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= -0.0613 K(o=0.0059,f=-6.2!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0672 K(o=0.0059,f=-3.5) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.193 K(o=0.32,f=-3) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.126 K(o=0.32,f=-2.1) USER MOD Set 3.1: A 49 TYR OH : rot 69:sc= 1.03 USER MOD Set 3.2: A 106 HIS : no HD1:sc= 0.981 K(o=2,f=-2.5) USER MOD Set 4.1: A 54 ASN : amide:sc= 0.195 K(o=0.95,f=-8.3!) USER MOD Set 4.2: A 56 THR OG1 : rot -26:sc= 0.751 USER MOD Set 5.1: A 52 CYS SG : rot 170:sc= -0.249 USER MOD Set 5.2: A 88 CYS SG : rot -119:sc= -0.171 USER MOD Set 6.1: A 39 THR OG1 : rot 157:sc= 1.31 USER MOD Set 6.2: A 83 HIS : no HE2:sc= -0.37 K(o=0.94,f=-6.3!) USER MOD Set 7.1: A 24 TYR OH : rot -106:sc= 1.61 USER MOD Set 7.2: A 62 CYS SG : rot 123:sc= 0.00806 USER MOD Set 8.1: A 11 GLN : amide:sc= -0.146 K(o=0.86,f=0.069) USER MOD Set 8.2: A 19 TYR OH : rot 79:sc= 1.01 USER MOD Set 9.1: A 1 MET CE :methyl 143:sc= -0.0157 (180deg=-0.355) USER MOD Set 9.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.087 (180deg=-0.212) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.704 K(o=0.7,f=-2.5) USER MOD Single : A 6 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0.912 (180deg=0.908) USER MOD Single : A 9 ASN : amide:sc= -0.59 K(o=-0.59,f=-4.6!) USER MOD Single : A 10 TYR OH : rot -121:sc= 0.186 USER MOD Single : A 12 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.049) USER MOD Single : A 17 SER OG : rot 84:sc= 0.867 USER MOD Single : A 20 MET CE :methyl -154:sc= 0 (180deg=-0.77) USER MOD Single : A 21 SER OG : rot -77:sc= 0.392 USER MOD Single : A 22 GLN : amide:sc= 0.273 K(o=0.27,f=-6.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.4) USER MOD Single : A 34 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 35 THR OG1 : rot -77:sc= 0.2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 66:sc= 0.853 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -51:sc= 0.7 USER MOD Single : A 58 SER OG : rot 180:sc= -0.128 USER MOD Single : A 61 GLN : amide:sc=-0.00154 X(o=-0.0015,f=-0.081) USER MOD Single : A 66 THR OG1 : rot -103:sc= 0.819 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -68:sc= 0.0224 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= 0.0408 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.89 (180deg=0.834) 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= -0.121 K(o=-0.12,f=-0.66) USER MOD Single : A 98 MET CE :methyl 177:sc= -0.519 (180deg=-0.539) USER MOD Single : A 107 HIS : no HE2:sc= 0.724 K(o=0.72,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.631 -2.676 -0.914 1.00 0.00 N ATOM 2 CA MET A 1 -1.145 -4.080 -1.063 1.00 0.00 C ATOM 3 C MET A 1 -2.277 -5.029 -1.501 1.00 0.00 C ATOM 4 O MET A 1 -2.020 -6.111 -2.031 1.00 0.00 O ATOM 5 CB MET A 1 -0.533 -4.572 0.248 1.00 0.00 C ATOM 6 CG MET A 1 0.784 -3.905 0.617 1.00 0.00 C ATOM 7 SD MET A 1 1.422 -4.460 2.211 1.00 0.00 S ATOM 8 CE MET A 1 1.872 -6.150 1.827 1.00 0.00 C ATOM 0 H1 MET A 1 -0.821 -2.044 -0.752 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.128 -2.387 -1.781 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.283 -2.618 -0.106 1.00 0.00 H new ATOM 0 HA MET A 1 -0.382 -4.083 -1.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.248 -4.406 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.374 -5.648 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.522 -4.113 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.645 -2.824 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.786 -6.413 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.068 -6.819 2.133 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.037 -6.248 0.754 1.00 0.00 H new ATOM 20 N SER A 2 -3.523 -4.612 -1.287 1.00 0.00 N ATOM 21 CA SER A 2 -4.706 -5.434 -1.613 1.00 0.00 C ATOM 22 C SER A 2 -4.786 -5.805 -3.106 1.00 0.00 C ATOM 23 O SER A 2 -5.407 -6.806 -3.470 1.00 0.00 O ATOM 24 CB SER A 2 -5.967 -4.702 -1.196 1.00 0.00 C ATOM 25 OG SER A 2 -6.171 -3.534 -1.943 1.00 0.00 O ATOM 0 H SER A 2 -3.750 -3.702 -0.886 1.00 0.00 H new ATOM 0 HA SER A 2 -4.610 -6.368 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.825 -5.363 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.905 -4.449 -0.138 1.00 0.00 H new ATOM 0 HG SER A 2 -6.994 -3.094 -1.644 1.00 0.00 H new ATOM 31 N TRP A 3 -4.174 -4.994 -3.968 1.00 0.00 N ATOM 32 CA TRP A 3 -4.068 -5.329 -5.396 1.00 0.00 C ATOM 33 C TRP A 3 -3.421 -6.705 -5.631 1.00 0.00 C ATOM 34 O TRP A 3 -3.694 -7.359 -6.641 1.00 0.00 O ATOM 35 CB TRP A 3 -3.270 -4.249 -6.130 1.00 0.00 C ATOM 36 CG TRP A 3 -1.838 -4.169 -5.699 1.00 0.00 C ATOM 37 CD1 TRP A 3 -1.325 -3.374 -4.718 1.00 0.00 C ATOM 38 CD2 TRP A 3 -0.733 -4.910 -6.234 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.029 -3.571 -4.608 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.416 -4.512 -5.529 1.00 0.00 C ATOM 41 CE3 TRP A 3 -0.609 -5.872 -7.243 1.00 0.00 C ATOM 42 CZ2 TRP A 3 1.670 -5.037 -5.797 1.00 0.00 C ATOM 43 CZ3 TRP A 3 0.649 -6.400 -7.510 1.00 0.00 C ATOM 44 CH2 TRP A 3 1.755 -5.994 -6.808 1.00 0.00 C ATOM 0 H TRP A 3 -3.745 -4.105 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 3 -5.083 -5.375 -5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.308 -4.445 -7.202 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.745 -3.282 -5.966 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.901 -2.688 -4.114 1.00 0.00 H new ATOM 0 HE1 TRP A 3 0.646 -3.096 -3.950 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.473 -6.198 -7.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.543 -4.719 -5.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.757 -7.144 -8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.716 -6.426 -7.044 1.00 0.00 H new ATOM 55 N MET A 4 -2.581 -7.152 -4.697 1.00 0.00 N ATOM 56 CA MET A 4 -1.874 -8.428 -4.864 1.00 0.00 C ATOM 57 C MET A 4 -2.886 -9.582 -4.961 1.00 0.00 C ATOM 58 O MET A 4 -2.813 -10.422 -5.865 1.00 0.00 O ATOM 59 CB MET A 4 -0.905 -8.658 -3.706 1.00 0.00 C ATOM 60 CG MET A 4 0.267 -7.688 -3.662 1.00 0.00 C ATOM 61 SD MET A 4 1.353 -7.972 -2.251 1.00 0.00 S ATOM 62 CE MET A 4 2.417 -6.534 -2.348 1.00 0.00 C ATOM 0 H MET A 4 -2.373 -6.660 -3.828 1.00 0.00 H new ATOM 0 HA MET A 4 -1.297 -8.392 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.456 -8.586 -2.768 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.517 -9.675 -3.770 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.843 -7.779 -4.583 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.113 -6.667 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.146 -6.565 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.938 -6.531 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.815 -5.629 -2.260 1.00 0.00 H new ATOM 72 N GLN A 5 -3.823 -9.621 -4.008 1.00 0.00 N ATOM 73 CA GLN A 5 -4.917 -10.601 -4.026 1.00 0.00 C ATOM 74 C GLN A 5 -5.867 -10.354 -5.206 1.00 0.00 C ATOM 75 O GLN A 5 -6.343 -11.295 -5.832 1.00 0.00 O ATOM 76 CB GLN A 5 -5.721 -10.539 -2.713 1.00 0.00 C ATOM 77 CG GLN A 5 -4.995 -11.119 -1.509 1.00 0.00 C ATOM 78 CD GLN A 5 -5.760 -10.940 -0.204 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.792 -10.278 -0.155 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.275 -11.549 0.861 1.00 0.00 N ATOM 0 H GLN A 5 -3.847 -8.984 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.467 -11.588 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.975 -9.500 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.660 -11.075 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.818 -12.181 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.018 -10.644 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.415 -12.093 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.760 -11.476 1.755 1.00 0.00 H new ATOM 89 N ASN A 6 -6.111 -9.076 -5.505 1.00 0.00 N ATOM 90 CA ASN A 6 -7.019 -8.665 -6.592 1.00 0.00 C ATOM 91 C ASN A 6 -6.561 -9.186 -7.965 1.00 0.00 C ATOM 92 O ASN A 6 -7.367 -9.316 -8.887 1.00 0.00 O ATOM 93 CB ASN A 6 -7.171 -7.155 -6.636 1.00 0.00 C ATOM 94 CG ASN A 6 -7.997 -6.598 -5.509 1.00 0.00 C ATOM 95 OD1 ASN A 6 -8.777 -7.314 -4.871 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.890 -5.307 -5.317 1.00 0.00 N ATOM 0 H ASN A 6 -5.688 -8.294 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.988 -9.114 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.182 -6.698 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.628 -6.872 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.467 -4.847 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.230 -4.762 -5.871 1.00 0.00 H new ATOM 103 N LEU A 7 -5.271 -9.474 -8.097 1.00 0.00 N ATOM 104 CA LEU A 7 -4.743 -10.083 -9.323 1.00 0.00 C ATOM 105 C LEU A 7 -4.664 -11.614 -9.194 1.00 0.00 C ATOM 106 O LEU A 7 -5.297 -12.348 -9.952 1.00 0.00 O ATOM 107 CB LEU A 7 -3.361 -9.501 -9.648 1.00 0.00 C ATOM 108 CG LEU A 7 -3.349 -8.013 -10.018 1.00 0.00 C ATOM 109 CD1 LEU A 7 -1.922 -7.549 -10.270 1.00 0.00 C ATOM 110 CD2 LEU A 7 -4.215 -7.788 -11.249 1.00 0.00 C ATOM 0 H LEU A 7 -4.570 -9.299 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.427 -9.851 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.710 -9.650 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.931 -10.068 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.756 -7.430 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.924 -6.491 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.326 -7.698 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.492 -8.125 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.206 -6.730 -11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.823 -8.372 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.237 -8.101 -11.037 1.00 0.00 H new ATOM 122 N LYS A 8 -3.899 -12.078 -8.205 1.00 0.00 N ATOM 123 CA LYS A 8 -3.529 -13.496 -8.070 1.00 0.00 C ATOM 124 C LYS A 8 -4.741 -14.432 -7.790 1.00 0.00 C ATOM 125 O LYS A 8 -4.612 -15.653 -7.881 1.00 0.00 O ATOM 126 CB LYS A 8 -2.487 -13.648 -6.961 1.00 0.00 C ATOM 127 CG LYS A 8 -3.044 -13.494 -5.551 1.00 0.00 C ATOM 128 CD LYS A 8 -1.932 -13.513 -4.512 1.00 0.00 C ATOM 129 CE LYS A 8 -2.478 -13.284 -3.111 1.00 0.00 C ATOM 130 NZ LYS A 8 -1.411 -13.359 -2.078 1.00 0.00 N ATOM 0 H LYS A 8 -3.515 -11.483 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.117 -13.806 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.020 -14.629 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.702 -12.907 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.598 -12.558 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.750 -14.299 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.413 -14.471 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.198 -12.743 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.959 -12.307 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.245 -14.028 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.820 -13.164 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.991 -14.311 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.675 -12.655 -2.288 1.00 0.00 H new ATOM 144 N ASN A 9 -5.909 -13.872 -7.441 1.00 0.00 N ATOM 145 CA ASN A 9 -7.112 -14.689 -7.188 1.00 0.00 C ATOM 146 C ASN A 9 -7.697 -15.253 -8.490 1.00 0.00 C ATOM 147 O ASN A 9 -8.545 -16.145 -8.465 1.00 0.00 O ATOM 148 CB ASN A 9 -8.171 -13.899 -6.441 1.00 0.00 C ATOM 149 CG ASN A 9 -7.863 -13.700 -4.984 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.970 -14.346 -4.423 1.00 0.00 O ATOM 151 ND2 ASN A 9 -8.651 -12.871 -4.348 1.00 0.00 N ATOM 0 H ASN A 9 -6.049 -12.868 -7.328 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.799 -15.526 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.286 -12.924 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.128 -14.413 -6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.543 -12.734 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.373 -12.361 -4.857 1.00 0.00 H new ATOM 158 N TYR A 10 -7.247 -14.717 -9.622 1.00 0.00 N ATOM 159 CA TYR A 10 -7.682 -15.200 -10.936 1.00 0.00 C ATOM 160 C TYR A 10 -6.667 -14.862 -12.034 1.00 0.00 C ATOM 161 O TYR A 10 -5.964 -13.853 -11.963 1.00 0.00 O ATOM 162 CB TYR A 10 -9.050 -14.611 -11.291 1.00 0.00 C ATOM 163 CG TYR A 10 -9.088 -13.099 -11.273 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.699 -12.363 -12.382 1.00 0.00 C ATOM 165 CD2 TYR A 10 -9.517 -12.412 -10.146 1.00 0.00 C ATOM 166 CE1 TYR A 10 -8.732 -10.981 -12.371 1.00 0.00 C ATOM 167 CE2 TYR A 10 -9.555 -11.031 -10.124 1.00 0.00 C ATOM 168 CZ TYR A 10 -9.162 -10.319 -11.238 1.00 0.00 C ATOM 169 OH TYR A 10 -9.198 -8.944 -11.222 1.00 0.00 O ATOM 0 H TYR A 10 -6.580 -13.946 -9.659 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.758 -16.286 -10.876 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.339 -14.960 -12.282 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.792 -14.992 -10.589 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.364 -12.879 -13.270 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.826 -12.966 -9.272 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.424 -10.423 -13.243 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.891 -10.512 -9.239 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.627 -8.610 -10.499 1.00 0.00 H new ATOM 179 N GLN A 11 -6.607 -15.711 -13.056 1.00 0.00 N ATOM 180 CA GLN A 11 -5.711 -15.494 -14.191 1.00 0.00 C ATOM 181 C GLN A 11 -6.483 -14.926 -15.394 1.00 0.00 C ATOM 182 O GLN A 11 -6.870 -15.666 -16.303 1.00 0.00 O ATOM 183 CB GLN A 11 -5.017 -16.800 -14.582 1.00 0.00 C ATOM 184 CG GLN A 11 -3.940 -16.640 -15.642 1.00 0.00 C ATOM 185 CD GLN A 11 -2.793 -15.764 -15.175 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.366 -15.841 -14.019 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.291 -14.921 -16.069 1.00 0.00 N ATOM 0 H GLN A 11 -7.170 -16.559 -13.123 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.954 -14.769 -13.892 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.571 -17.242 -13.691 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.767 -17.502 -14.945 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.555 -17.622 -15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.380 -16.208 -16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.675 -14.891 -17.014 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.521 -14.303 -15.811 1.00 0.00 H new ATOM 196 N HIS A 12 -6.730 -13.617 -15.393 1.00 0.00 N ATOM 197 CA HIS A 12 -7.361 -12.958 -16.546 1.00 0.00 C ATOM 198 C HIS A 12 -6.397 -12.031 -17.307 1.00 0.00 C ATOM 199 O HIS A 12 -6.789 -11.407 -18.292 1.00 0.00 O ATOM 200 CB HIS A 12 -8.590 -12.163 -16.093 1.00 0.00 C ATOM 201 CG HIS A 12 -9.739 -13.022 -15.665 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.840 -12.517 -15.006 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.958 -14.350 -15.802 1.00 0.00 C ATOM 204 CE1 HIS A 12 -11.688 -13.499 -14.756 1.00 0.00 C ATOM 205 NE2 HIS A 12 -11.176 -14.622 -15.229 1.00 0.00 N ATOM 0 H HIS A 12 -6.507 -12.993 -14.617 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.659 -13.749 -17.234 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.306 -11.513 -15.266 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.915 -11.517 -16.909 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.298 -15.063 -16.274 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.638 -13.401 -14.251 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.614 -15.541 -15.177 1.00 0.00 H new ATOM 210 N LEU A 13 -5.144 -11.939 -16.871 1.00 0.00 N ATOM 211 CA LEU A 13 -4.187 -11.038 -17.521 1.00 0.00 C ATOM 212 C LEU A 13 -2.736 -11.510 -17.306 1.00 0.00 C ATOM 213 O LEU A 13 -2.464 -12.299 -16.402 1.00 0.00 O ATOM 214 CB LEU A 13 -4.368 -9.609 -16.994 1.00 0.00 C ATOM 215 CG LEU A 13 -3.894 -9.379 -15.553 1.00 0.00 C ATOM 216 CD1 LEU A 13 -3.857 -7.888 -15.247 1.00 0.00 C ATOM 217 CD2 LEU A 13 -4.825 -10.104 -14.592 1.00 0.00 C ATOM 0 H LEU A 13 -4.768 -12.467 -16.083 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.385 -11.051 -18.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.829 -8.926 -17.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.424 -9.346 -17.059 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.886 -9.776 -15.433 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.519 -7.735 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.170 -7.393 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.855 -7.467 -15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.489 -9.941 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.838 -9.719 -14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.815 -11.172 -14.812 1.00 0.00 H new ATOM 229 N ARG A 14 -1.813 -11.050 -18.153 1.00 0.00 N ATOM 230 CA ARG A 14 -0.415 -11.505 -18.099 1.00 0.00 C ATOM 231 C ARG A 14 0.481 -10.585 -17.250 1.00 0.00 C ATOM 232 O ARG A 14 1.701 -10.597 -17.417 1.00 0.00 O ATOM 233 CB ARG A 14 0.165 -11.698 -19.492 1.00 0.00 C ATOM 234 CG ARG A 14 -0.463 -12.827 -20.295 1.00 0.00 C ATOM 235 CD ARG A 14 0.145 -13.039 -21.633 1.00 0.00 C ATOM 236 NE ARG A 14 -0.443 -14.126 -22.398 1.00 0.00 N ATOM 237 CZ ARG A 14 -0.101 -14.446 -23.661 1.00 0.00 C ATOM 238 NH1 ARG A 14 0.796 -13.745 -24.318 1.00 0.00 N ATOM 239 NH2 ARG A 14 -0.710 -15.471 -24.232 1.00 0.00 N ATOM 0 H ARG A 14 -2.004 -10.365 -18.884 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.431 -12.474 -17.601 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.051 -10.768 -20.049 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.235 -11.887 -19.402 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.384 -13.751 -19.723 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.526 -12.620 -20.421 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.056 -12.117 -22.208 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.210 -13.235 -21.507 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.166 -14.686 -21.946 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.245 -12.945 -23.872 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.043 -14.001 -25.274 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.417 -15.995 -23.717 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.473 -15.738 -25.187 1.00 0.00 H new ATOM 253 N ASP A 15 -0.099 -9.811 -16.333 1.00 0.00 N ATOM 254 CA ASP A 15 0.695 -8.874 -15.519 1.00 0.00 C ATOM 255 C ASP A 15 1.689 -9.594 -14.591 1.00 0.00 C ATOM 256 O ASP A 15 1.289 -10.297 -13.668 1.00 0.00 O ATOM 257 CB ASP A 15 -0.231 -7.980 -14.690 1.00 0.00 C ATOM 258 CG ASP A 15 0.484 -6.885 -13.911 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.692 -6.873 -13.914 1.00 0.00 O ATOM 260 OD2 ASP A 15 -0.175 -5.983 -13.450 1.00 0.00 O ATOM 0 H ASP A 15 -1.099 -9.809 -16.132 1.00 0.00 H new ATOM 0 HA ASP A 15 1.277 -8.266 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.961 -7.518 -15.355 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.787 -8.604 -13.990 1.00 0.00 H new ATOM 265 N PRO A 16 3.012 -9.380 -14.789 1.00 0.00 N ATOM 266 CA PRO A 16 4.055 -10.011 -13.955 1.00 0.00 C ATOM 267 C PRO A 16 3.923 -9.648 -12.467 1.00 0.00 C ATOM 268 O PRO A 16 4.402 -10.372 -11.594 1.00 0.00 O ATOM 269 CB PRO A 16 5.366 -9.490 -14.552 1.00 0.00 C ATOM 270 CG PRO A 16 5.022 -9.146 -15.961 1.00 0.00 C ATOM 271 CD PRO A 16 3.616 -8.610 -15.909 1.00 0.00 C ATOM 0 HA PRO A 16 3.986 -11.099 -13.970 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.731 -8.619 -14.008 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.150 -10.245 -14.508 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.711 -8.404 -16.364 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.085 -10.022 -16.606 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.599 -7.537 -15.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.085 -8.775 -16.846 1.00 0.00 H new ATOM 279 N SER A 17 3.267 -8.519 -12.188 1.00 0.00 N ATOM 280 CA SER A 17 3.214 -7.952 -10.833 1.00 0.00 C ATOM 281 C SER A 17 2.687 -8.967 -9.806 1.00 0.00 C ATOM 282 O SER A 17 3.179 -9.030 -8.682 1.00 0.00 O ATOM 283 CB SER A 17 2.352 -6.704 -10.828 1.00 0.00 C ATOM 284 OG SER A 17 2.864 -5.706 -11.666 1.00 0.00 O ATOM 0 H SER A 17 2.761 -7.974 -12.886 1.00 0.00 H new ATOM 0 HA SER A 17 4.232 -7.692 -10.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.342 -6.961 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.278 -6.320 -9.811 1.00 0.00 H new ATOM 0 HG SER A 17 2.573 -5.871 -12.587 1.00 0.00 H new ATOM 290 N GLU A 18 1.690 -9.763 -10.196 1.00 0.00 N ATOM 291 CA GLU A 18 1.047 -10.706 -9.274 1.00 0.00 C ATOM 292 C GLU A 18 2.038 -11.821 -8.861 1.00 0.00 C ATOM 293 O GLU A 18 1.909 -12.434 -7.794 1.00 0.00 O ATOM 294 CB GLU A 18 -0.204 -11.313 -9.914 1.00 0.00 C ATOM 295 CG GLU A 18 0.078 -12.262 -11.069 1.00 0.00 C ATOM 296 CD GLU A 18 -1.195 -12.821 -11.641 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.245 -12.464 -11.162 1.00 0.00 O ATOM 298 OE2 GLU A 18 -1.126 -13.516 -12.627 1.00 0.00 O ATOM 0 H GLU A 18 1.309 -9.775 -11.142 1.00 0.00 H new ATOM 0 HA GLU A 18 0.747 -10.161 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.765 -11.849 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.843 -10.505 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.629 -11.736 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.714 -13.078 -10.725 1.00 0.00 H new ATOM 305 N TYR A 19 3.059 -12.039 -9.690 1.00 0.00 N ATOM 306 CA TYR A 19 4.046 -13.100 -9.448 1.00 0.00 C ATOM 307 C TYR A 19 5.276 -12.554 -8.711 1.00 0.00 C ATOM 308 O TYR A 19 5.909 -13.254 -7.925 1.00 0.00 O ATOM 309 CB TYR A 19 4.491 -13.727 -10.770 1.00 0.00 C ATOM 310 CG TYR A 19 3.352 -14.235 -11.634 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.674 -15.405 -11.315 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.972 -13.554 -12.783 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.658 -15.882 -12.119 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.953 -14.023 -13.587 1.00 0.00 C ATOM 315 CZ TYR A 19 1.301 -15.188 -13.254 1.00 0.00 C ATOM 316 OH TYR A 19 0.292 -15.663 -14.062 1.00 0.00 O ATOM 0 H TYR A 19 3.227 -11.496 -10.537 1.00 0.00 H new ATOM 0 HA TYR A 19 3.569 -13.857 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.059 -12.989 -11.336 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.167 -14.555 -10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.946 -15.950 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.483 -12.641 -13.052 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.145 -16.796 -11.859 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.668 -13.477 -14.475 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.576 -15.443 -13.665 1.00 0.00 H new ATOM 326 N MET A 20 5.618 -11.298 -8.976 1.00 0.00 N ATOM 327 CA MET A 20 6.701 -10.626 -8.252 1.00 0.00 C ATOM 328 C MET A 20 6.277 -10.355 -6.798 1.00 0.00 C ATOM 329 O MET A 20 7.102 -10.322 -5.887 1.00 0.00 O ATOM 330 CB MET A 20 7.083 -9.323 -8.953 1.00 0.00 C ATOM 331 CG MET A 20 7.768 -9.510 -10.299 1.00 0.00 C ATOM 332 SD MET A 20 8.430 -7.968 -10.962 1.00 0.00 S ATOM 333 CE MET A 20 6.923 -7.147 -11.475 1.00 0.00 C ATOM 0 H MET A 20 5.164 -10.722 -9.685 1.00 0.00 H new ATOM 0 HA MET A 20 7.575 -11.278 -8.243 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.183 -8.725 -9.097 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.743 -8.753 -8.299 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.577 -10.233 -10.193 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.056 -9.930 -11.009 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.146 -6.448 -12.281 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.206 -7.889 -11.826 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.499 -6.604 -10.630 1.00 0.00 H new ATOM 343 N SER A 21 4.974 -10.154 -6.602 1.00 0.00 N ATOM 344 CA SER A 21 4.396 -9.980 -5.263 1.00 0.00 C ATOM 345 C SER A 21 4.105 -11.341 -4.615 1.00 0.00 C ATOM 346 O SER A 21 4.096 -11.462 -3.392 1.00 0.00 O ATOM 347 CB SER A 21 3.132 -9.148 -5.341 1.00 0.00 C ATOM 348 OG SER A 21 2.110 -9.807 -6.036 1.00 0.00 O ATOM 0 H SER A 21 4.291 -10.107 -7.358 1.00 0.00 H new ATOM 0 HA SER A 21 5.121 -9.456 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.791 -8.912 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.352 -8.200 -5.833 1.00 0.00 H new ATOM 0 HG SER A 21 2.286 -9.760 -6.999 1.00 0.00 H new ATOM 354 N GLN A 22 3.846 -12.358 -5.447 1.00 0.00 N ATOM 355 CA GLN A 22 3.761 -13.752 -4.975 1.00 0.00 C ATOM 356 C GLN A 22 5.080 -14.198 -4.318 1.00 0.00 C ATOM 357 O GLN A 22 5.115 -14.573 -3.142 1.00 0.00 O ATOM 358 CB GLN A 22 3.418 -14.692 -6.136 1.00 0.00 C ATOM 359 CG GLN A 22 3.319 -16.156 -5.743 1.00 0.00 C ATOM 360 CD GLN A 22 3.223 -17.072 -6.948 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.175 -16.613 -8.092 1.00 0.00 O ATOM 362 NE2 GLN A 22 3.190 -18.376 -6.697 1.00 0.00 N ATOM 0 H GLN A 22 3.691 -12.245 -6.449 1.00 0.00 H new ATOM 0 HA GLN A 22 2.969 -13.801 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.470 -14.380 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.177 -14.586 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.192 -16.430 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.444 -16.301 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.232 -18.711 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.122 -19.042 -7.467 1.00 0.00 H new ATOM 371 N VAL A 23 6.164 -14.160 -5.087 1.00 0.00 N ATOM 372 CA VAL A 23 7.493 -14.482 -4.564 1.00 0.00 C ATOM 373 C VAL A 23 8.532 -13.422 -4.971 1.00 0.00 C ATOM 374 O VAL A 23 8.884 -13.281 -6.141 1.00 0.00 O ATOM 375 CB VAL A 23 7.966 -15.865 -5.050 1.00 0.00 C ATOM 376 CG1 VAL A 23 9.344 -16.184 -4.492 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.968 -16.941 -4.650 1.00 0.00 C ATOM 0 H VAL A 23 6.151 -13.910 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 23 7.407 -14.495 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 23 8.031 -15.843 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.662 -17.165 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.056 -15.429 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.304 -16.187 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.319 -17.911 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.871 -16.962 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.998 -16.722 -5.097 1.00 0.00 H new ATOM 387 N TYR A 24 9.021 -12.682 -3.979 1.00 0.00 N ATOM 388 CA TYR A 24 10.061 -11.667 -4.195 1.00 0.00 C ATOM 389 C TYR A 24 11.478 -12.253 -4.022 1.00 0.00 C ATOM 390 O TYR A 24 12.466 -11.516 -4.024 1.00 0.00 O ATOM 391 CB TYR A 24 9.860 -10.492 -3.235 1.00 0.00 C ATOM 392 CG TYR A 24 9.884 -10.884 -1.773 1.00 0.00 C ATOM 393 CD1 TYR A 24 11.082 -10.996 -1.085 1.00 0.00 C ATOM 394 CD2 TYR A 24 8.706 -11.138 -1.086 1.00 0.00 C ATOM 395 CE1 TYR A 24 11.110 -11.354 0.249 1.00 0.00 C ATOM 396 CE2 TYR A 24 8.721 -11.495 0.247 1.00 0.00 C ATOM 397 CZ TYR A 24 9.926 -11.602 0.912 1.00 0.00 C ATOM 398 OH TYR A 24 9.947 -11.957 2.241 1.00 0.00 O ATOM 0 H TYR A 24 8.714 -12.764 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 24 9.969 -11.316 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.639 -9.751 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.906 -10.013 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.010 -10.800 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.761 -11.055 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.053 -11.439 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.795 -11.690 0.767 1.00 0.00 H new ATOM 0 HH TYR A 24 9.745 -12.912 2.328 1.00 0.00 H new ATOM 408 N GLY A 25 11.575 -13.575 -3.884 1.00 0.00 N ATOM 409 CA GLY A 25 12.878 -14.232 -3.792 1.00 0.00 C ATOM 410 C GLY A 25 13.465 -14.690 -5.128 1.00 0.00 C ATOM 411 O GLY A 25 13.377 -13.985 -6.136 1.00 0.00 O ATOM 0 H GLY A 25 10.776 -14.207 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.581 -13.547 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.786 -15.098 -3.136 1.00 0.00 H new ATOM 415 N ASP A 26 14.073 -15.879 -5.121 1.00 0.00 N ATOM 416 CA ASP A 26 14.737 -16.446 -6.302 1.00 0.00 C ATOM 417 C ASP A 26 13.950 -16.212 -7.610 1.00 0.00 C ATOM 418 O ASP A 26 12.750 -16.490 -7.688 1.00 0.00 O ATOM 419 CB ASP A 26 14.966 -17.946 -6.097 1.00 0.00 C ATOM 420 CG ASP A 26 16.094 -18.284 -5.132 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.971 -17.470 -4.965 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.990 -19.277 -4.452 1.00 0.00 O ATOM 0 H ASP A 26 14.120 -16.478 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 26 15.690 -15.927 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.043 -18.395 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.181 -18.404 -7.063 1.00 0.00 H new ATOM 427 N PRO A 27 14.638 -15.698 -8.658 1.00 0.00 N ATOM 428 CA PRO A 27 14.030 -15.415 -9.977 1.00 0.00 C ATOM 429 C PRO A 27 13.240 -16.591 -10.572 1.00 0.00 C ATOM 430 O PRO A 27 12.195 -16.389 -11.193 1.00 0.00 O ATOM 431 CB PRO A 27 15.233 -15.051 -10.852 1.00 0.00 C ATOM 432 CG PRO A 27 16.220 -14.465 -9.901 1.00 0.00 C ATOM 433 CD PRO A 27 16.076 -15.263 -8.634 1.00 0.00 C ATOM 0 HA PRO A 27 13.281 -14.626 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.639 -15.929 -11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.958 -14.338 -11.629 1.00 0.00 H new ATOM 0 HG2 PRO A 27 17.234 -14.533 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.017 -13.409 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.754 -16.117 -8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.299 -14.662 -7.753 1.00 0.00 H new ATOM 441 N LEU A 28 13.743 -17.812 -10.371 1.00 0.00 N ATOM 442 CA LEU A 28 13.183 -19.018 -11.007 1.00 0.00 C ATOM 443 C LEU A 28 11.728 -19.265 -10.569 1.00 0.00 C ATOM 444 O LEU A 28 10.915 -19.766 -11.348 1.00 0.00 O ATOM 445 CB LEU A 28 14.051 -20.239 -10.677 1.00 0.00 C ATOM 446 CG LEU A 28 15.462 -20.218 -11.280 1.00 0.00 C ATOM 447 CD1 LEU A 28 16.271 -21.396 -10.754 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.368 -20.263 -12.798 1.00 0.00 C ATOM 0 H LEU A 28 14.544 -17.997 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 28 13.182 -18.858 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.137 -20.322 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.537 -21.135 -11.025 1.00 0.00 H new ATOM 0 HG LEU A 28 15.969 -19.298 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.271 -21.373 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.344 -21.331 -9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.778 -22.328 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.371 -20.248 -13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.857 -21.176 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.809 -19.397 -13.154 1.00 0.00 H new ATOM 460 N ALA A 29 11.408 -18.886 -9.334 1.00 0.00 N ATOM 461 CA ALA A 29 10.079 -19.122 -8.764 1.00 0.00 C ATOM 462 C ALA A 29 8.964 -18.409 -9.558 1.00 0.00 C ATOM 463 O ALA A 29 8.145 -19.059 -10.213 1.00 0.00 O ATOM 464 CB ALA A 29 10.057 -18.689 -7.303 1.00 0.00 C ATOM 0 H ALA A 29 12.054 -18.411 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 29 9.878 -20.191 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.066 -18.867 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.795 -19.262 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.294 -17.627 -7.235 1.00 0.00 H new ATOM 470 N TYR A 30 8.955 -17.076 -9.523 1.00 0.00 N ATOM 471 CA TYR A 30 7.917 -16.301 -10.218 1.00 0.00 C ATOM 472 C TYR A 30 8.133 -16.276 -11.742 1.00 0.00 C ATOM 473 O TYR A 30 7.210 -15.983 -12.497 1.00 0.00 O ATOM 474 CB TYR A 30 7.874 -14.870 -9.677 1.00 0.00 C ATOM 475 CG TYR A 30 9.163 -14.103 -9.871 1.00 0.00 C ATOM 476 CD1 TYR A 30 9.423 -13.433 -11.058 1.00 0.00 C ATOM 477 CD2 TYR A 30 10.117 -14.049 -8.864 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.599 -12.731 -11.240 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.296 -13.350 -9.035 1.00 0.00 C ATOM 480 CZ TYR A 30 11.533 -12.692 -10.225 1.00 0.00 C ATOM 481 OH TYR A 30 12.706 -11.994 -10.400 1.00 0.00 O ATOM 0 H TYR A 30 9.645 -16.512 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 30 6.964 -16.795 -10.027 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.064 -14.330 -10.168 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.638 -14.901 -8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.693 -13.461 -11.854 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.934 -14.562 -7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.786 -12.216 -12.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.028 -13.318 -8.242 1.00 0.00 H new ATOM 0 HH TYR A 30 13.253 -12.066 -9.590 1.00 0.00 H new ATOM 491 N LEU A 31 9.351 -16.583 -12.191 1.00 0.00 N ATOM 492 CA LEU A 31 9.627 -16.743 -13.626 1.00 0.00 C ATOM 493 C LEU A 31 8.842 -17.928 -14.213 1.00 0.00 C ATOM 494 O LEU A 31 8.117 -17.785 -15.204 1.00 0.00 O ATOM 495 CB LEU A 31 11.132 -16.929 -13.859 1.00 0.00 C ATOM 496 CG LEU A 31 11.542 -17.160 -15.320 1.00 0.00 C ATOM 497 CD1 LEU A 31 11.168 -15.949 -16.164 1.00 0.00 C ATOM 498 CD2 LEU A 31 13.039 -17.426 -15.391 1.00 0.00 C ATOM 0 H LEU A 31 10.161 -16.726 -11.588 1.00 0.00 H new ATOM 0 HA LEU A 31 9.300 -15.838 -14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.653 -16.047 -13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.474 -17.776 -13.264 1.00 0.00 H new ATOM 0 HG LEU A 31 11.013 -18.027 -15.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.463 -16.122 -17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.091 -15.790 -16.115 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.683 -15.067 -15.783 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.331 -17.590 -16.428 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.580 -16.568 -14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.280 -18.311 -14.802 1.00 0.00 H new ATOM 510 N GLN A 32 8.975 -19.097 -13.584 1.00 0.00 N ATOM 511 CA GLN A 32 8.272 -20.296 -14.045 1.00 0.00 C ATOM 512 C GLN A 32 6.757 -20.157 -13.852 1.00 0.00 C ATOM 513 O GLN A 32 5.981 -20.632 -14.676 1.00 0.00 O ATOM 514 CB GLN A 32 8.780 -21.532 -13.299 1.00 0.00 C ATOM 515 CG GLN A 32 10.217 -21.906 -13.618 1.00 0.00 C ATOM 516 CD GLN A 32 10.420 -22.218 -15.089 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.617 -22.923 -15.705 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.501 -21.697 -15.660 1.00 0.00 N ATOM 0 H GLN A 32 9.559 -19.239 -12.760 1.00 0.00 H new ATOM 0 HA GLN A 32 8.474 -20.413 -15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.692 -21.357 -12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.135 -22.377 -13.538 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.876 -21.087 -13.329 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.505 -22.772 -13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.139 -21.119 -15.112 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.693 -21.875 -16.646 1.00 0.00 H new ATOM 527 N GLU A 33 6.340 -19.492 -12.774 1.00 0.00 N ATOM 528 CA GLU A 33 4.911 -19.261 -12.521 1.00 0.00 C ATOM 529 C GLU A 33 4.314 -18.294 -13.565 1.00 0.00 C ATOM 530 O GLU A 33 3.183 -18.476 -14.019 1.00 0.00 O ATOM 531 CB GLU A 33 4.700 -18.712 -11.109 1.00 0.00 C ATOM 532 CG GLU A 33 3.300 -18.926 -10.553 1.00 0.00 C ATOM 533 CD GLU A 33 3.150 -20.301 -9.963 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.233 -21.254 -10.700 1.00 0.00 O ATOM 535 OE2 GLU A 33 3.067 -20.404 -8.762 1.00 0.00 O ATOM 0 H GLU A 33 6.963 -19.105 -12.065 1.00 0.00 H new ATOM 0 HA GLU A 33 4.394 -20.217 -12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.420 -19.182 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.917 -17.644 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.091 -18.176 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.566 -18.787 -11.347 1.00 0.00 H new ATOM 542 N THR A 34 5.089 -17.283 -13.965 1.00 0.00 N ATOM 543 CA THR A 34 4.647 -16.318 -14.992 1.00 0.00 C ATOM 544 C THR A 34 4.465 -16.996 -16.359 1.00 0.00 C ATOM 545 O THR A 34 3.506 -16.721 -17.085 1.00 0.00 O ATOM 546 CB THR A 34 5.642 -15.154 -15.142 1.00 0.00 C ATOM 547 OG1 THR A 34 5.729 -14.433 -13.906 1.00 0.00 O ATOM 548 CG2 THR A 34 5.195 -14.207 -16.245 1.00 0.00 C ATOM 0 H THR A 34 6.024 -17.106 -13.599 1.00 0.00 H new ATOM 0 HA THR A 34 3.688 -15.926 -14.654 1.00 0.00 H new ATOM 0 HB THR A 34 6.618 -15.563 -15.402 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.524 -14.724 -13.413 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.911 -13.390 -16.336 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.140 -14.748 -17.189 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.213 -13.802 -16.001 1.00 0.00 H new ATOM 556 N THR A 35 5.400 -17.875 -16.707 1.00 0.00 N ATOM 557 CA THR A 35 5.437 -18.490 -18.045 1.00 0.00 C ATOM 558 C THR A 35 4.611 -19.793 -18.118 1.00 0.00 C ATOM 559 O THR A 35 4.140 -20.184 -19.192 1.00 0.00 O ATOM 560 CB THR A 35 6.883 -18.793 -18.478 1.00 0.00 C ATOM 561 OG1 THR A 35 7.476 -19.715 -17.554 1.00 0.00 O ATOM 562 CG2 THR A 35 7.708 -17.517 -18.514 1.00 0.00 C ATOM 0 H THR A 35 6.147 -18.183 -16.085 1.00 0.00 H new ATOM 0 HA THR A 35 4.993 -17.761 -18.723 1.00 0.00 H new ATOM 0 HB THR A 35 6.864 -19.229 -19.477 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.724 -19.241 -16.733 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.727 -17.751 -18.822 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.266 -16.818 -19.224 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.724 -17.066 -17.522 1.00 0.00 H new ATOM 570 N LYS A 36 4.415 -20.456 -16.977 1.00 0.00 N ATOM 571 CA LYS A 36 3.683 -21.733 -16.940 1.00 0.00 C ATOM 572 C LYS A 36 2.422 -21.680 -16.046 1.00 0.00 C ATOM 573 O LYS A 36 1.367 -22.196 -16.428 1.00 0.00 O ATOM 574 CB LYS A 36 4.611 -22.849 -16.459 1.00 0.00 C ATOM 575 CG LYS A 36 5.843 -23.061 -17.330 1.00 0.00 C ATOM 576 CD LYS A 36 5.474 -23.685 -18.668 1.00 0.00 C ATOM 577 CE LYS A 36 6.711 -23.976 -19.504 1.00 0.00 C ATOM 578 NZ LYS A 36 6.361 -24.502 -20.851 1.00 0.00 N ATOM 0 H LYS A 36 4.749 -20.136 -16.068 1.00 0.00 H new ATOM 0 HA LYS A 36 3.345 -21.934 -17.956 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.934 -22.624 -15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.047 -23.781 -16.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.342 -22.106 -17.497 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.552 -23.704 -16.810 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.921 -24.609 -18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.813 -23.013 -19.215 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.298 -23.064 -19.612 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.338 -24.700 -18.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.232 -24.687 -21.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.822 -25.386 -20.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.784 -23.801 -21.358 1.00 0.00 H new ATOM 592 N PHE A 37 2.551 -21.081 -14.854 1.00 0.00 N ATOM 593 CA PHE A 37 1.442 -20.954 -13.879 1.00 0.00 C ATOM 594 C PHE A 37 1.074 -22.325 -13.262 1.00 0.00 C ATOM 595 O PHE A 37 -0.002 -22.502 -12.677 1.00 0.00 O ATOM 596 CB PHE A 37 0.215 -20.331 -14.545 1.00 0.00 C ATOM 597 CG PHE A 37 -0.825 -19.851 -13.571 1.00 0.00 C ATOM 598 CD1 PHE A 37 -0.645 -18.668 -12.870 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.984 -20.581 -13.356 1.00 0.00 C ATOM 600 CE1 PHE A 37 -1.600 -18.226 -11.975 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.940 -20.142 -12.463 1.00 0.00 C ATOM 602 CZ PHE A 37 -2.748 -18.962 -11.771 1.00 0.00 C ATOM 0 H PHE A 37 3.426 -20.668 -14.532 1.00 0.00 H new ATOM 0 HA PHE A 37 1.780 -20.301 -13.074 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.535 -19.492 -15.163 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.237 -21.065 -15.212 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.251 -18.086 -13.025 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.140 -21.504 -13.894 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.447 -17.303 -11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.838 -20.721 -12.305 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.495 -18.617 -11.072 1.00 0.00 H new ATOM 612 N VAL A 38 1.997 -23.284 -13.366 1.00 0.00 N ATOM 613 CA VAL A 38 1.770 -24.668 -12.921 1.00 0.00 C ATOM 614 C VAL A 38 3.078 -25.314 -12.422 1.00 0.00 C ATOM 615 O VAL A 38 4.153 -24.725 -12.526 1.00 0.00 O ATOM 616 CB VAL A 38 1.178 -25.532 -14.050 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.214 -25.043 -14.422 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.090 -25.516 -15.268 1.00 0.00 C ATOM 0 H VAL A 38 2.924 -23.127 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 38 1.056 -24.622 -12.099 1.00 0.00 H new ATOM 0 HB VAL A 38 1.099 -26.558 -13.692 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.617 -25.665 -15.221 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.866 -25.104 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.158 -24.009 -14.761 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.656 -26.132 -16.056 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.200 -24.493 -15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.068 -25.912 -14.995 1.00 0.00 H new ATOM 628 N THR A 39 2.987 -26.532 -11.890 1.00 0.00 N ATOM 629 CA THR A 39 4.169 -27.214 -11.335 1.00 0.00 C ATOM 630 C THR A 39 5.249 -27.497 -12.401 1.00 0.00 C ATOM 631 O THR A 39 4.973 -28.018 -13.481 1.00 0.00 O ATOM 632 CB THR A 39 3.774 -28.543 -10.664 1.00 0.00 C ATOM 633 OG1 THR A 39 2.828 -28.291 -9.618 1.00 0.00 O ATOM 634 CG2 THR A 39 5.000 -29.228 -10.080 1.00 0.00 C ATOM 0 H THR A 39 2.121 -27.067 -11.829 1.00 0.00 H new ATOM 0 HA THR A 39 4.589 -26.532 -10.596 1.00 0.00 H new ATOM 0 HB THR A 39 3.328 -29.195 -11.416 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.312 -29.105 -9.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.704 -30.166 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.716 -29.432 -10.876 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.460 -28.578 -9.336 1.00 0.00 H new ATOM 642 N GLU A 40 6.487 -27.114 -12.089 1.00 0.00 N ATOM 643 CA GLU A 40 7.649 -27.414 -12.944 1.00 0.00 C ATOM 644 C GLU A 40 8.769 -28.098 -12.138 1.00 0.00 C ATOM 645 O GLU A 40 8.979 -27.784 -10.968 1.00 0.00 O ATOM 646 CB GLU A 40 8.176 -26.135 -13.598 1.00 0.00 C ATOM 647 CG GLU A 40 7.187 -25.453 -14.533 1.00 0.00 C ATOM 648 CD GLU A 40 7.037 -26.217 -15.819 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.035 -26.596 -16.383 1.00 0.00 O ATOM 650 OE2 GLU A 40 5.924 -26.519 -16.181 1.00 0.00 O ATOM 0 H GLU A 40 6.718 -26.591 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 40 7.322 -28.101 -13.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.461 -25.432 -12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.081 -26.374 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.217 -25.369 -14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.525 -24.439 -14.747 1.00 0.00 H new ATOM 657 N ARG A 41 9.500 -29.025 -12.765 1.00 0.00 N ATOM 658 CA ARG A 41 10.619 -29.699 -12.092 1.00 0.00 C ATOM 659 C ARG A 41 11.524 -28.683 -11.383 1.00 0.00 C ATOM 660 O ARG A 41 11.759 -28.781 -10.182 1.00 0.00 O ATOM 661 CB ARG A 41 11.410 -30.587 -13.041 1.00 0.00 C ATOM 662 CG ARG A 41 12.627 -31.258 -12.423 1.00 0.00 C ATOM 663 CD ARG A 41 13.408 -32.098 -13.366 1.00 0.00 C ATOM 664 NE ARG A 41 14.758 -32.406 -12.923 1.00 0.00 N ATOM 665 CZ ARG A 41 15.645 -33.138 -13.625 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.320 -33.671 -14.781 1.00 0.00 N ATOM 667 NH2 ARG A 41 16.846 -33.328 -13.107 1.00 0.00 N ATOM 0 H ARG A 41 9.341 -29.325 -13.727 1.00 0.00 H new ATOM 0 HA ARG A 41 10.193 -30.356 -11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.747 -31.359 -13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.736 -29.987 -13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.282 -30.489 -12.012 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.300 -31.878 -11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.871 -33.032 -13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.462 -31.588 -14.328 1.00 0.00 H new ATOM 0 HE ARG A 41 15.054 -32.042 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.383 -33.534 -15.161 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.004 -34.222 -15.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.080 -32.925 -12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.539 -33.878 -13.615 1.00 0.00 H new ATOM 681 N GLU A 42 11.995 -27.686 -12.125 1.00 0.00 N ATOM 682 CA GLU A 42 12.947 -26.701 -11.593 1.00 0.00 C ATOM 683 C GLU A 42 12.306 -25.858 -10.469 1.00 0.00 C ATOM 684 O GLU A 42 12.974 -25.444 -9.524 1.00 0.00 O ATOM 685 CB GLU A 42 13.454 -25.790 -12.714 1.00 0.00 C ATOM 686 CG GLU A 42 14.373 -26.476 -13.714 1.00 0.00 C ATOM 687 CD GLU A 42 14.714 -25.563 -14.859 1.00 0.00 C ATOM 688 OE1 GLU A 42 14.195 -24.472 -14.898 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.576 -25.907 -15.632 1.00 0.00 O ATOM 0 H GLU A 42 11.736 -27.533 -13.100 1.00 0.00 H new ATOM 0 HA GLU A 42 13.792 -27.244 -11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.597 -25.380 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.985 -24.948 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.288 -26.792 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.891 -27.377 -14.095 1.00 0.00 H new ATOM 696 N TYR A 43 11.001 -25.629 -10.590 1.00 0.00 N ATOM 697 CA TYR A 43 10.230 -24.845 -9.615 1.00 0.00 C ATOM 698 C TYR A 43 10.324 -25.436 -8.196 1.00 0.00 C ATOM 699 O TYR A 43 10.318 -24.697 -7.212 1.00 0.00 O ATOM 700 CB TYR A 43 8.768 -24.795 -10.091 1.00 0.00 C ATOM 701 CG TYR A 43 7.817 -23.939 -9.273 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.747 -22.562 -9.468 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.953 -24.515 -8.347 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.846 -21.789 -8.764 1.00 0.00 C ATOM 705 CE2 TYR A 43 6.056 -23.745 -7.634 1.00 0.00 C ATOM 706 CZ TYR A 43 6.004 -22.385 -7.849 1.00 0.00 C ATOM 707 OH TYR A 43 5.098 -21.619 -7.157 1.00 0.00 O ATOM 0 H TYR A 43 10.442 -25.981 -11.367 1.00 0.00 H new ATOM 0 HA TYR A 43 10.645 -23.839 -9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.756 -24.431 -11.118 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.380 -25.814 -10.109 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.408 -22.092 -10.181 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.985 -25.582 -8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.801 -20.723 -8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.399 -24.206 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 43 4.434 -21.256 -7.779 1.00 0.00 H new ATOM 717 N TYR A 44 10.408 -26.768 -8.086 1.00 0.00 N ATOM 718 CA TYR A 44 10.554 -27.418 -6.768 1.00 0.00 C ATOM 719 C TYR A 44 11.811 -28.306 -6.653 1.00 0.00 C ATOM 720 O TYR A 44 12.043 -28.908 -5.608 1.00 0.00 O ATOM 721 CB TYR A 44 9.309 -28.255 -6.461 1.00 0.00 C ATOM 722 CG TYR A 44 9.165 -29.480 -7.337 1.00 0.00 C ATOM 723 CD1 TYR A 44 9.784 -30.674 -7.000 1.00 0.00 C ATOM 724 CD2 TYR A 44 8.406 -29.439 -8.497 1.00 0.00 C ATOM 725 CE1 TYR A 44 9.655 -31.796 -7.796 1.00 0.00 C ATOM 726 CE2 TYR A 44 8.268 -30.553 -9.300 1.00 0.00 C ATOM 727 CZ TYR A 44 8.895 -31.731 -8.947 1.00 0.00 C ATOM 728 OH TYR A 44 8.762 -32.846 -9.743 1.00 0.00 O ATOM 0 H TYR A 44 10.378 -27.412 -8.877 1.00 0.00 H new ATOM 0 HA TYR A 44 10.669 -26.615 -6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.341 -28.568 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.424 -27.630 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.378 -30.728 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.914 -28.519 -8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.145 -32.718 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.673 -30.503 -10.200 1.00 0.00 H new ATOM 0 HH TYR A 44 8.195 -32.632 -10.513 1.00 0.00 H new ATOM 738 N GLU A 45 12.618 -28.384 -7.712 1.00 0.00 N ATOM 739 CA GLU A 45 13.902 -29.116 -7.667 1.00 0.00 C ATOM 740 C GLU A 45 14.968 -28.384 -6.825 1.00 0.00 C ATOM 741 O GLU A 45 15.530 -28.952 -5.887 1.00 0.00 O ATOM 742 CB GLU A 45 14.429 -29.343 -9.085 1.00 0.00 C ATOM 743 CG GLU A 45 15.777 -30.046 -9.150 1.00 0.00 C ATOM 744 CD GLU A 45 16.192 -30.303 -10.571 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.287 -29.361 -11.321 1.00 0.00 O ATOM 746 OE2 GLU A 45 16.523 -31.423 -10.880 1.00 0.00 O ATOM 0 H GLU A 45 12.413 -27.953 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 45 13.707 -30.075 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.699 -29.931 -9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.511 -28.379 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.532 -29.436 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.723 -30.990 -8.608 1.00 0.00 H new ATOM 753 N ASP A 46 15.252 -27.131 -7.167 1.00 0.00 N ATOM 754 CA ASP A 46 16.187 -26.315 -6.382 1.00 0.00 C ATOM 755 C ASP A 46 15.493 -25.631 -5.192 1.00 0.00 C ATOM 756 O ASP A 46 16.151 -25.024 -4.338 1.00 0.00 O ATOM 757 CB ASP A 46 16.852 -25.264 -7.273 1.00 0.00 C ATOM 758 CG ASP A 46 17.871 -25.825 -8.257 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.274 -26.951 -8.085 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.118 -25.188 -9.253 1.00 0.00 O ATOM 0 H ASP A 46 14.853 -26.656 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 46 16.948 -26.986 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.078 -24.737 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.345 -24.527 -6.639 1.00 0.00 H new ATOM 765 N PHE A 47 14.171 -25.744 -5.132 1.00 0.00 N ATOM 766 CA PHE A 47 13.385 -25.116 -4.065 1.00 0.00 C ATOM 767 C PHE A 47 12.903 -26.139 -3.019 1.00 0.00 C ATOM 768 O PHE A 47 13.041 -27.351 -3.198 1.00 0.00 O ATOM 769 CB PHE A 47 12.188 -24.376 -4.663 1.00 0.00 C ATOM 770 CG PHE A 47 12.567 -23.186 -5.499 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.061 -23.353 -6.784 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.430 -21.898 -5.003 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.410 -22.259 -7.554 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.777 -20.804 -5.770 1.00 0.00 C ATOM 775 CZ PHE A 47 13.268 -20.985 -7.047 1.00 0.00 C ATOM 0 H PHE A 47 13.615 -26.265 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 47 14.037 -24.408 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.612 -25.070 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.535 -24.047 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.174 -24.348 -7.188 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.047 -21.749 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.794 -22.403 -8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.664 -19.807 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.540 -20.130 -7.648 1.00 0.00 H new ATOM 785 N GLY A 48 12.328 -25.642 -1.927 1.00 0.00 N ATOM 786 CA GLY A 48 11.751 -26.524 -0.916 1.00 0.00 C ATOM 787 C GLY A 48 11.691 -25.900 0.474 1.00 0.00 C ATOM 788 O GLY A 48 10.752 -26.143 1.234 1.00 0.00 O ATOM 0 H GLY A 48 12.249 -24.646 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.744 -26.805 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.337 -27.442 -0.869 1.00 0.00 H new ATOM 792 N TYR A 49 12.689 -25.089 0.812 1.00 0.00 N ATOM 793 CA TYR A 49 12.755 -24.455 2.138 1.00 0.00 C ATOM 794 C TYR A 49 12.999 -22.942 2.034 1.00 0.00 C ATOM 795 O TYR A 49 13.779 -22.486 1.203 1.00 0.00 O ATOM 796 CB TYR A 49 13.853 -25.102 2.984 1.00 0.00 C ATOM 797 CG TYR A 49 13.610 -26.563 3.290 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.036 -27.555 2.419 1.00 0.00 C ATOM 799 CD2 TYR A 49 12.958 -26.946 4.453 1.00 0.00 C ATOM 800 CE1 TYR A 49 13.816 -28.890 2.694 1.00 0.00 C ATOM 801 CE2 TYR A 49 12.733 -28.279 4.738 1.00 0.00 C ATOM 802 CZ TYR A 49 13.164 -29.248 3.856 1.00 0.00 C ATOM 803 OH TYR A 49 12.943 -30.577 4.137 1.00 0.00 O ATOM 0 H TYR A 49 13.464 -24.852 0.193 1.00 0.00 H new ATOM 0 HA TYR A 49 11.790 -24.607 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.805 -25.004 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.945 -24.555 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.549 -27.278 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.621 -26.190 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.152 -29.649 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.222 -28.561 5.647 1.00 0.00 H new ATOM 0 HH TYR A 49 13.797 -31.018 4.327 1.00 0.00 H new ATOM 813 N GLY A 50 12.332 -22.176 2.895 1.00 0.00 N ATOM 814 CA GLY A 50 12.524 -20.728 2.938 1.00 0.00 C ATOM 815 C GLY A 50 11.204 -19.970 2.848 1.00 0.00 C ATOM 816 O GLY A 50 10.142 -20.590 2.845 1.00 0.00 O ATOM 0 H GLY A 50 11.656 -22.533 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.034 -20.458 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.172 -20.424 2.116 1.00 0.00 H new ATOM 820 N GLU A 51 11.271 -18.639 2.764 1.00 0.00 N ATOM 821 CA GLU A 51 10.064 -17.790 2.710 1.00 0.00 C ATOM 822 C GLU A 51 8.989 -18.392 1.796 1.00 0.00 C ATOM 823 O GLU A 51 7.878 -18.681 2.232 1.00 0.00 O ATOM 824 CB GLU A 51 10.420 -16.380 2.232 1.00 0.00 C ATOM 825 CG GLU A 51 11.041 -15.492 3.301 1.00 0.00 C ATOM 826 CD GLU A 51 9.995 -14.946 4.233 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.638 -15.631 5.161 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.633 -13.803 4.083 1.00 0.00 O ATOM 0 H GLU A 51 12.148 -18.119 2.731 1.00 0.00 H new ATOM 0 HA GLU A 51 9.659 -17.736 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.113 -16.458 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.517 -15.898 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.775 -16.063 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.575 -14.668 2.827 1.00 0.00 H new ATOM 835 N CYS A 52 9.332 -18.570 0.529 1.00 0.00 N ATOM 836 CA CYS A 52 8.468 -19.269 -0.424 1.00 0.00 C ATOM 837 C CYS A 52 9.236 -20.434 -1.061 1.00 0.00 C ATOM 838 O CYS A 52 9.330 -20.537 -2.284 1.00 0.00 O ATOM 839 CB CYS A 52 8.151 -18.191 -1.460 1.00 0.00 C ATOM 840 SG CYS A 52 7.305 -16.737 -0.795 1.00 0.00 S ATOM 0 H CYS A 52 10.210 -18.238 0.130 1.00 0.00 H new ATOM 0 HA CYS A 52 7.572 -19.698 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.081 -17.871 -1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.533 -18.629 -2.244 1.00 0.00 H new ATOM 0 HG CYS A 52 7.274 -15.802 -1.698 1.00 0.00 H new ATOM 846 N PHE A 53 9.830 -21.283 -0.212 1.00 0.00 N ATOM 847 CA PHE A 53 10.690 -22.395 -0.671 1.00 0.00 C ATOM 848 C PHE A 53 11.996 -21.894 -1.325 1.00 0.00 C ATOM 849 O PHE A 53 12.747 -22.683 -1.902 1.00 0.00 O ATOM 850 CB PHE A 53 9.937 -23.300 -1.666 1.00 0.00 C ATOM 851 CG PHE A 53 8.830 -24.147 -1.077 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.408 -23.978 0.233 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.203 -25.120 -1.853 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.391 -24.755 0.751 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.187 -25.894 -1.334 1.00 0.00 C ATOM 856 CZ PHE A 53 6.781 -25.712 -0.031 1.00 0.00 C ATOM 0 H PHE A 53 9.733 -21.225 0.802 1.00 0.00 H new ATOM 0 HA PHE A 53 10.953 -22.968 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.511 -22.672 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.659 -23.961 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.880 -23.231 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.517 -25.270 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.072 -24.612 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.710 -26.643 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.986 -26.318 0.378 1.00 0.00 H new ATOM 866 N ASN A 54 12.275 -20.597 -1.209 1.00 0.00 N ATOM 867 CA ASN A 54 13.409 -19.983 -1.910 1.00 0.00 C ATOM 868 C ASN A 54 14.657 -19.860 -1.015 1.00 0.00 C ATOM 869 O ASN A 54 14.605 -20.117 0.188 1.00 0.00 O ATOM 870 CB ASN A 54 13.032 -18.621 -2.464 1.00 0.00 C ATOM 871 CG ASN A 54 12.801 -17.580 -1.406 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.638 -17.369 -0.520 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.636 -16.984 -1.444 1.00 0.00 N ATOM 0 H ASN A 54 11.734 -19.948 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 54 13.660 -20.648 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.823 -18.279 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.129 -18.721 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.384 -16.310 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.980 -17.193 -2.197 1.00 0.00 H new ATOM 880 N SER A 55 15.777 -19.448 -1.616 1.00 0.00 N ATOM 881 CA SER A 55 17.057 -19.313 -0.897 1.00 0.00 C ATOM 882 C SER A 55 17.501 -17.842 -0.831 1.00 0.00 C ATOM 883 O SER A 55 18.682 -17.524 -0.972 1.00 0.00 O ATOM 884 CB SER A 55 18.125 -20.157 -1.565 1.00 0.00 C ATOM 885 OG SER A 55 18.312 -19.803 -2.908 1.00 0.00 O ATOM 0 H SER A 55 15.828 -19.200 -2.604 1.00 0.00 H new ATOM 0 HA SER A 55 16.913 -19.668 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.066 -20.044 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.847 -21.209 -1.503 1.00 0.00 H new ATOM 0 HG SER A 55 17.446 -19.790 -3.366 1.00 0.00 H new ATOM 891 N THR A 56 16.527 -16.955 -0.639 1.00 0.00 N ATOM 892 CA THR A 56 16.775 -15.517 -0.460 1.00 0.00 C ATOM 893 C THR A 56 16.375 -15.020 0.942 1.00 0.00 C ATOM 894 O THR A 56 15.658 -15.701 1.675 1.00 0.00 O ATOM 895 CB THR A 56 16.018 -14.689 -1.515 1.00 0.00 C ATOM 896 OG1 THR A 56 14.607 -14.853 -1.333 1.00 0.00 O ATOM 897 CG2 THR A 56 16.400 -15.135 -2.918 1.00 0.00 C ATOM 0 H THR A 56 15.540 -17.209 -0.602 1.00 0.00 H new ATOM 0 HA THR A 56 17.850 -15.379 -0.581 1.00 0.00 H new ATOM 0 HB THR A 56 16.287 -13.640 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.431 -15.716 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.855 -14.539 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.472 -14.999 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.147 -16.187 -3.047 1.00 0.00 H new ATOM 905 N GLU A 57 16.843 -13.819 1.299 1.00 0.00 N ATOM 906 CA GLU A 57 16.598 -13.230 2.629 1.00 0.00 C ATOM 907 C GLU A 57 15.123 -12.838 2.867 1.00 0.00 C ATOM 908 O GLU A 57 14.506 -12.143 2.052 1.00 0.00 O ATOM 909 CB GLU A 57 17.493 -12.005 2.823 1.00 0.00 C ATOM 910 CG GLU A 57 17.401 -11.372 4.205 1.00 0.00 C ATOM 911 CD GLU A 57 18.336 -10.201 4.333 1.00 0.00 C ATOM 912 OE1 GLU A 57 19.031 -9.915 3.388 1.00 0.00 O ATOM 913 OE2 GLU A 57 18.273 -9.523 5.332 1.00 0.00 O ATOM 0 H GLU A 57 17.399 -13.228 0.682 1.00 0.00 H new ATOM 0 HA GLU A 57 16.838 -14.002 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.528 -12.293 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.231 -11.256 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.378 -11.045 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.640 -12.116 4.965 1.00 0.00 H new ATOM 920 N SER A 58 14.564 -13.309 3.980 1.00 0.00 N ATOM 921 CA SER A 58 13.209 -12.926 4.402 1.00 0.00 C ATOM 922 C SER A 58 13.065 -11.396 4.496 1.00 0.00 C ATOM 923 O SER A 58 13.907 -10.722 5.096 1.00 0.00 O ATOM 924 CB SER A 58 12.878 -13.572 5.732 1.00 0.00 C ATOM 925 OG SER A 58 13.005 -14.968 5.686 1.00 0.00 O ATOM 0 H SER A 58 15.028 -13.961 4.612 1.00 0.00 H new ATOM 0 HA SER A 58 12.505 -13.280 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.538 -13.173 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.859 -13.310 6.018 1.00 0.00 H new ATOM 0 HG SER A 58 12.785 -15.346 6.563 1.00 0.00 H new ATOM 931 N GLU A 59 11.989 -10.847 3.922 1.00 0.00 N ATOM 932 CA GLU A 59 11.709 -9.405 4.050 1.00 0.00 C ATOM 933 C GLU A 59 10.368 -9.102 4.750 1.00 0.00 C ATOM 934 O GLU A 59 10.299 -8.221 5.614 1.00 0.00 O ATOM 935 CB GLU A 59 11.726 -8.750 2.666 1.00 0.00 C ATOM 936 CG GLU A 59 13.084 -8.766 1.979 1.00 0.00 C ATOM 937 CD GLU A 59 13.009 -8.155 0.607 1.00 0.00 C ATOM 938 OE1 GLU A 59 11.934 -7.784 0.200 1.00 0.00 O ATOM 939 OE2 GLU A 59 14.040 -7.955 0.010 1.00 0.00 O ATOM 0 H GLU A 59 11.305 -11.366 3.372 1.00 0.00 H new ATOM 0 HA GLU A 59 12.494 -8.989 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.004 -9.259 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.394 -7.716 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.807 -8.219 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.444 -9.792 1.903 1.00 0.00 H new ATOM 946 N VAL A 60 9.313 -9.838 4.405 1.00 0.00 N ATOM 947 CA VAL A 60 7.980 -9.606 4.991 1.00 0.00 C ATOM 948 C VAL A 60 7.390 -10.883 5.642 1.00 0.00 C ATOM 949 O VAL A 60 6.175 -11.006 5.827 1.00 0.00 O ATOM 950 CB VAL A 60 6.992 -9.082 3.931 1.00 0.00 C ATOM 951 CG1 VAL A 60 7.431 -7.717 3.424 1.00 0.00 C ATOM 952 CG2 VAL A 60 6.878 -10.067 2.777 1.00 0.00 C ATOM 0 H VAL A 60 9.348 -10.599 3.726 1.00 0.00 H new ATOM 0 HA VAL A 60 8.118 -8.856 5.770 1.00 0.00 H new ATOM 0 HB VAL A 60 6.011 -8.979 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.722 -7.361 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.464 -7.013 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.422 -7.797 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.176 -9.681 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.856 -10.200 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.520 -11.026 3.151 1.00 0.00 H new ATOM 962 N GLN A 61 8.278 -11.818 5.997 1.00 0.00 N ATOM 963 CA GLN A 61 7.932 -13.047 6.751 1.00 0.00 C ATOM 964 C GLN A 61 6.822 -13.889 6.088 1.00 0.00 C ATOM 965 O GLN A 61 5.856 -14.289 6.746 1.00 0.00 O ATOM 966 CB GLN A 61 7.497 -12.679 8.172 1.00 0.00 C ATOM 967 CG GLN A 61 8.596 -12.057 9.017 1.00 0.00 C ATOM 968 CD GLN A 61 9.683 -13.053 9.379 1.00 0.00 C ATOM 969 OE1 GLN A 61 9.402 -14.143 9.884 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.932 -12.683 9.124 1.00 0.00 N ATOM 0 H GLN A 61 9.270 -11.750 5.771 1.00 0.00 H new ATOM 0 HA GLN A 61 8.833 -13.660 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.660 -11.983 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.133 -13.576 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.039 -11.222 8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.162 -11.650 9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.119 -11.772 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.705 -13.310 9.347 1.00 0.00 H new ATOM 979 N CYS A 62 6.978 -14.201 4.802 1.00 0.00 N ATOM 980 CA CYS A 62 6.028 -15.083 4.106 1.00 0.00 C ATOM 981 C CYS A 62 5.963 -16.465 4.767 1.00 0.00 C ATOM 982 O CYS A 62 4.922 -17.122 4.743 1.00 0.00 O ATOM 983 CB CYS A 62 6.626 -15.187 2.703 1.00 0.00 C ATOM 984 SG CYS A 62 6.507 -13.671 1.724 1.00 0.00 S ATOM 0 H CYS A 62 7.745 -13.862 4.221 1.00 0.00 H new ATOM 0 HA CYS A 62 5.006 -14.703 4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.676 -15.468 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.124 -15.992 2.166 1.00 0.00 H new ATOM 0 HG CYS A 62 7.696 -13.302 1.349 1.00 0.00 H new ATOM 990 N GLU A 63 7.071 -16.895 5.382 1.00 0.00 N ATOM 991 CA GLU A 63 7.095 -18.168 6.123 1.00 0.00 C ATOM 992 C GLU A 63 5.912 -18.272 7.112 1.00 0.00 C ATOM 993 O GLU A 63 5.312 -19.335 7.282 1.00 0.00 O ATOM 994 CB GLU A 63 8.421 -18.321 6.873 1.00 0.00 C ATOM 995 CG GLU A 63 8.554 -19.620 7.656 1.00 0.00 C ATOM 996 CD GLU A 63 9.898 -19.722 8.321 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.692 -18.827 8.153 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.092 -20.637 9.086 1.00 0.00 O ATOM 0 H GLU A 63 7.956 -16.388 5.384 1.00 0.00 H new ATOM 0 HA GLU A 63 6.997 -18.975 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.239 -18.258 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.534 -17.483 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.768 -19.675 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.413 -20.467 6.985 1.00 0.00 H new ATOM 1005 N LEU A 64 5.596 -17.162 7.766 1.00 0.00 N ATOM 1006 CA LEU A 64 4.517 -17.100 8.752 1.00 0.00 C ATOM 1007 C LEU A 64 3.246 -16.565 8.074 1.00 0.00 C ATOM 1008 O LEU A 64 2.271 -17.295 7.899 1.00 0.00 O ATOM 1009 CB LEU A 64 4.918 -16.217 9.941 1.00 0.00 C ATOM 1010 CG LEU A 64 6.134 -16.708 10.736 1.00 0.00 C ATOM 1011 CD1 LEU A 64 6.472 -15.714 11.839 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.838 -18.082 11.320 1.00 0.00 C ATOM 0 H LEU A 64 6.080 -16.275 7.630 1.00 0.00 H new ATOM 0 HA LEU A 64 4.322 -18.100 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.126 -15.212 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.068 -16.139 10.619 1.00 0.00 H new ATOM 0 HG LEU A 64 6.995 -16.787 10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.337 -16.071 12.398 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.701 -14.744 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.621 -15.614 12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.702 -18.431 11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.974 -18.018 11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.626 -18.783 10.512 1.00 0.00 H new ATOM 1024 N ILE A 65 3.286 -15.283 7.693 1.00 0.00 N ATOM 1025 CA ILE A 65 2.169 -14.605 7.018 1.00 0.00 C ATOM 1026 C ILE A 65 2.589 -13.200 6.543 1.00 0.00 C ATOM 1027 O ILE A 65 3.508 -12.587 7.093 1.00 0.00 O ATOM 1028 CB ILE A 65 0.940 -14.487 7.937 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.288 -14.056 7.133 1.00 0.00 C ATOM 1030 CG2 ILE A 65 1.214 -13.503 9.065 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -1.598 -14.275 7.855 1.00 0.00 C ATOM 0 H ILE A 65 4.097 -14.683 7.844 1.00 0.00 H new ATOM 0 HA ILE A 65 1.900 -15.213 6.155 1.00 0.00 H new ATOM 0 HB ILE A 65 0.738 -15.465 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.194 -12.999 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.306 -14.606 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.335 -13.431 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.064 -13.850 9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.439 -12.522 8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.422 -13.946 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.716 -15.335 8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.602 -13.703 8.783 1.00 0.00 H new ATOM 1043 N THR A 66 1.915 -12.689 5.511 1.00 0.00 N ATOM 1044 CA THR A 66 2.230 -11.360 4.951 1.00 0.00 C ATOM 1045 C THR A 66 1.087 -10.350 5.200 1.00 0.00 C ATOM 1046 O THR A 66 1.304 -9.140 5.246 1.00 0.00 O ATOM 1047 CB THR A 66 2.505 -11.441 3.438 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.327 -11.896 2.759 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.651 -12.399 3.155 1.00 0.00 C ATOM 0 H THR A 66 1.147 -13.170 5.042 1.00 0.00 H new ATOM 0 HA THR A 66 3.127 -11.013 5.463 1.00 0.00 H new ATOM 0 HB THR A 66 2.778 -10.448 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.433 -12.839 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.831 -12.444 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.551 -12.049 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.393 -13.393 3.521 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.130 -10.860 5.372 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.324 -10.024 5.289 1.00 0.00 C ATOM 1059 C GLY A 67 -2.035 -10.080 3.936 1.00 0.00 C ATOM 1060 O GLY A 67 -3.236 -9.809 3.848 1.00 0.00 O ATOM 0 H GLY A 67 -0.315 -11.844 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.023 -10.330 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.046 -8.991 5.498 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.296 -10.443 2.887 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.892 -10.808 1.595 1.00 0.00 C ATOM 1066 C GLU A 68 -1.992 -12.329 1.374 1.00 0.00 C ATOM 1067 O GLU A 68 -2.691 -12.781 0.468 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.085 -10.177 0.458 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.072 -8.654 0.466 1.00 0.00 C ATOM 1070 CD GLU A 68 -2.466 -8.095 0.413 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -3.195 -8.451 -0.482 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.841 -7.400 1.328 1.00 0.00 O ATOM 0 H GLU A 68 -0.277 -10.493 2.904 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.912 -10.424 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.058 -10.537 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.491 -10.520 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.569 -8.297 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.499 -8.289 -0.386 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.287 -13.108 2.191 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.490 -14.568 2.240 1.00 0.00 C ATOM 1081 C PHE A 69 -2.596 -14.981 3.233 1.00 0.00 C ATOM 1082 O PHE A 69 -2.854 -16.171 3.427 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.179 -15.268 2.604 1.00 0.00 C ATOM 1084 CG PHE A 69 0.914 -15.070 1.593 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.631 -14.559 0.335 1.00 0.00 C ATOM 1086 CD2 PHE A 69 2.227 -15.396 1.897 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.636 -14.377 -0.596 1.00 0.00 C ATOM 1088 CE2 PHE A 69 3.234 -15.215 0.969 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.938 -14.705 -0.280 1.00 0.00 C ATOM 0 H PHE A 69 -0.571 -12.762 2.829 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.815 -14.878 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.162 -14.900 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.367 -16.336 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.386 -14.300 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.465 -15.796 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.402 -13.978 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.252 -15.472 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.724 -14.563 -1.007 1.00 0.00 H new ATOM 1099 N ASP A 70 -3.234 -13.994 3.860 1.00 0.00 N ATOM 1100 CA ASP A 70 -4.214 -14.238 4.926 1.00 0.00 C ATOM 1101 C ASP A 70 -5.487 -14.930 4.370 1.00 0.00 C ATOM 1102 O ASP A 70 -6.190 -14.367 3.530 1.00 0.00 O ATOM 1103 CB ASP A 70 -4.583 -12.925 5.620 1.00 0.00 C ATOM 1104 CG ASP A 70 -5.565 -13.076 6.773 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -6.090 -14.152 6.944 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -5.665 -12.170 7.565 1.00 0.00 O ATOM 0 H ASP A 70 -3.090 -13.007 3.648 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.758 -14.907 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.672 -12.458 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.010 -12.246 4.882 1.00 0.00 H new ATOM 1111 N PRO A 71 -5.802 -16.160 4.844 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.042 -16.886 4.465 1.00 0.00 C ATOM 1113 C PRO A 71 -8.358 -16.079 4.599 1.00 0.00 C ATOM 1114 O PRO A 71 -9.339 -16.383 3.916 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.036 -18.093 5.408 1.00 0.00 C ATOM 1116 CG PRO A 71 -5.594 -18.323 5.708 1.00 0.00 C ATOM 1117 CD PRO A 71 -4.981 -16.951 5.797 1.00 0.00 C ATOM 0 HA PRO A 71 -7.030 -17.132 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.603 -17.890 6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.488 -18.966 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.469 -18.870 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.119 -18.915 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.036 -16.549 6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.928 -16.959 5.514 1.00 0.00 H new ATOM 1125 N LYS A 72 -8.393 -15.066 5.465 1.00 0.00 N ATOM 1126 CA LYS A 72 -9.611 -14.258 5.650 1.00 0.00 C ATOM 1127 C LYS A 72 -10.060 -13.620 4.319 1.00 0.00 C ATOM 1128 O LYS A 72 -11.241 -13.654 3.971 1.00 0.00 O ATOM 1129 CB LYS A 72 -9.378 -13.173 6.703 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.584 -12.279 6.962 1.00 0.00 C ATOM 1131 CD LYS A 72 -10.288 -11.250 8.043 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.470 -10.317 8.260 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.192 -9.300 9.308 1.00 0.00 N ATOM 0 H LYS A 72 -7.604 -14.783 6.046 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.404 -14.920 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.086 -13.649 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.541 -12.551 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.867 -11.770 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.435 -12.891 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.048 -11.759 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.410 -10.668 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.712 -9.815 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.345 -10.901 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.023 -8.685 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.986 -9.777 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.373 -8.725 9.025 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.116 -13.031 3.585 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.437 -12.305 2.346 1.00 0.00 C ATOM 1149 C LEU A 73 -8.968 -13.070 1.096 1.00 0.00 C ATOM 1150 O LEU A 73 -9.453 -12.819 -0.009 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.806 -10.907 2.378 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.239 -10.022 3.554 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.497 -8.694 3.508 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.744 -9.803 3.498 1.00 0.00 C ATOM 0 H LEU A 73 -8.124 -13.039 3.822 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.522 -12.213 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.722 -11.016 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.051 -10.394 1.448 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.992 -10.517 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.811 -8.073 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.424 -8.874 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.724 -8.183 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.052 -9.174 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.006 -9.314 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.254 -10.764 3.560 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.030 -13.997 1.267 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.538 -14.816 0.151 1.00 0.00 C ATOM 1168 C LEU A 74 -8.240 -16.189 0.141 1.00 0.00 C ATOM 1169 O LEU A 74 -7.983 -17.029 1.007 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.017 -14.987 0.244 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.420 -16.047 -0.691 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.710 -15.685 -2.142 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -3.922 -16.151 -0.452 1.00 0.00 C ATOM 0 H LEU A 74 -7.592 -14.204 2.165 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.770 -14.306 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.546 -14.028 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.759 -15.245 1.271 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.876 -17.014 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.283 -16.443 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.788 -15.637 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.267 -14.716 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.499 -16.904 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.454 -15.187 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.738 -16.436 0.584 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.139 -16.434 -0.838 1.00 0.00 N ATOM 1186 CA PRO A 75 -9.703 -17.774 -1.090 1.00 0.00 C ATOM 1187 C PRO A 75 -8.702 -18.741 -1.743 1.00 0.00 C ATOM 1188 O PRO A 75 -7.760 -18.325 -2.418 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.869 -17.482 -2.043 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.418 -16.302 -2.835 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.610 -15.455 -1.884 1.00 0.00 C ATOM 0 HA PRO A 75 -9.992 -18.271 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.078 -18.336 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.785 -17.265 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.817 -16.611 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.269 -15.746 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.771 -14.976 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.214 -14.661 -1.445 1.00 0.00 H new ATOM 1199 N TYR A 76 -8.908 -20.042 -1.548 1.00 0.00 N ATOM 1200 CA TYR A 76 -7.970 -21.042 -2.066 1.00 0.00 C ATOM 1201 C TYR A 76 -8.649 -22.074 -2.982 1.00 0.00 C ATOM 1202 O TYR A 76 -9.398 -22.941 -2.532 1.00 0.00 O ATOM 1203 CB TYR A 76 -7.276 -21.757 -0.904 1.00 0.00 C ATOM 1204 CG TYR A 76 -6.498 -20.834 0.007 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -5.271 -20.319 -0.383 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -6.991 -20.483 1.255 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -4.555 -19.475 0.445 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -6.284 -19.639 2.091 1.00 0.00 C ATOM 1209 CZ TYR A 76 -5.066 -19.137 1.682 1.00 0.00 C ATOM 1210 OH TYR A 76 -4.357 -18.298 2.510 1.00 0.00 O ATOM 0 H TYR A 76 -9.705 -20.427 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.236 -20.509 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.026 -22.285 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.599 -22.510 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.868 -20.582 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.943 -20.876 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.601 -19.082 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.683 -19.374 3.059 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.541 -18.749 2.812 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.394 -21.951 -4.281 1.00 0.00 N ATOM 1221 CA ASP A 77 -8.871 -22.927 -5.267 1.00 0.00 C ATOM 1222 C ASP A 77 -7.940 -24.152 -5.256 1.00 0.00 C ATOM 1223 O ASP A 77 -6.878 -24.105 -4.643 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.934 -22.308 -6.666 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.891 -23.009 -7.621 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.414 -24.036 -7.260 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -10.212 -22.435 -8.634 1.00 0.00 O ATOM 0 H ASP A 77 -7.857 -21.182 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.881 -23.238 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.231 -21.263 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.934 -22.318 -7.100 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.320 -25.231 -5.938 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.495 -26.449 -5.977 1.00 0.00 C ATOM 1234 C LYS A 78 -6.072 -26.155 -6.505 1.00 0.00 C ATOM 1235 O LYS A 78 -5.066 -26.515 -5.876 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.166 -27.517 -6.841 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.403 -28.833 -6.923 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.160 -29.862 -7.748 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.375 -31.160 -7.870 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.099 -32.173 -8.685 1.00 0.00 N ATOM 0 H LYS A 78 -9.188 -25.292 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.403 -26.819 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.163 -27.713 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.295 -27.123 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.422 -28.660 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.235 -29.222 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.127 -30.061 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.358 -29.460 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.405 -30.956 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.184 -31.563 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.531 -33.042 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.014 -32.387 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.259 -31.799 -9.642 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.994 -25.455 -7.636 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.707 -25.165 -8.280 1.00 0.00 C ATOM 1256 C ARG A 79 -3.991 -23.988 -7.606 1.00 0.00 C ATOM 1257 O ARG A 79 -2.764 -23.999 -7.459 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.855 -24.940 -9.778 1.00 0.00 C ATOM 1259 CG ARG A 79 -5.209 -26.182 -10.580 1.00 0.00 C ATOM 1260 CD ARG A 79 -5.447 -25.931 -12.025 1.00 0.00 C ATOM 1261 NE ARG A 79 -5.760 -27.120 -12.799 1.00 0.00 N ATOM 1262 CZ ARG A 79 -6.183 -27.110 -14.080 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.377 -25.979 -14.720 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -6.418 -28.270 -14.668 1.00 0.00 N ATOM 0 H ARG A 79 -6.804 -25.077 -8.127 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.083 -26.049 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.625 -24.187 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.921 -24.531 -10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.403 -26.908 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.102 -26.635 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.267 -25.220 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.561 -25.459 -12.450 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.652 -28.026 -12.342 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.208 -25.091 -14.248 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.697 -25.989 -15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.279 -29.140 -14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.739 -28.295 -15.636 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.759 -22.975 -7.210 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.227 -21.836 -6.451 1.00 0.00 C ATOM 1280 C LEU A 80 -3.568 -22.297 -5.140 1.00 0.00 C ATOM 1281 O LEU A 80 -2.404 -21.983 -4.870 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.344 -20.826 -6.161 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.899 -19.548 -5.438 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.962 -18.744 -6.329 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.121 -18.726 -5.059 1.00 0.00 C ATOM 0 H LEU A 80 -5.759 -22.916 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.461 -21.354 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.812 -20.546 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.109 -21.317 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.360 -19.813 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.651 -17.839 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.084 -19.344 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.479 -18.473 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.804 -17.818 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.674 -18.459 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.763 -19.311 -4.400 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.312 -23.071 -4.347 1.00 0.00 N ATOM 1298 CA ALA A 81 -3.775 -23.668 -3.120 1.00 0.00 C ATOM 1299 C ALA A 81 -2.491 -24.459 -3.377 1.00 0.00 C ATOM 1300 O ALA A 81 -1.458 -24.163 -2.781 1.00 0.00 O ATOM 1301 CB ALA A 81 -4.814 -24.561 -2.452 1.00 0.00 C ATOM 0 H ALA A 81 -5.289 -23.300 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.528 -22.845 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.393 -24.993 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.693 -23.969 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.100 -25.361 -3.135 1.00 0.00 H new ATOM 1307 N TRP A 82 -2.547 -25.450 -4.278 1.00 0.00 N ATOM 1308 CA TRP A 82 -1.389 -26.323 -4.509 1.00 0.00 C ATOM 1309 C TRP A 82 -0.121 -25.513 -4.816 1.00 0.00 C ATOM 1310 O TRP A 82 0.852 -25.581 -4.077 1.00 0.00 O ATOM 1311 CB TRP A 82 -1.677 -27.293 -5.656 1.00 0.00 C ATOM 1312 CG TRP A 82 -0.546 -28.234 -5.942 1.00 0.00 C ATOM 1313 CD1 TRP A 82 0.473 -28.565 -5.098 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.319 -28.968 -7.151 1.00 0.00 C ATOM 1315 NE1 TRP A 82 1.321 -29.456 -5.707 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.855 -29.721 -6.970 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -0.998 -29.060 -8.373 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.366 -30.549 -7.956 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.486 -29.892 -9.362 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.661 -30.616 -9.159 1.00 0.00 C ATOM 0 H TRP A 82 -3.365 -25.664 -4.848 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.214 -26.887 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -2.569 -27.872 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -1.900 -26.722 -6.557 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.595 -28.182 -4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.161 -29.856 -5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.902 -28.495 -8.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.271 -31.118 -7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.001 -29.970 -10.308 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.028 -31.254 -9.950 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.154 -24.727 -5.888 1.00 0.00 N ATOM 1332 CA HIS A 83 1.012 -23.929 -6.289 1.00 0.00 C ATOM 1333 C HIS A 83 1.212 -22.709 -5.383 1.00 0.00 C ATOM 1334 O HIS A 83 2.152 -22.665 -4.596 1.00 0.00 O ATOM 1335 CB HIS A 83 0.876 -23.476 -7.746 1.00 0.00 C ATOM 1336 CG HIS A 83 0.673 -24.603 -8.710 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.577 -24.995 -9.143 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.558 -25.422 -9.324 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.450 -26.007 -9.984 1.00 0.00 C ATOM 1340 NE2 HIS A 83 0.835 -26.285 -10.110 1.00 0.00 N ATOM 0 H HIS A 83 -0.967 -24.622 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 83 1.889 -24.568 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.036 -22.786 -7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.771 -22.923 -8.030 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.460 -24.571 -8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.632 -25.401 -9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.259 -26.519 -10.483 1.00 0.00 H new ATOM 1345 N PHE A 84 0.321 -21.729 -5.476 1.00 0.00 N ATOM 1346 CA PHE A 84 0.517 -20.451 -4.780 1.00 0.00 C ATOM 1347 C PHE A 84 0.632 -20.632 -3.248 1.00 0.00 C ATOM 1348 O PHE A 84 1.585 -20.158 -2.629 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.614 -19.478 -5.138 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.406 -18.764 -6.462 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.314 -19.477 -7.654 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.309 -17.379 -6.510 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.131 -18.821 -8.858 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.125 -16.722 -7.713 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.037 -17.444 -8.888 1.00 0.00 C ATOM 0 H PHE A 84 -0.540 -21.788 -6.020 1.00 0.00 H new ATOM 0 HA PHE A 84 1.465 -20.031 -5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.555 -20.026 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.708 -18.736 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.386 -20.554 -7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.378 -16.808 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.062 -19.387 -9.775 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.050 -15.645 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.105 -16.932 -9.828 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.330 -21.328 -2.637 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.404 -21.413 -1.168 1.00 0.00 C ATOM 1367 C LYS A 85 0.746 -22.264 -0.587 1.00 0.00 C ATOM 1368 O LYS A 85 1.499 -21.801 0.268 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.753 -21.991 -0.737 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.055 -21.843 0.748 1.00 0.00 C ATOM 1371 CD LYS A 85 -1.510 -23.019 1.544 1.00 0.00 C ATOM 1372 CE LYS A 85 -1.981 -22.977 2.990 1.00 0.00 C ATOM 1373 NZ LYS A 85 -1.707 -24.253 3.703 1.00 0.00 N ATOM 0 H LYS A 85 -1.065 -21.838 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.303 -20.402 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.543 -21.501 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.781 -23.049 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.618 -20.916 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.132 -21.769 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.831 -23.953 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.420 -23.007 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.484 -22.158 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.051 -22.769 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.567 -24.567 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.417 -24.979 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.945 -24.107 4.395 1.00 0.00 H new ATOM 1387 N GLU A 86 0.874 -23.496 -1.067 1.00 0.00 N ATOM 1388 CA GLU A 86 1.842 -24.464 -0.525 1.00 0.00 C ATOM 1389 C GLU A 86 3.295 -24.006 -0.743 1.00 0.00 C ATOM 1390 O GLU A 86 4.181 -24.319 0.051 1.00 0.00 O ATOM 1391 CB GLU A 86 1.629 -25.840 -1.161 1.00 0.00 C ATOM 1392 CG GLU A 86 0.273 -26.464 -0.868 1.00 0.00 C ATOM 1393 CD GLU A 86 0.085 -26.698 0.604 1.00 0.00 C ATOM 1394 OE1 GLU A 86 0.946 -27.293 1.206 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.864 -26.186 1.151 1.00 0.00 O ATOM 0 H GLU A 86 0.316 -23.858 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 86 1.671 -24.529 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.748 -25.750 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.410 -26.514 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.517 -25.811 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.182 -27.409 -1.403 1.00 0.00 H new ATOM 1402 N PHE A 87 3.528 -23.257 -1.814 1.00 0.00 N ATOM 1403 CA PHE A 87 4.860 -22.721 -2.118 1.00 0.00 C ATOM 1404 C PHE A 87 5.209 -21.519 -1.222 1.00 0.00 C ATOM 1405 O PHE A 87 6.313 -21.435 -0.686 1.00 0.00 O ATOM 1406 CB PHE A 87 4.923 -22.309 -3.595 1.00 0.00 C ATOM 1407 CG PHE A 87 6.319 -22.090 -4.132 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.151 -23.168 -4.390 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.788 -20.811 -4.397 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.423 -22.978 -4.896 1.00 0.00 C ATOM 1411 CE2 PHE A 87 8.058 -20.616 -4.907 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.875 -21.700 -5.154 1.00 0.00 C ATOM 0 H PHE A 87 2.811 -23.003 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 87 5.592 -23.504 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.435 -23.078 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.350 -21.391 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.801 -24.170 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.154 -19.959 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.061 -23.827 -5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.410 -19.616 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.869 -21.548 -5.549 1.00 0.00 H new ATOM 1422 N CYS A 88 4.260 -20.591 -1.060 1.00 0.00 N ATOM 1423 CA CYS A 88 4.518 -19.332 -0.340 1.00 0.00 C ATOM 1424 C CYS A 88 4.051 -19.367 1.127 1.00 0.00 C ATOM 1425 O CYS A 88 4.822 -19.077 2.039 1.00 0.00 O ATOM 1426 CB CYS A 88 3.688 -18.326 -1.137 1.00 0.00 C ATOM 1427 SG CYS A 88 4.225 -18.101 -2.850 1.00 0.00 S ATOM 0 H CYS A 88 3.308 -20.684 -1.415 1.00 0.00 H new ATOM 0 HA CYS A 88 5.582 -19.104 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.647 -18.650 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.722 -17.362 -0.629 1.00 0.00 H new ATOM 0 HG CYS A 88 4.581 -16.864 -3.034 1.00 0.00 H new ATOM 1433 N TYR A 89 2.786 -19.730 1.352 1.00 0.00 N ATOM 1434 CA TYR A 89 2.146 -19.544 2.671 1.00 0.00 C ATOM 1435 C TYR A 89 2.121 -20.846 3.497 1.00 0.00 C ATOM 1436 O TYR A 89 1.483 -20.924 4.549 1.00 0.00 O ATOM 1437 CB TYR A 89 0.720 -18.994 2.475 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.035 -18.727 3.768 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.479 -17.855 4.725 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.260 -19.336 4.033 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.197 -17.604 5.903 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.942 -19.087 5.210 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.407 -18.221 6.141 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.086 -17.967 7.314 1.00 0.00 O ATOM 0 H TYR A 89 2.182 -20.153 0.647 1.00 0.00 H new ATOM 0 HA TYR A 89 2.741 -18.827 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.777 -18.067 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.150 -19.703 1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.424 -17.366 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.684 -20.014 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.220 -16.928 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.890 -19.569 5.400 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.921 -18.479 7.326 1.00 0.00 H new ATOM 1454 N LYS A 90 2.834 -21.867 3.031 1.00 0.00 N ATOM 1455 CA LYS A 90 2.985 -23.107 3.798 1.00 0.00 C ATOM 1456 C LYS A 90 3.900 -22.916 5.018 1.00 0.00 C ATOM 1457 O LYS A 90 5.028 -22.449 4.903 1.00 0.00 O ATOM 1458 CB LYS A 90 3.532 -24.220 2.902 1.00 0.00 C ATOM 1459 CG LYS A 90 3.640 -25.579 3.581 1.00 0.00 C ATOM 1460 CD LYS A 90 4.016 -26.667 2.587 1.00 0.00 C ATOM 1461 CE LYS A 90 4.119 -28.026 3.264 1.00 0.00 C ATOM 1462 NZ LYS A 90 4.315 -29.125 2.280 1.00 0.00 N ATOM 0 H LYS A 90 3.315 -21.864 2.132 1.00 0.00 H new ATOM 0 HA LYS A 90 1.998 -23.389 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.889 -24.315 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.519 -23.928 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.387 -25.533 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.690 -25.828 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.270 -26.710 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.968 -26.420 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.950 -28.018 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.213 -28.213 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.431 -30.027 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.486 -29.183 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.165 -28.935 1.712 1.00 0.00 H new ATOM 1476 N THR A 91 3.405 -23.282 6.195 1.00 0.00 N ATOM 1477 CA THR A 91 4.158 -23.077 7.444 1.00 0.00 C ATOM 1478 C THR A 91 4.822 -24.371 7.951 1.00 0.00 C ATOM 1479 O THR A 91 5.738 -24.335 8.775 1.00 0.00 O ATOM 1480 CB THR A 91 3.249 -22.519 8.555 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.220 -23.471 8.857 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.610 -21.210 8.115 1.00 0.00 C ATOM 0 H THR A 91 2.492 -23.720 6.319 1.00 0.00 H new ATOM 0 HA THR A 91 4.941 -22.356 7.208 1.00 0.00 H new ATOM 0 HB THR A 91 3.856 -22.335 9.442 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.643 -23.116 9.565 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.971 -20.831 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.389 -20.480 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.011 -21.380 7.220 1.00 0.00 H new ATOM 1490 N SER A 92 4.364 -25.511 7.445 1.00 0.00 N ATOM 1491 CA SER A 92 4.876 -26.820 7.875 1.00 0.00 C ATOM 1492 C SER A 92 6.090 -27.252 7.042 1.00 0.00 C ATOM 1493 O SER A 92 6.309 -26.756 5.931 1.00 0.00 O ATOM 1494 CB SER A 92 3.779 -27.862 7.785 1.00 0.00 C ATOM 1495 OG SER A 92 3.370 -28.084 6.464 1.00 0.00 O ATOM 0 H SER A 92 3.636 -25.561 6.733 1.00 0.00 H new ATOM 0 HA SER A 92 5.201 -26.729 8.911 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.133 -28.798 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.924 -27.540 8.379 1.00 0.00 H new ATOM 0 HG SER A 92 2.664 -28.763 6.450 1.00 0.00 H new ATOM 1501 N ALA A 93 6.885 -28.165 7.594 1.00 0.00 N ATOM 1502 CA ALA A 93 8.080 -28.688 6.919 1.00 0.00 C ATOM 1503 C ALA A 93 8.299 -30.165 7.279 1.00 0.00 C ATOM 1504 O ALA A 93 8.973 -30.488 8.259 1.00 0.00 O ATOM 1505 CB ALA A 93 9.304 -27.851 7.278 1.00 0.00 C ATOM 0 H ALA A 93 6.724 -28.565 8.518 1.00 0.00 H new ATOM 0 HA ALA A 93 7.928 -28.622 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.181 -28.252 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.144 -26.819 6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.463 -27.883 8.356 1.00 0.00 H new ATOM 1511 N HIS A 94 7.717 -31.054 6.481 1.00 0.00 N ATOM 1512 CA HIS A 94 7.690 -32.494 6.776 1.00 0.00 C ATOM 1513 C HIS A 94 8.689 -33.264 5.882 1.00 0.00 C ATOM 1514 O HIS A 94 9.578 -32.659 5.289 1.00 0.00 O ATOM 1515 CB HIS A 94 6.277 -33.055 6.594 1.00 0.00 C ATOM 1516 CG HIS A 94 5.262 -32.439 7.505 1.00 0.00 C ATOM 1517 ND1 HIS A 94 5.248 -32.665 8.866 1.00 0.00 N ATOM 1518 CD2 HIS A 94 4.226 -31.604 7.252 1.00 0.00 C ATOM 1519 CE1 HIS A 94 4.248 -31.995 9.410 1.00 0.00 C ATOM 1520 NE2 HIS A 94 3.612 -31.344 8.453 1.00 0.00 N ATOM 0 H HIS A 94 7.249 -30.803 5.610 1.00 0.00 H new ATOM 0 HA HIS A 94 7.989 -32.627 7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 94 5.965 -32.902 5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 94 6.299 -34.131 6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.937 -31.215 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.994 -31.982 10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.797 -30.745 8.584 1.00 0.00 H new ATOM 1525 N GLY A 95 8.562 -34.596 5.826 1.00 0.00 N ATOM 1526 CA GLY A 95 9.456 -35.424 5.009 1.00 0.00 C ATOM 1527 C GLY A 95 9.330 -35.171 3.504 1.00 0.00 C ATOM 1528 O GLY A 95 10.295 -35.358 2.764 1.00 0.00 O ATOM 0 H GLY A 95 7.851 -35.121 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.486 -35.240 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.247 -36.475 5.210 1.00 0.00 H new ATOM 1532 N ILE A 96 8.142 -34.756 3.053 1.00 0.00 N ATOM 1533 CA ILE A 96 7.955 -34.246 1.682 1.00 0.00 C ATOM 1534 C ILE A 96 7.321 -32.833 1.677 1.00 0.00 C ATOM 1535 O ILE A 96 6.102 -32.683 1.562 1.00 0.00 O ATOM 1536 CB ILE A 96 7.077 -35.196 0.847 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.645 -36.618 0.883 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.968 -34.699 -0.586 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.799 -37.631 0.146 1.00 0.00 C ATOM 0 H ILE A 96 7.291 -34.762 3.615 1.00 0.00 H new ATOM 0 HA ILE A 96 8.947 -34.187 1.235 1.00 0.00 H new ATOM 0 HB ILE A 96 6.077 -35.214 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.646 -36.611 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.749 -36.932 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.344 -35.383 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.520 -33.705 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.962 -34.652 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.265 -38.614 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.805 -37.668 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.716 -37.342 -0.902 1.00 0.00 H new ATOM 1551 N PRO A 97 8.134 -31.770 1.848 1.00 0.00 N ATOM 1552 CA PRO A 97 7.632 -30.399 1.985 1.00 0.00 C ATOM 1553 C PRO A 97 7.367 -29.690 0.638 1.00 0.00 C ATOM 1554 O PRO A 97 6.640 -28.701 0.588 1.00 0.00 O ATOM 1555 CB PRO A 97 8.785 -29.730 2.729 1.00 0.00 C ATOM 1556 CG PRO A 97 10.008 -30.480 2.285 1.00 0.00 C ATOM 1557 CD PRO A 97 9.587 -31.920 2.050 1.00 0.00 C ATOM 0 HA PRO A 97 6.664 -30.359 2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.857 -28.671 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.651 -29.794 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.417 -30.045 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.790 -30.426 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.080 -32.355 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.819 -32.560 2.901 1.00 0.00 H new ATOM 1565 N MET A 98 7.965 -30.200 -0.444 1.00 0.00 N ATOM 1566 CA MET A 98 7.976 -29.505 -1.739 1.00 0.00 C ATOM 1567 C MET A 98 6.650 -29.672 -2.501 1.00 0.00 C ATOM 1568 O MET A 98 5.723 -30.328 -2.027 1.00 0.00 O ATOM 1569 CB MET A 98 9.137 -30.014 -2.590 1.00 0.00 C ATOM 1570 CG MET A 98 10.514 -29.778 -1.986 1.00 0.00 C ATOM 1571 SD MET A 98 11.849 -30.366 -3.046 1.00 0.00 S ATOM 1572 CE MET A 98 13.249 -30.220 -1.939 1.00 0.00 C ATOM 0 H MET A 98 8.451 -31.097 -0.450 1.00 0.00 H new ATOM 0 HA MET A 98 8.103 -28.441 -1.539 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.006 -31.083 -2.758 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.095 -29.531 -3.566 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.646 -28.712 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.574 -30.281 -1.021 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.144 -30.597 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.395 -29.173 -1.673 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.061 -30.801 -1.036 1.00 0.00 H new ATOM 1582 N ILE A 99 6.579 -29.076 -3.694 1.00 0.00 N ATOM 1583 CA ILE A 99 5.361 -29.101 -4.523 1.00 0.00 C ATOM 1584 C ILE A 99 4.960 -30.538 -4.922 1.00 0.00 C ATOM 1585 O ILE A 99 3.790 -30.811 -5.195 1.00 0.00 O ATOM 1586 CB ILE A 99 5.539 -28.259 -5.800 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.786 -26.792 -5.441 1.00 0.00 C ATOM 1588 CG2 ILE A 99 4.320 -28.393 -6.699 1.00 0.00 C ATOM 1589 CD1 ILE A 99 4.662 -26.157 -4.654 1.00 0.00 C ATOM 0 H ILE A 99 7.355 -28.565 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 99 4.566 -28.674 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 99 6.408 -28.631 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.707 -26.720 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.940 -26.224 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.462 -27.792 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.188 -29.438 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.435 -28.045 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.911 -25.118 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.742 -26.196 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.521 -26.699 -3.719 1.00 0.00 H new ATOM 1601 N GLY A 100 5.927 -31.456 -4.942 1.00 0.00 N ATOM 1602 CA GLY A 100 5.632 -32.830 -5.340 1.00 0.00 C ATOM 1603 C GLY A 100 6.588 -33.883 -4.770 1.00 0.00 C ATOM 1604 O GLY A 100 6.426 -34.338 -3.637 1.00 0.00 O ATOM 0 H GLY A 100 6.900 -31.278 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.617 -33.074 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.654 -32.891 -6.428 1.00 0.00 H new ATOM 1608 N GLU A 101 7.606 -34.239 -5.551 1.00 0.00 N ATOM 1609 CA GLU A 101 8.556 -35.293 -5.168 1.00 0.00 C ATOM 1610 C GLU A 101 9.766 -34.777 -4.374 1.00 0.00 C ATOM 1611 O GLU A 101 10.691 -34.190 -4.934 1.00 0.00 O ATOM 1612 CB GLU A 101 9.043 -36.028 -6.419 1.00 0.00 C ATOM 1613 CG GLU A 101 9.972 -37.200 -6.138 1.00 0.00 C ATOM 1614 CD GLU A 101 10.365 -37.902 -7.407 1.00 0.00 C ATOM 1615 OE1 GLU A 101 9.950 -37.472 -8.456 1.00 0.00 O ATOM 1616 OE2 GLU A 101 11.171 -38.801 -7.340 1.00 0.00 O ATOM 0 H GLU A 101 7.798 -33.813 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 101 8.014 -35.969 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.177 -36.391 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.559 -35.318 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.866 -36.844 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.480 -37.905 -5.468 1.00 0.00 H new ATOM 1623 N ALA A 102 9.742 -34.998 -3.065 1.00 0.00 N ATOM 1624 CA ALA A 102 10.836 -34.579 -2.185 1.00 0.00 C ATOM 1625 C ALA A 102 11.045 -35.612 -1.062 1.00 0.00 C ATOM 1626 O ALA A 102 10.654 -35.392 0.082 1.00 0.00 O ATOM 1627 CB ALA A 102 10.554 -33.197 -1.613 1.00 0.00 C ATOM 0 H ALA A 102 8.975 -35.467 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 102 11.756 -34.523 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.375 -32.899 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.458 -32.479 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.627 -33.222 -1.040 1.00 0.00 H new ATOM 1633 N PRO A 103 11.651 -36.773 -1.384 1.00 0.00 N ATOM 1634 CA PRO A 103 11.938 -37.835 -0.395 1.00 0.00 C ATOM 1635 C PRO A 103 13.062 -37.468 0.594 1.00 0.00 C ATOM 1636 O PRO A 103 14.206 -37.890 0.426 1.00 0.00 O ATOM 1637 CB PRO A 103 12.323 -39.039 -1.261 1.00 0.00 C ATOM 1638 CG PRO A 103 12.910 -38.438 -2.493 1.00 0.00 C ATOM 1639 CD PRO A 103 12.100 -37.196 -2.755 1.00 0.00 C ATOM 0 HA PRO A 103 11.080 -38.021 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.041 -39.681 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.454 -39.655 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.963 -38.197 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.853 -39.129 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.697 -36.422 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.253 -37.400 -3.409 1.00 0.00 H new ATOM 1647 N LEU A 104 12.732 -36.671 1.619 1.00 0.00 N ATOM 1648 CA LEU A 104 13.726 -36.176 2.593 1.00 0.00 C ATOM 1649 C LEU A 104 14.843 -35.368 1.882 1.00 0.00 C ATOM 1650 O LEU A 104 16.004 -35.371 2.297 1.00 0.00 O ATOM 1651 CB LEU A 104 14.328 -37.348 3.378 1.00 0.00 C ATOM 1652 CG LEU A 104 13.310 -38.249 4.087 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.025 -39.404 4.775 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.518 -37.429 5.094 1.00 0.00 C ATOM 0 H LEU A 104 11.780 -36.351 1.799 1.00 0.00 H new ATOM 0 HA LEU A 104 13.219 -35.510 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.916 -37.959 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.018 -36.950 4.122 1.00 0.00 H new ATOM 0 HG LEU A 104 12.619 -38.664 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.293 -40.038 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.566 -39.991 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.728 -39.011 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.795 -38.071 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.198 -37.002 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.993 -36.626 4.577 1.00 0.00 H new ATOM 1666 N GLU A 105 14.464 -34.642 0.833 1.00 0.00 N ATOM 1667 CA GLU A 105 15.396 -33.789 0.095 1.00 0.00 C ATOM 1668 C GLU A 105 15.546 -32.409 0.755 1.00 0.00 C ATOM 1669 O GLU A 105 14.631 -31.582 0.726 1.00 0.00 O ATOM 1670 CB GLU A 105 14.935 -33.631 -1.356 1.00 0.00 C ATOM 1671 CG GLU A 105 14.934 -34.924 -2.160 1.00 0.00 C ATOM 1672 CD GLU A 105 16.334 -35.363 -2.488 1.00 0.00 C ATOM 1673 OE1 GLU A 105 17.250 -34.638 -2.186 1.00 0.00 O ATOM 1674 OE2 GLU A 105 16.496 -36.473 -2.940 1.00 0.00 O ATOM 0 H GLU A 105 13.510 -34.627 0.472 1.00 0.00 H new ATOM 0 HA GLU A 105 16.372 -34.274 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.928 -33.213 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.582 -32.909 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.428 -35.706 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.370 -34.782 -3.082 1.00 0.00 H new ATOM 1681 N HIS A 106 16.701 -32.173 1.363 1.00 0.00 N ATOM 1682 CA HIS A 106 16.936 -30.941 2.113 1.00 0.00 C ATOM 1683 C HIS A 106 17.878 -30.013 1.333 1.00 0.00 C ATOM 1684 O HIS A 106 19.035 -29.827 1.712 1.00 0.00 O ATOM 1685 CB HIS A 106 17.517 -31.247 3.497 1.00 0.00 C ATOM 1686 CG HIS A 106 16.728 -32.259 4.271 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.432 -32.034 4.684 1.00 0.00 N ATOM 1688 CD2 HIS A 106 17.053 -33.499 4.705 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.993 -33.094 5.340 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.957 -33.995 5.367 1.00 0.00 N ATOM 0 H HIS A 106 17.492 -32.817 1.353 1.00 0.00 H new ATOM 0 HA HIS A 106 15.979 -30.437 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.539 -31.608 3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.569 -30.323 4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.997 -34.003 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.012 -33.204 5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.897 -34.912 5.809 1.00 0.00 H new ATOM 1695 N HIS A 107 17.383 -29.456 0.227 1.00 0.00 N ATOM 1696 CA HIS A 107 18.199 -28.592 -0.637 1.00 0.00 C ATOM 1697 C HIS A 107 18.696 -27.346 0.115 1.00 0.00 C ATOM 1698 O HIS A 107 17.958 -26.755 0.907 1.00 0.00 O ATOM 1699 CB HIS A 107 17.405 -28.170 -1.878 1.00 0.00 C ATOM 1700 CG HIS A 107 18.249 -27.556 -2.952 1.00 0.00 C ATOM 1701 ND1 HIS A 107 18.680 -26.247 -2.903 1.00 0.00 N ATOM 1702 CD2 HIS A 107 18.742 -28.073 -4.103 1.00 0.00 C ATOM 1703 CE1 HIS A 107 19.402 -25.984 -3.978 1.00 0.00 C ATOM 1704 NE2 HIS A 107 19.455 -27.075 -4.721 1.00 0.00 N ATOM 0 H HIS A 107 16.423 -29.585 -0.094 1.00 0.00 H new ATOM 0 HA HIS A 107 19.070 -29.169 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.893 -29.042 -2.285 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.635 -27.458 -1.581 1.00 0.00 H new ATOM 0 HD1 HIS A 107 18.474 -25.586 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.601 -29.080 -4.466 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.869 -25.038 -4.210 1.00 0.00 H new ATOM 1709 N HIS A 108 19.949 -26.966 -0.142 1.00 0.00 N ATOM 1710 CA HIS A 108 20.529 -25.729 0.404 1.00 0.00 C ATOM 1711 C HIS A 108 19.638 -24.491 0.181 1.00 0.00 C ATOM 1712 O HIS A 108 19.098 -24.279 -0.905 1.00 0.00 O ATOM 1713 CB HIS A 108 21.912 -25.482 -0.209 1.00 0.00 C ATOM 1714 CG HIS A 108 22.551 -24.206 0.244 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.079 -24.046 1.508 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.746 -23.030 -0.398 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.572 -22.825 1.623 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.383 -22.190 0.482 1.00 0.00 N ATOM 0 H HIS A 108 20.589 -27.500 -0.730 1.00 0.00 H new ATOM 0 HA HIS A 108 20.611 -25.874 1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.566 -26.316 0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.821 -25.467 -1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.455 -22.796 -1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.049 -22.416 2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 108 23.665 -21.230 0.285 1.00 0.00 H new ATOM 1723 N HIS A 109 19.494 -23.690 1.234 1.00 0.00 N ATOM 1724 CA HIS A 109 18.556 -22.562 1.255 1.00 0.00 C ATOM 1725 C HIS A 109 19.005 -21.530 2.302 1.00 0.00 C ATOM 1726 O HIS A 109 19.929 -21.784 3.078 1.00 0.00 O ATOM 1727 CB HIS A 109 17.130 -23.038 1.551 1.00 0.00 C ATOM 1728 CG HIS A 109 16.978 -23.682 2.894 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.277 -25.009 3.121 1.00 0.00 N ATOM 1730 CD2 HIS A 109 16.558 -23.183 4.080 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.048 -25.298 4.390 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.611 -24.207 4.993 1.00 0.00 N ATOM 0 H HIS A 109 20.023 -23.802 2.099 1.00 0.00 H new ATOM 0 HA HIS A 109 18.555 -22.095 0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.452 -22.187 1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.826 -23.747 0.781 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.621 -25.665 2.419 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.240 -22.169 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.193 -26.262 4.855 1.00 0.00 H new ATOM 1737 N HIS A 110 18.365 -20.367 2.324 1.00 0.00 N ATOM 1738 CA HIS A 110 18.681 -19.344 3.326 1.00 0.00 C ATOM 1739 C HIS A 110 17.410 -18.742 3.927 1.00 0.00 C ATOM 1740 O HIS A 110 16.382 -18.642 3.260 1.00 0.00 O ATOM 1741 CB HIS A 110 19.543 -18.236 2.714 1.00 0.00 C ATOM 1742 CG HIS A 110 20.882 -18.709 2.239 1.00 0.00 C ATOM 1743 ND1 HIS A 110 21.957 -18.873 3.089 1.00 0.00 N ATOM 1744 CD2 HIS A 110 21.322 -19.050 1.006 1.00 0.00 C ATOM 1745 CE1 HIS A 110 22.999 -19.299 2.397 1.00 0.00 C ATOM 1746 NE2 HIS A 110 22.640 -19.413 1.131 1.00 0.00 N ATOM 0 H HIS A 110 17.629 -20.106 1.667 1.00 0.00 H new ATOM 0 HA HIS A 110 19.241 -19.830 4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.006 -17.791 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.687 -17.449 3.454 1.00 0.00 H new ATOM 0 HD1 HIS A 110 21.948 -18.694 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.744 -19.039 0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 110 23.978 -19.517 2.798 1.00 0.00 H new ATOM 1751 N HIS A 111 17.504 -18.325 5.184 1.00 0.00 N ATOM 1752 CA HIS A 111 16.362 -17.759 5.906 1.00 0.00 C ATOM 1753 C HIS A 111 16.566 -16.242 6.135 1.00 0.00 C ATOM 1754 O HIS A 111 16.185 -15.450 5.250 1.00 0.00 O ATOM 1755 CB HIS A 111 16.157 -18.477 7.244 1.00 0.00 C ATOM 1756 CG HIS A 111 15.801 -19.925 7.101 1.00 0.00 C ATOM 1757 ND1 HIS A 111 14.505 -20.357 6.911 1.00 0.00 N ATOM 1758 CD2 HIS A 111 16.571 -21.038 7.121 1.00 0.00 C ATOM 1759 CE1 HIS A 111 14.494 -21.676 6.820 1.00 0.00 C ATOM 1760 NE2 HIS A 111 15.734 -22.113 6.944 1.00 0.00 N ATOM 1761 OXT HIS A 111 17.146 -15.856 7.170 1.00 0.00 O ATOM 0 H HIS A 111 18.364 -18.367 5.731 1.00 0.00 H new ATOM 0 HA HIS A 111 15.468 -17.903 5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 111 17.069 -18.393 7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 111 15.368 -17.971 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 111 17.642 -21.074 7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.619 -22.292 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.024 -23.091 6.913 1.00 0.00 H new TER 1766 HIS A 111