00 C ATOM 0 H ILE A 99 6.813 -27.668 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 99 4.313 -27.035 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 99 5.235 -27.679 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.382 -25.053 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.047 -25.595 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.087 -26.773 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.863 -28.252 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.516 -26.662 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.542 -24.024 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.921 -25.631 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.231 -25.081 -6.191 1.00 0.00 H new ATOM 1601 N GLY A 100 4.666 -30.167 -3.048 1.00 0.00 N ATOM 1602 CA GLY A 100 3.997 -31.466 -3.050 1.00 0.00 C ATOM 1603 C GLY A 100 4.895 -32.652 -2.687 1.00 0.00 C ATOM 1604 O GLY A 100 5.118 -32.941 -1.510 1.00 0.00 O ATOM 0 H GLY A 100 5.673 -30.200 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.164 -31.431 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.573 -31.639 -4.039 1.00 0.00 H new ATOM 1608 N GLU A 101 5.438 -33.314 -3.706 1.00 0.00 N ATOM 1609 CA GLU A 101 6.245 -34.528 -3.512 1.00 0.00 C ATOM 1610 C GLU A 101 7.732 -34.247 -3.251 1.00 0.00 C ATOM 1611 O GLU A 101 8.493 -33.937 -4.168 1.00 0.00 O ATOM 1612 CB GLU A 101 6.105 -35.441 -4.732 1.00 0.00 C ATOM 1613 CG GLU A 101 6.823 -36.777 -4.602 1.00 0.00 C ATOM 1614 CD GLU A 101 6.686 -37.595 -5.856 1.00 0.00 C ATOM 1615 OE1 GLU A 101 6.061 -37.132 -6.780 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.301 -38.632 -5.935 1.00 0.00 O ATOM 0 H GLU A 101 5.336 -33.033 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 101 5.858 -35.014 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.046 -35.627 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.490 -34.919 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.878 -36.606 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.414 -37.331 -3.757 1.00 0.00 H new ATOM 1623 N ALA A 102 8.134 -34.354 -1.989 1.00 0.00 N ATOM 1624 CA ALA A 102 9.526 -34.123 -1.593 1.00 0.00 C ATOM 1625 C ALA A 102 10.076 -35.346 -0.835 1.00 0.00 C ATOM 1626 O ALA A 102 9.868 -35.491 0.368 1.00 0.00 O ATOM 1627 CB ALA A 102 9.631 -32.860 -0.749 1.00 0.00 C ATOM 0 H ALA A 102 7.515 -34.600 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 102 10.131 -33.982 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.670 -32.700 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.279 -32.006 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.019 -32.969 0.147 1.00 0.00 H new ATOM 1633 N PRO A 103 10.772 -36.259 -1.542 1.00 0.00 N ATOM 1634 CA PRO A 103 11.414 -37.440 -0.923 1.00 0.00 C ATOM 1635 C PRO A 103 12.623 -37.088 -0.034 1.00 0.00 C ATOM 1636 O PRO A 103 13.772 -37.296 -0.429 1.00 0.00 O ATOM 1637 CB PRO A 103 11.829 -38.295 -2.125 1.00 0.00 C ATOM 1638 CG PRO A 103 12.073 -37.309 -3.215 1.00 0.00 C ATOM 1639 CD PRO A 103 11.029 -36.240 -3.029 1.00 0.00 C ATOM 0 HA PRO A 103 10.736 -37.951 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.725 -38.877 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.047 -39.003 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.078 -36.892 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.985 -37.777 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.387 -35.266 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.124 -36.459 -3.596 1.00 0.00 H new ATOM 1647 N LEU A 104 12.361 -36.546 1.163 1.00 0.00 N ATOM 1648 CA LEU A 104 13.425 -36.104 2.085 1.00 0.00 C ATOM 1649 C LEU A 104 14.380 -35.099 1.390 1.00 0.00 C ATOM 1650 O LEU A 104 15.589 -35.088 1.629 1.00 0.00 O ATOM 1651 CB LEU A 104 14.209 -37.314 2.608 1.00 0.00 C ATOM 1652 CG LEU A 104 13.365 -38.382 3.317 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.244 -39.554 3.730 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.680 -37.767 4.529 1.00 0.00 C ATOM 0 H LEU A 104 11.417 -36.401 1.520 1.00 0.00 H new ATOM 0 HA LEU A 104 12.957 -35.596 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.728 -37.780 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.974 -36.960 3.299 1.00 0.00 H new ATOM 0 HG LEU A 104 12.601 -38.754 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.635 -40.306 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.705 -39.992 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.022 -39.204 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.081 -38.526 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.433 -37.384 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.035 -36.950 4.207 1.00 0.00 H new ATOM 1666 N GLU A 105 13.811 -34.227 0.561 1.00 0.00 N ATOM 1667 CA GLU A 105 14.584 -33.220 -0.167 1.00 0.00 C ATOM 1668 C GLU A 105 14.957 -32.033 0.736 1.00 0.00 C ATOM 1669 O GLU A 105 14.214 -31.055 0.849 1.00 0.00 O ATOM 1670 CB GLU A 105 13.800 -32.728 -1.386 1.00 0.00 C ATOM 1671 CG GLU A 105 13.595 -33.780 -2.466 1.00 0.00 C ATOM 1672 CD GLU A 105 14.865 -34.036 -3.229 1.00 0.00 C ATOM 1673 OE1 GLU A 105 15.845 -33.389 -2.946 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.889 -34.954 -4.014 1.00 0.00 O ATOM 0 H GLU A 105 12.809 -34.197 0.375 1.00 0.00 H new ATOM 0 HA GLU A 105 15.509 -33.690 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.825 -32.369 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.323 -31.876 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.248 -34.708 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.816 -33.451 -3.153 1.00 0.00 H new ATOM 1681 N HIS A 106 16.108 -32.133 1.389 1.00 0.00 N ATOM 1682 CA HIS A 106 16.589 -31.063 2.263 1.00 0.00 C ATOM 1683 C HIS A 106 17.478 -30.092 1.472 1.00 0.00 C ATOM 1684 O HIS A 106 18.705 -30.141 1.570 1.00 0.00 O ATOM 1685 CB HIS A 106 17.359 -31.639 3.456 1.00 0.00 C ATOM 1686 CG HIS A 106 16.528 -32.514 4.342 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.492 -32.023 5.110 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.579 -33.844 4.585 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.941 -33.016 5.786 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.583 -34.130 5.486 1.00 0.00 N ATOM 0 H HIS A 106 16.727 -32.942 1.332 1.00 0.00 H new ATOM 0 HA HIS A 106 15.726 -30.518 2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.208 -32.213 3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.763 -30.817 4.047 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.198 -31.047 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.273 -34.549 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.108 -32.931 6.468 1.00 0.00 H new ATOM 1695 N HIS A 107 16.853 -29.229 0.673 1.00 0.00 N ATOM 1696 CA HIS A 107 17.590 -28.283 -0.176 1.00 0.00 C ATOM 1697 C HIS A 107 18.268 -27.184 0.658 1.00 0.00 C ATOM 1698 O HIS A 107 17.787 -26.826 1.735 1.00 0.00 O ATOM 1699 CB HIS A 107 16.657 -27.649 -1.212 1.00 0.00 C ATOM 1700 CG HIS A 107 16.168 -28.611 -2.251 1.00 0.00 C ATOM 1701 ND1 HIS A 107 14.928 -28.498 -2.843 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.751 -29.702 -2.800 1.00 0.00 C ATOM 1703 CE1 HIS A 107 14.771 -29.480 -3.715 1.00 0.00 C ATOM 1704 NE2 HIS A 107 15.861 -30.224 -3.706 1.00 0.00 N ATOM 0 H HIS A 107 15.838 -29.162 0.593 1.00 0.00 H new ATOM 0 HA HIS A 107 18.368 -28.846 -0.692 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.799 -27.216 -0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.180 -26.830 -1.706 1.00 0.00 H new ATOM 0 HD1 HIS A 107 14.241 -27.772 -2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.732 -30.089 -2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.899 -29.645 -4.330 1.00 0.00 H new ATOM 1709 N HIS A 108 19.388 -26.665 0.148 1.00 0.00 N ATOM 1710 CA HIS A 108 20.241 -25.731 0.898 1.00 0.00 C ATOM 1711 C HIS A 108 19.460 -24.552 1.511 1.00 0.00 C ATOM 1712 O HIS A 108 18.674 -23.886 0.836 1.00 0.00 O ATOM 1713 CB HIS A 108 21.353 -25.192 -0.007 1.00 0.00 C ATOM 1714 CG HIS A 108 22.292 -24.254 0.686 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.222 -24.681 1.611 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.445 -22.912 0.590 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.907 -23.641 2.054 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.455 -22.557 1.450 1.00 0.00 N ATOM 0 H HIS A 108 19.730 -26.877 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 108 20.666 -26.298 1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.922 -26.031 -0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.901 -24.679 -0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 108 21.879 -22.246 -0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.701 -23.672 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 108 23.800 -21.609 1.598 1.00 0.00 H new ATOM 1723 N HIS A 109 19.686 -24.320 2.802 1.00 0.00 N ATOM 1724 CA HIS A 109 19.022 -23.246 3.548 1.00 0.00 C ATOM 1725 C HIS A 109 19.846 -22.894 4.798 1.00 0.00 C ATOM 1726 O HIS A 109 20.784 -23.610 5.154 1.00 0.00 O ATOM 1727 CB HIS A 109 17.597 -23.649 3.940 1.00 0.00 C ATOM 1728 CG HIS A 109 17.540 -24.790 4.908 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.661 -26.106 4.513 1.00 0.00 N ATOM 1730 CD2 HIS A 109 17.374 -24.813 6.251 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.574 -26.890 5.574 1.00 0.00 C ATOM 1732 NE2 HIS A 109 17.400 -26.130 6.639 1.00 0.00 N ATOM 0 H HIS A 109 20.335 -24.871 3.364 1.00 0.00 H new ATOM 0 HA HIS A 109 18.955 -22.368 2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.092 -22.787 4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.045 -23.919 3.040 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.796 -26.424 3.553 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.245 -23.957 6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.635 -27.968 5.570 1.00 0.00 H new ATOM 1737 N HIS A 110 19.504 -21.795 5.462 1.00 0.00 N ATOM 1738 CA HIS A 110 20.236 -21.373 6.660 1.00 0.00 C ATOM 1739 C HIS A 110 19.282 -21.072 7.816 1.00 0.00 C ATOM 1740 O HIS A 110 18.152 -20.637 7.606 1.00 0.00 O ATOM 1741 CB HIS A 110 21.100 -20.143 6.363 1.00 0.00 C ATOM 1742 CG HIS A 110 22.172 -20.391 5.347 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.382 -20.969 5.670 1.00 0.00 N ATOM 1744 CD2 HIS A 110 22.217 -20.142 4.018 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.125 -21.064 4.582 1.00 0.00 C ATOM 1746 NE2 HIS A 110 23.442 -20.569 3.566 1.00 0.00 N ATOM 0 H HIS A 110 18.732 -21.182 5.198 1.00 0.00 H new ATOM 0 HA HIS A 110 20.884 -22.198 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.458 -19.336 6.011 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.562 -19.802 7.290 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.659 -21.275 6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.436 -19.692 3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.122 -21.476 4.532 1.00 0.00 H new ATOM 1751 N HIS A 111 19.764 -21.287 9.036 1.00 0.00 N ATOM 1752 CA HIS A 111 18.967 -21.050 10.243 1.00 0.00 C ATOM 1753 C HIS A 111 19.509 -19.825 11.015 1.00 0.00 C ATOM 1754 O HIS A 111 19.081 -18.693 10.713 1.00 0.00 O ATOM 1755 CB HIS A 111 18.964 -22.291 11.142 1.00 0.00 C ATOM 1756 CG HIS A 111 18.328 -23.491 10.511 1.00 0.00 C ATOM 1757 ND1 HIS A 111 16.981 -23.765 10.625 1.00 0.00 N ATOM 1758 CD2 HIS A 111 18.853 -24.487 9.761 1.00 0.00 C ATOM 1759 CE1 HIS A 111 16.706 -24.879 9.970 1.00 0.00 C ATOM 1760 NE2 HIS A 111 17.824 -25.337 9.439 1.00 0.00 N ATOM 1761 OXT HIS A 111 20.391 -19.995 11.882 1.00 0.00 O ATOM 0 H HIS A 111 20.708 -21.627 9.219 1.00 0.00 H new ATOM 0 HA HIS A 111 17.940 -20.844 9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 111 19.991 -22.535 11.412 1.00 0.00 H new ATOM 0 HB3 HIS A 111 18.438 -22.057 12.068 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.888 -24.594 9.470 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.732 -25.337 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 111 17.910 -26.186 8.880 1.00 0.00 H new TER 1766 HIS A 111