USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 966 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 102 TYR OH : rot -101:sc= 0.35 USER MOD Set 1.2: A 106 TYR OH : rot 35:sc= -0.443 USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-2.7) USER MOD Set 3.1: A 29 HIS : no HD1:sc= -6.72! C(o=-13!,f=-17!) USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= -6.16! C(o=-19!,f=-13!) USER MOD Set 3.3: A 33 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00934 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0333) USER MOD Single : A 16 CYS SG : rot 70:sc= -0.136 USER MOD Single : A 17 GLN : amide:sc= -0.378 K(o=-0.38,f=-4!) USER MOD Single : A 18 MET CE :methyl 173:sc= -0.669 (180deg=-0.763) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -72:sc= 0.00493 USER MOD Single : A 25 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.8!) USER MOD Single : A 27 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -97:sc= -0.273 USER MOD Single : A 42 ASN : amide:sc= -2! C(o=-2!,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -8.08! C(o=-11!,f=-8.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= 0.138 F(o=-3.2!,f=0.14) USER MOD Single : A 64 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-1.1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.86 K(o=-0.86,f=-5.5!) USER MOD Single : A 68 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.069) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.1 F(o=-2.8!,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.15 F(o=-0.73,f=0.15) USER MOD Single : A 93 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 85:sc= 0.523 USER MOD Single : A 105 THR OG1 : rot -74:sc= 0.93 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS :FLIP no HE2:sc= 0.0748 F(o=-0.61,f=0.075) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -59:sc= 0.583 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 15:sc= 1.2 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.429 -6.180 8.546 1.00 0.00 N ATOM 2 CA GLY A 1 13.354 -4.990 7.719 1.00 0.00 C ATOM 3 C GLY A 1 14.342 -5.021 6.568 1.00 0.00 C ATOM 4 O GLY A 1 14.321 -5.938 5.748 1.00 0.00 O ATOM 0 H1 GLY A 1 12.735 -6.111 9.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.221 -7.019 7.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.385 -6.265 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.343 -4.889 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.545 -4.111 8.334 1.00 0.00 H new ATOM 8 N SER A 2 15.209 -4.015 6.508 1.00 0.00 N ATOM 9 CA SER A 2 16.205 -3.928 5.447 1.00 0.00 C ATOM 10 C SER A 2 17.431 -4.773 5.781 1.00 0.00 C ATOM 11 O SER A 2 17.898 -4.786 6.921 1.00 0.00 O ATOM 12 CB SER A 2 16.621 -2.473 5.227 1.00 0.00 C ATOM 13 OG SER A 2 17.299 -1.958 6.361 1.00 0.00 O ATOM 0 H SER A 2 15.242 -3.249 7.181 1.00 0.00 H new ATOM 0 HA SER A 2 15.757 -4.314 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.267 -2.405 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.739 -1.867 5.021 1.00 0.00 H new ATOM 0 HG SER A 2 17.556 -1.027 6.194 1.00 0.00 H new ATOM 19 N SER A 3 17.946 -5.479 4.780 1.00 0.00 N ATOM 20 CA SER A 3 19.114 -6.331 4.967 1.00 0.00 C ATOM 21 C SER A 3 20.374 -5.649 4.441 1.00 0.00 C ATOM 22 O SER A 3 21.407 -5.628 5.109 1.00 0.00 O ATOM 23 CB SER A 3 18.913 -7.671 4.258 1.00 0.00 C ATOM 24 OG SER A 3 17.963 -8.472 4.940 1.00 0.00 O ATOM 0 H SER A 3 17.573 -5.478 3.831 1.00 0.00 H new ATOM 0 HA SER A 3 19.236 -6.508 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.580 -7.498 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.864 -8.201 4.198 1.00 0.00 H new ATOM 0 HG SER A 3 17.851 -9.322 4.466 1.00 0.00 H new ATOM 30 N GLY A 4 20.280 -5.090 3.239 1.00 0.00 N ATOM 31 CA GLY A 4 21.417 -4.414 2.643 1.00 0.00 C ATOM 32 C GLY A 4 21.833 -3.182 3.422 1.00 0.00 C ATOM 33 O GLY A 4 22.836 -3.200 4.134 1.00 0.00 O ATOM 0 H GLY A 4 19.436 -5.093 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.258 -5.105 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.170 -4.127 1.621 1.00 0.00 H new ATOM 37 N SER A 5 21.061 -2.109 3.285 1.00 0.00 N ATOM 38 CA SER A 5 21.357 -0.861 3.978 1.00 0.00 C ATOM 39 C SER A 5 20.079 -0.073 4.250 1.00 0.00 C ATOM 40 O SER A 5 19.019 -0.384 3.708 1.00 0.00 O ATOM 41 CB SER A 5 22.326 -0.013 3.152 1.00 0.00 C ATOM 42 OG SER A 5 23.561 -0.684 2.967 1.00 0.00 O ATOM 0 H SER A 5 20.226 -2.079 2.700 1.00 0.00 H new ATOM 0 HA SER A 5 21.822 -1.106 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.882 0.212 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.498 0.940 3.652 1.00 0.00 H new ATOM 0 HG SER A 5 24.162 -0.122 2.435 1.00 0.00 H new ATOM 48 N SER A 6 20.189 0.949 5.093 1.00 0.00 N ATOM 49 CA SER A 6 19.043 1.779 5.441 1.00 0.00 C ATOM 50 C SER A 6 18.309 2.245 4.187 1.00 0.00 C ATOM 51 O SER A 6 18.741 3.178 3.511 1.00 0.00 O ATOM 52 CB SER A 6 19.493 2.990 6.261 1.00 0.00 C ATOM 53 OG SER A 6 18.380 3.734 6.726 1.00 0.00 O ATOM 0 H SER A 6 21.061 1.222 5.547 1.00 0.00 H new ATOM 0 HA SER A 6 18.359 1.177 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.091 2.657 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.132 3.629 5.651 1.00 0.00 H new ATOM 0 HG SER A 6 18.695 4.501 7.248 1.00 0.00 H new ATOM 59 N GLY A 7 17.194 1.587 3.881 1.00 0.00 N ATOM 60 CA GLY A 7 16.417 1.947 2.710 1.00 0.00 C ATOM 61 C GLY A 7 15.669 3.253 2.888 1.00 0.00 C ATOM 62 O GLY A 7 14.908 3.414 3.842 1.00 0.00 O ATOM 0 H GLY A 7 16.816 0.811 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.080 2.026 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.705 1.151 2.492 1.00 0.00 H new ATOM 66 N ALA A 8 15.888 4.188 1.970 1.00 0.00 N ATOM 67 CA ALA A 8 15.228 5.487 2.031 1.00 0.00 C ATOM 68 C ALA A 8 13.752 5.370 1.665 1.00 0.00 C ATOM 69 O ALA A 8 13.293 4.318 1.217 1.00 0.00 O ATOM 70 CB ALA A 8 15.926 6.476 1.109 1.00 0.00 C ATOM 0 H ALA A 8 16.517 4.071 1.175 1.00 0.00 H new ATOM 0 HA ALA A 8 15.293 5.853 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.423 7.442 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.965 6.590 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.890 6.106 0.084 1.00 0.00 H new ATOM 76 N LYS A 9 13.011 6.456 1.859 1.00 0.00 N ATOM 77 CA LYS A 9 11.587 6.477 1.550 1.00 0.00 C ATOM 78 C LYS A 9 11.353 6.838 0.086 1.00 0.00 C ATOM 79 O LYS A 9 10.353 6.438 -0.510 1.00 0.00 O ATOM 80 CB LYS A 9 10.862 7.476 2.454 1.00 0.00 C ATOM 81 CG LYS A 9 11.115 8.927 2.083 1.00 0.00 C ATOM 82 CD LYS A 9 10.217 9.868 2.868 1.00 0.00 C ATOM 83 CE LYS A 9 10.766 10.128 4.262 1.00 0.00 C ATOM 84 NZ LYS A 9 11.916 11.075 4.237 1.00 0.00 N ATOM 0 H LYS A 9 13.374 7.334 2.229 1.00 0.00 H new ATOM 0 HA LYS A 9 11.188 5.479 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.791 7.280 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.175 7.314 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.159 9.175 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.944 9.066 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.120 10.812 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.217 9.440 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.976 10.533 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.081 9.186 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.164 11.345 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.733 10.617 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.654 11.925 3.698 1.00 0.00 H new ATOM 98 N ASP A 10 12.283 7.593 -0.488 1.00 0.00 N ATOM 99 CA ASP A 10 12.180 8.005 -1.884 1.00 0.00 C ATOM 100 C ASP A 10 11.981 6.797 -2.793 1.00 0.00 C ATOM 101 O ASP A 10 10.967 6.688 -3.483 1.00 0.00 O ATOM 102 CB ASP A 10 13.432 8.775 -2.304 1.00 0.00 C ATOM 103 CG ASP A 10 13.620 10.054 -1.511 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.722 9.972 -0.268 1.00 0.00 O ATOM 105 OD2 ASP A 10 13.666 11.136 -2.132 1.00 0.00 O ATOM 0 H ASP A 10 13.117 7.932 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 10 11.312 8.657 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.307 8.138 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.368 9.015 -3.365 1.00 0.00 H new ATOM 110 N ALA A 11 12.955 5.894 -2.791 1.00 0.00 N ATOM 111 CA ALA A 11 12.886 4.694 -3.614 1.00 0.00 C ATOM 112 C ALA A 11 11.493 4.075 -3.568 1.00 0.00 C ATOM 113 O ALA A 11 10.908 3.759 -4.605 1.00 0.00 O ATOM 114 CB ALA A 11 13.930 3.683 -3.163 1.00 0.00 C ATOM 0 H ALA A 11 13.802 5.971 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 11 13.094 4.979 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.867 2.792 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.924 4.121 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.748 3.412 -2.123 1.00 0.00 H new ATOM 120 N LEU A 12 10.968 3.902 -2.360 1.00 0.00 N ATOM 121 CA LEU A 12 9.642 3.320 -2.179 1.00 0.00 C ATOM 122 C LEU A 12 8.572 4.187 -2.835 1.00 0.00 C ATOM 123 O LEU A 12 7.662 3.679 -3.490 1.00 0.00 O ATOM 124 CB LEU A 12 9.337 3.153 -0.689 1.00 0.00 C ATOM 125 CG LEU A 12 8.025 2.445 -0.348 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.079 0.987 -0.776 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.731 2.557 1.141 1.00 0.00 C ATOM 0 H LEU A 12 11.439 4.156 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 12 9.633 2.341 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.156 2.598 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.324 4.141 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 12 7.217 2.932 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.137 0.499 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.242 0.930 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.896 0.486 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.794 2.048 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.540 2.095 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.648 3.608 1.417 1.00 0.00 H new ATOM 139 N LEU A 13 8.688 5.498 -2.655 1.00 0.00 N ATOM 140 CA LEU A 13 7.732 6.437 -3.231 1.00 0.00 C ATOM 141 C LEU A 13 7.574 6.203 -4.730 1.00 0.00 C ATOM 142 O LEU A 13 6.459 6.195 -5.254 1.00 0.00 O ATOM 143 CB LEU A 13 8.181 7.876 -2.973 1.00 0.00 C ATOM 144 CG LEU A 13 7.183 8.970 -3.355 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.098 9.096 -2.297 1.00 0.00 C ATOM 146 CD2 LEU A 13 7.897 10.299 -3.550 1.00 0.00 C ATOM 0 H LEU A 13 9.435 5.935 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 13 6.767 6.273 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.413 7.978 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.107 8.050 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 13 6.712 8.692 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.397 9.879 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.566 8.149 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.552 9.350 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.171 11.066 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.396 10.583 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.636 10.202 -4.345 1.00 0.00 H new ATOM 158 N LEU A 14 8.695 6.009 -5.414 1.00 0.00 N ATOM 159 CA LEU A 14 8.683 5.772 -6.854 1.00 0.00 C ATOM 160 C LEU A 14 7.884 4.517 -7.191 1.00 0.00 C ATOM 161 O LEU A 14 7.018 4.537 -8.066 1.00 0.00 O ATOM 162 CB LEU A 14 10.113 5.638 -7.382 1.00 0.00 C ATOM 163 CG LEU A 14 10.263 4.971 -8.750 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.617 5.822 -9.831 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.732 4.729 -9.065 1.00 0.00 C ATOM 0 H LEU A 14 9.625 6.011 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 14 8.205 6.626 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.554 6.633 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.695 5.069 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 14 9.754 4.008 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.733 5.332 -10.798 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.556 5.945 -9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.097 6.800 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.821 4.254 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.264 5.681 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.165 4.079 -8.305 1.00 0.00 H new ATOM 177 N TRP A 15 8.181 3.427 -6.491 1.00 0.00 N ATOM 178 CA TRP A 15 7.489 2.163 -6.716 1.00 0.00 C ATOM 179 C TRP A 15 5.978 2.347 -6.632 1.00 0.00 C ATOM 180 O TRP A 15 5.265 2.161 -7.619 1.00 0.00 O ATOM 181 CB TRP A 15 7.946 1.120 -5.695 1.00 0.00 C ATOM 182 CG TRP A 15 7.471 -0.266 -6.009 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.883 -1.060 -7.041 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.492 -1.021 -5.285 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.219 -2.263 -7.004 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.361 -2.264 -5.935 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.716 -0.769 -4.151 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.486 -3.249 -5.487 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.847 -1.748 -3.708 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.737 -2.975 -4.375 1.00 0.00 C ATOM 0 H TRP A 15 8.896 3.393 -5.764 1.00 0.00 H new ATOM 0 HA TRP A 15 7.738 1.814 -7.718 1.00 0.00 H new ATOM 0 HB2 TRP A 15 9.035 1.121 -5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.584 1.406 -4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.622 -0.783 -7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.344 -3.030 -7.665 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.794 0.174 -3.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.401 -4.196 -5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.242 -1.564 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.048 -3.719 -4.004 1.00 0.00 H new ATOM 201 N CYS A 16 5.495 2.715 -5.450 1.00 0.00 N ATOM 202 CA CYS A 16 4.067 2.924 -5.238 1.00 0.00 C ATOM 203 C CYS A 16 3.469 3.766 -6.360 1.00 0.00 C ATOM 204 O CYS A 16 2.336 3.538 -6.783 1.00 0.00 O ATOM 205 CB CYS A 16 3.825 3.602 -3.889 1.00 0.00 C ATOM 206 SG CYS A 16 4.508 2.703 -2.477 1.00 0.00 S ATOM 0 H CYS A 16 6.072 2.875 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 16 3.577 1.950 -5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.259 4.602 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.752 3.724 -3.743 1.00 0.00 H new ATOM 0 HG CYS A 16 5.806 2.764 -2.511 1.00 0.00 H new ATOM 212 N GLN A 17 4.238 4.741 -6.835 1.00 0.00 N ATOM 213 CA GLN A 17 3.781 5.619 -7.906 1.00 0.00 C ATOM 214 C GLN A 17 3.674 4.860 -9.224 1.00 0.00 C ATOM 215 O GLN A 17 2.747 5.076 -10.003 1.00 0.00 O ATOM 216 CB GLN A 17 4.736 6.805 -8.064 1.00 0.00 C ATOM 217 CG GLN A 17 4.585 7.856 -6.975 1.00 0.00 C ATOM 218 CD GLN A 17 5.736 8.841 -6.954 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.841 8.534 -7.401 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.483 10.035 -6.430 1.00 0.00 N ATOM 0 H GLN A 17 5.179 4.943 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 17 2.791 5.990 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.762 6.437 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.565 7.272 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.651 8.397 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.516 7.362 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.552 10.247 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.219 10.739 -6.387 1.00 0.00 H new ATOM 229 N MET A 18 4.630 3.968 -9.468 1.00 0.00 N ATOM 230 CA MET A 18 4.641 3.175 -10.692 1.00 0.00 C ATOM 231 C MET A 18 3.378 2.328 -10.803 1.00 0.00 C ATOM 232 O MET A 18 2.737 2.282 -11.854 1.00 0.00 O ATOM 233 CB MET A 18 5.877 2.276 -10.731 1.00 0.00 C ATOM 234 CG MET A 18 7.165 3.025 -11.032 1.00 0.00 C ATOM 235 SD MET A 18 8.476 1.942 -11.632 1.00 0.00 S ATOM 236 CE MET A 18 8.621 0.797 -10.264 1.00 0.00 C ATOM 0 H MET A 18 5.406 3.777 -8.834 1.00 0.00 H new ATOM 0 HA MET A 18 4.672 3.861 -11.539 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.977 1.769 -9.772 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.731 1.504 -11.486 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.967 3.796 -11.777 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.504 3.534 -10.130 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.304 -0.008 -10.534 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.007 1.322 -9.390 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.641 0.379 -10.034 1.00 0.00 H new ATOM 246 N LYS A 19 3.024 1.656 -9.712 1.00 0.00 N ATOM 247 CA LYS A 19 1.836 0.810 -9.685 1.00 0.00 C ATOM 248 C LYS A 19 0.566 1.655 -9.675 1.00 0.00 C ATOM 249 O LYS A 19 -0.314 1.482 -10.519 1.00 0.00 O ATOM 250 CB LYS A 19 1.863 -0.104 -8.458 1.00 0.00 C ATOM 251 CG LYS A 19 3.208 -0.769 -8.226 1.00 0.00 C ATOM 252 CD LYS A 19 3.669 -1.539 -9.451 1.00 0.00 C ATOM 253 CE LYS A 19 4.660 -2.633 -9.083 1.00 0.00 C ATOM 254 NZ LYS A 19 5.244 -3.281 -10.289 1.00 0.00 N ATOM 0 H LYS A 19 3.543 1.681 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 19 1.837 0.197 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.598 0.478 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.101 -0.875 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.950 -0.012 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.138 -1.446 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.806 -1.981 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.131 -0.853 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.460 -2.209 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.160 -3.385 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.914 -4.020 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.484 -3.708 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.743 -2.568 -10.859 1.00 0.00 H new ATOM 268 N THR A 20 0.477 2.571 -8.716 1.00 0.00 N ATOM 269 CA THR A 20 -0.684 3.443 -8.596 1.00 0.00 C ATOM 270 C THR A 20 -0.919 4.225 -9.883 1.00 0.00 C ATOM 271 O THR A 20 -2.039 4.648 -10.167 1.00 0.00 O ATOM 272 CB THR A 20 -0.524 4.435 -7.428 1.00 0.00 C ATOM 273 OG1 THR A 20 0.657 5.221 -7.612 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.448 3.698 -6.100 1.00 0.00 C ATOM 0 H THR A 20 1.196 2.728 -8.010 1.00 0.00 H new ATOM 0 HA THR A 20 -1.543 2.801 -8.402 1.00 0.00 H new ATOM 0 HB THR A 20 -1.396 5.089 -7.413 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.448 4.665 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.335 4.419 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.362 3.123 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.408 3.023 -6.107 1.00 0.00 H new ATOM 282 N ALA A 21 0.143 4.411 -10.659 1.00 0.00 N ATOM 283 CA ALA A 21 0.052 5.140 -11.919 1.00 0.00 C ATOM 284 C ALA A 21 -1.157 4.685 -12.729 1.00 0.00 C ATOM 285 O ALA A 21 -1.956 5.503 -13.184 1.00 0.00 O ATOM 286 CB ALA A 21 1.328 4.962 -12.726 1.00 0.00 C ATOM 0 H ALA A 21 1.077 4.067 -10.438 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.074 6.198 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.245 5.512 -13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.175 5.343 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.480 3.904 -12.938 1.00 0.00 H new ATOM 292 N GLY A 22 -1.285 3.373 -12.907 1.00 0.00 N ATOM 293 CA GLY A 22 -2.398 2.832 -13.665 1.00 0.00 C ATOM 294 C GLY A 22 -3.707 3.531 -13.351 1.00 0.00 C ATOM 295 O GLY A 22 -4.549 3.710 -14.230 1.00 0.00 O ATOM 0 H GLY A 22 -0.638 2.676 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.187 2.924 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.497 1.768 -13.450 1.00 0.00 H new ATOM 299 N TYR A 23 -3.877 3.925 -12.094 1.00 0.00 N ATOM 300 CA TYR A 23 -5.095 4.604 -11.666 1.00 0.00 C ATOM 301 C TYR A 23 -4.891 6.116 -11.628 1.00 0.00 C ATOM 302 O TYR A 23 -4.008 6.632 -10.942 1.00 0.00 O ATOM 303 CB TYR A 23 -5.526 4.102 -10.286 1.00 0.00 C ATOM 304 CG TYR A 23 -5.475 2.597 -10.147 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.294 1.951 -9.800 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.607 1.822 -10.361 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.244 0.576 -9.672 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.566 0.447 -10.234 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.382 -0.171 -9.890 1.00 0.00 C ATOM 310 OH TYR A 23 -5.336 -1.541 -9.763 1.00 0.00 O ATOM 0 H TYR A 23 -3.188 3.786 -11.354 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.879 4.379 -12.389 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.884 4.551 -9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.542 4.443 -10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.401 2.533 -9.628 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.536 2.302 -10.631 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.318 0.089 -9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.456 -0.141 -10.403 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.222 -1.917 -9.949 1.00 0.00 H new ATOM 320 N PRO A 24 -5.728 6.844 -12.382 1.00 0.00 N ATOM 321 CA PRO A 24 -5.661 8.306 -12.453 1.00 0.00 C ATOM 322 C PRO A 24 -6.101 8.970 -11.152 1.00 0.00 C ATOM 323 O PRO A 24 -5.645 10.061 -10.816 1.00 0.00 O ATOM 324 CB PRO A 24 -6.632 8.652 -13.584 1.00 0.00 C ATOM 325 CG PRO A 24 -7.592 7.512 -13.622 1.00 0.00 C ATOM 326 CD PRO A 24 -6.804 6.294 -13.225 1.00 0.00 C ATOM 0 HA PRO A 24 -4.644 8.659 -12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.144 9.595 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.110 8.762 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.424 7.679 -12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.018 7.394 -14.618 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.418 5.579 -12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.406 5.772 -14.095 1.00 0.00 H new ATOM 334 N ASN A 25 -6.990 8.301 -10.424 1.00 0.00 N ATOM 335 CA ASN A 25 -7.493 8.828 -9.159 1.00 0.00 C ATOM 336 C ASN A 25 -6.578 8.430 -8.004 1.00 0.00 C ATOM 337 O ASN A 25 -6.938 8.574 -6.836 1.00 0.00 O ATOM 338 CB ASN A 25 -8.912 8.318 -8.899 1.00 0.00 C ATOM 339 CG ASN A 25 -9.870 8.684 -10.015 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.472 9.261 -11.028 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.143 8.351 -9.834 1.00 0.00 N ATOM 0 H ASN A 25 -7.377 7.395 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.512 9.916 -9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.890 7.234 -8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.278 8.732 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.835 8.573 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.429 7.874 -8.979 1.00 0.00 H new ATOM 348 N VAL A 26 -5.392 7.932 -8.339 1.00 0.00 N ATOM 349 CA VAL A 26 -4.425 7.517 -7.331 1.00 0.00 C ATOM 350 C VAL A 26 -3.025 8.014 -7.674 1.00 0.00 C ATOM 351 O VAL A 26 -2.474 7.674 -8.720 1.00 0.00 O ATOM 352 CB VAL A 26 -4.391 5.983 -7.184 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.622 5.584 -5.933 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.804 5.421 -7.153 1.00 0.00 C ATOM 0 H VAL A 26 -5.078 7.806 -9.301 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.743 7.959 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.876 5.563 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.608 4.498 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.600 5.956 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.107 6.013 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.762 4.337 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.346 5.846 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.318 5.677 -8.080 1.00 0.00 H new ATOM 364 N ASN A 27 -2.455 8.821 -6.786 1.00 0.00 N ATOM 365 CA ASN A 27 -1.118 9.366 -6.994 1.00 0.00 C ATOM 366 C ASN A 27 -0.361 9.468 -5.674 1.00 0.00 C ATOM 367 O ASN A 27 -0.693 10.286 -4.816 1.00 0.00 O ATOM 368 CB ASN A 27 -1.204 10.743 -7.654 1.00 0.00 C ATOM 369 CG ASN A 27 -1.396 10.653 -9.156 1.00 0.00 C ATOM 370 OD1 ASN A 27 -0.974 9.686 -9.790 1.00 0.00 O ATOM 371 ND2 ASN A 27 -2.035 11.665 -9.732 1.00 0.00 N ATOM 0 H ASN A 27 -2.898 9.113 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.574 8.688 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.032 11.301 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.294 11.303 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.193 11.661 -10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.367 12.446 -9.167 1.00 0.00 H new ATOM 378 N VAL A 28 0.661 8.633 -5.518 1.00 0.00 N ATOM 379 CA VAL A 28 1.469 8.630 -4.304 1.00 0.00 C ATOM 380 C VAL A 28 2.514 9.740 -4.335 1.00 0.00 C ATOM 381 O VAL A 28 3.715 9.478 -4.281 1.00 0.00 O ATOM 382 CB VAL A 28 2.179 7.278 -4.106 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.942 7.264 -2.789 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.175 6.136 -4.160 1.00 0.00 C ATOM 0 H VAL A 28 0.949 7.949 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 28 0.787 8.800 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 28 2.895 7.141 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.437 6.301 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.688 8.058 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.247 7.423 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.694 5.188 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.434 6.265 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.677 6.135 -5.129 1.00 0.00 H new ATOM 394 N HIS A 29 2.047 10.982 -4.424 1.00 0.00 N ATOM 395 CA HIS A 29 2.941 12.134 -4.462 1.00 0.00 C ATOM 396 C HIS A 29 3.596 12.357 -3.102 1.00 0.00 C ATOM 397 O HIS A 29 4.478 13.204 -2.959 1.00 0.00 O ATOM 398 CB HIS A 29 2.175 13.387 -4.885 1.00 0.00 C ATOM 399 CG HIS A 29 1.097 13.783 -3.923 1.00 0.00 C ATOM 400 ND1 HIS A 29 0.647 15.080 -3.788 1.00 0.00 N ATOM 401 CD2 HIS A 29 0.377 13.044 -3.047 1.00 0.00 C ATOM 402 CE1 HIS A 29 -0.301 15.122 -2.869 1.00 0.00 C ATOM 403 NE2 HIS A 29 -0.484 13.899 -2.404 1.00 0.00 N ATOM 0 H HIS A 29 1.055 11.216 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 29 3.723 11.933 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.877 14.214 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.731 13.218 -5.866 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.464 11.980 -2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.835 16.005 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.156 13.633 -1.684 1.00 0.00 H new ATOM 412 N ASN A 30 3.158 11.594 -2.106 1.00 0.00 N ATOM 413 CA ASN A 30 3.700 11.711 -0.757 1.00 0.00 C ATOM 414 C ASN A 30 3.370 10.472 0.070 1.00 0.00 C ATOM 415 O ASN A 30 2.757 9.527 -0.424 1.00 0.00 O ATOM 416 CB ASN A 30 3.147 12.961 -0.070 1.00 0.00 C ATOM 417 CG ASN A 30 1.690 13.209 -0.407 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.954 12.138 -0.679 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.231 14.352 -0.424 1.00 0.00 N flip ATOM 0 H ASN A 30 2.429 10.888 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 30 4.784 11.797 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.255 12.857 1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.738 13.827 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.833 15.147 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.249 14.504 -0.654 1.00 0.00 H new ATOM 426 N PHE A 31 3.782 10.485 1.333 1.00 0.00 N ATOM 427 CA PHE A 31 3.532 9.364 2.231 1.00 0.00 C ATOM 428 C PHE A 31 2.623 9.781 3.384 1.00 0.00 C ATOM 429 O PHE A 31 2.676 9.207 4.471 1.00 0.00 O ATOM 430 CB PHE A 31 4.851 8.818 2.780 1.00 0.00 C ATOM 431 CG PHE A 31 5.605 7.971 1.795 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.988 6.903 1.164 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.931 8.243 1.499 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.681 6.122 0.258 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.628 7.466 0.593 1.00 0.00 C ATOM 436 CZ PHE A 31 7.002 6.404 -0.029 1.00 0.00 C ATOM 0 H PHE A 31 4.291 11.260 1.758 1.00 0.00 H new ATOM 0 HA PHE A 31 3.031 8.581 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.481 9.653 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.647 8.228 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.954 6.678 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.426 9.072 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.189 5.291 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.661 7.689 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.544 5.796 -0.738 1.00 0.00 H new ATOM 446 N THR A 32 1.788 10.787 3.137 1.00 0.00 N ATOM 447 CA THR A 32 0.869 11.284 4.152 1.00 0.00 C ATOM 448 C THR A 32 -0.539 11.443 3.590 1.00 0.00 C ATOM 449 O THR A 32 -1.456 10.712 3.966 1.00 0.00 O ATOM 450 CB THR A 32 1.338 12.636 4.721 1.00 0.00 C ATOM 451 OG1 THR A 32 2.055 13.367 3.719 1.00 0.00 O ATOM 452 CG2 THR A 32 2.225 12.432 5.940 1.00 0.00 C ATOM 0 H THR A 32 1.730 11.273 2.242 1.00 0.00 H new ATOM 0 HA THR A 32 0.855 10.546 4.954 1.00 0.00 H new ATOM 0 HB THR A 32 0.458 13.203 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.348 14.226 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.544 13.401 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.667 11.902 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.101 11.847 5.659 1.00 0.00 H new ATOM 460 N THR A 33 -0.705 12.402 2.684 1.00 0.00 N ATOM 461 CA THR A 33 -2.001 12.657 2.069 1.00 0.00 C ATOM 462 C THR A 33 -2.205 11.785 0.836 1.00 0.00 C ATOM 463 O THR A 33 -2.990 12.121 -0.051 1.00 0.00 O ATOM 464 CB THR A 33 -2.151 14.137 1.667 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.151 14.487 0.703 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.028 15.043 2.884 1.00 0.00 C ATOM 0 H THR A 33 0.043 13.015 2.360 1.00 0.00 H new ATOM 0 HA THR A 33 -2.758 12.412 2.814 1.00 0.00 H new ATOM 0 HB THR A 33 -3.140 14.273 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.254 15.429 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.137 16.083 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.808 14.794 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.051 14.902 3.345 1.00 0.00 H new ATOM 474 N SER A 34 -1.494 10.663 0.785 1.00 0.00 N ATOM 475 CA SER A 34 -1.597 9.743 -0.342 1.00 0.00 C ATOM 476 C SER A 34 -2.285 8.448 0.074 1.00 0.00 C ATOM 477 O SER A 34 -2.852 7.737 -0.757 1.00 0.00 O ATOM 478 CB SER A 34 -0.206 9.438 -0.905 1.00 0.00 C ATOM 479 OG SER A 34 -0.170 8.154 -1.503 1.00 0.00 O ATOM 0 H SER A 34 -0.840 10.369 1.511 1.00 0.00 H new ATOM 0 HA SER A 34 -2.199 10.220 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.066 10.194 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.533 9.492 -0.106 1.00 0.00 H new ATOM 0 HG SER A 34 0.192 7.505 -0.864 1.00 0.00 H new ATOM 485 N TRP A 35 -2.231 8.146 1.367 1.00 0.00 N ATOM 486 CA TRP A 35 -2.850 6.935 1.895 1.00 0.00 C ATOM 487 C TRP A 35 -3.874 7.273 2.973 1.00 0.00 C ATOM 488 O TRP A 35 -4.373 6.387 3.667 1.00 0.00 O ATOM 489 CB TRP A 35 -1.782 5.999 2.464 1.00 0.00 C ATOM 490 CG TRP A 35 -0.509 6.001 1.673 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.425 6.996 1.627 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.031 4.958 0.816 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.455 6.635 0.791 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.199 5.389 0.282 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.522 3.703 0.448 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.942 4.609 -0.600 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.217 2.929 -0.427 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.438 3.384 -0.942 1.00 0.00 C ATOM 0 H TRP A 35 -1.766 8.722 2.068 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.365 6.433 1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.564 6.290 3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.179 4.984 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.364 7.929 2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.277 7.203 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.462 3.344 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.882 4.958 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.153 1.957 -0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.992 2.755 -1.623 1.00 0.00 H new ATOM 509 N ARG A 36 -4.182 8.559 3.109 1.00 0.00 N ATOM 510 CA ARG A 36 -5.146 9.012 4.104 1.00 0.00 C ATOM 511 C ARG A 36 -6.499 8.338 3.897 1.00 0.00 C ATOM 512 O ARG A 36 -7.004 7.652 4.785 1.00 0.00 O ATOM 513 CB ARG A 36 -5.306 10.532 4.034 1.00 0.00 C ATOM 514 CG ARG A 36 -6.354 11.078 4.990 1.00 0.00 C ATOM 515 CD ARG A 36 -6.977 12.360 4.459 1.00 0.00 C ATOM 516 NE ARG A 36 -8.127 12.094 3.599 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.687 13.011 2.817 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.206 14.246 2.788 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.731 12.692 2.063 1.00 0.00 N ATOM 0 H ARG A 36 -3.778 9.305 2.543 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.770 8.737 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.347 11.000 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.573 10.814 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.132 10.331 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.898 11.269 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.287 12.986 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.229 12.922 3.900 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.522 11.153 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.404 14.495 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.638 14.948 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.104 11.743 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.161 13.396 1.463 1.00 0.00 H new ATOM 533 N ASP A 37 -7.080 8.539 2.719 1.00 0.00 N ATOM 534 CA ASP A 37 -8.375 7.950 2.395 1.00 0.00 C ATOM 535 C ASP A 37 -8.307 6.426 2.449 1.00 0.00 C ATOM 536 O ASP A 37 -9.134 5.782 3.092 1.00 0.00 O ATOM 537 CB ASP A 37 -8.832 8.403 1.008 1.00 0.00 C ATOM 538 CG ASP A 37 -9.106 9.893 0.947 1.00 0.00 C ATOM 539 OD1 ASP A 37 -8.136 10.678 1.004 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.290 10.274 0.842 1.00 0.00 O ATOM 0 H ASP A 37 -6.675 9.105 1.973 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.098 8.291 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.067 8.147 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.735 7.859 0.730 1.00 0.00 H new ATOM 545 N GLY A 38 -7.316 5.858 1.769 1.00 0.00 N ATOM 546 CA GLY A 38 -7.160 4.415 1.752 1.00 0.00 C ATOM 547 C GLY A 38 -7.050 3.861 0.346 1.00 0.00 C ATOM 548 O GLY A 38 -6.387 2.848 0.120 1.00 0.00 O ATOM 0 H GLY A 38 -6.619 6.371 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.269 4.142 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.010 3.955 2.255 1.00 0.00 H new ATOM 552 N LEU A 39 -7.702 4.524 -0.603 1.00 0.00 N ATOM 553 CA LEU A 39 -7.676 4.091 -1.996 1.00 0.00 C ATOM 554 C LEU A 39 -6.290 3.581 -2.381 1.00 0.00 C ATOM 555 O LEU A 39 -6.132 2.428 -2.781 1.00 0.00 O ATOM 556 CB LEU A 39 -8.082 5.243 -2.916 1.00 0.00 C ATOM 557 CG LEU A 39 -9.570 5.594 -2.934 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.822 6.803 -3.822 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.394 4.404 -3.405 1.00 0.00 C ATOM 0 H LEU A 39 -8.255 5.364 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.389 3.274 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.523 6.131 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.775 4.996 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.877 5.844 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.886 7.038 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.262 7.657 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.499 6.581 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.450 4.673 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.085 4.123 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.238 3.563 -2.730 1.00 0.00 H new ATOM 571 N ALA A 40 -5.291 4.447 -2.257 1.00 0.00 N ATOM 572 CA ALA A 40 -3.919 4.084 -2.587 1.00 0.00 C ATOM 573 C ALA A 40 -3.640 2.624 -2.247 1.00 0.00 C ATOM 574 O ALA A 40 -3.238 1.841 -3.107 1.00 0.00 O ATOM 575 CB ALA A 40 -2.941 4.995 -1.859 1.00 0.00 C ATOM 0 H ALA A 40 -5.406 5.406 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.785 4.211 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.920 4.712 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.116 6.029 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.085 4.898 -0.783 1.00 0.00 H new ATOM 581 N PHE A 41 -3.856 2.264 -0.985 1.00 0.00 N ATOM 582 CA PHE A 41 -3.626 0.898 -0.530 1.00 0.00 C ATOM 583 C PHE A 41 -4.451 -0.092 -1.347 1.00 0.00 C ATOM 584 O PHE A 41 -3.954 -1.140 -1.759 1.00 0.00 O ATOM 585 CB PHE A 41 -3.973 0.767 0.954 1.00 0.00 C ATOM 586 CG PHE A 41 -2.957 1.395 1.864 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.618 1.047 1.775 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.340 2.331 2.811 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.681 1.624 2.611 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.407 2.911 3.650 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.076 2.555 3.550 1.00 0.00 C ATOM 0 H PHE A 41 -4.190 2.899 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.570 0.667 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.944 1.228 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.070 -0.289 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.304 0.317 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.380 2.611 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.360 1.347 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.718 3.641 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.345 3.005 4.206 1.00 0.00 H new ATOM 601 N ASN A 42 -5.716 0.246 -1.576 1.00 0.00 N ATOM 602 CA ASN A 42 -6.611 -0.613 -2.342 1.00 0.00 C ATOM 603 C ASN A 42 -6.244 -0.600 -3.822 1.00 0.00 C ATOM 604 O ASN A 42 -6.890 -1.256 -4.639 1.00 0.00 O ATOM 605 CB ASN A 42 -8.062 -0.165 -2.160 1.00 0.00 C ATOM 606 CG ASN A 42 -8.482 -0.140 -0.703 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.717 -1.185 -0.096 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.579 1.057 -0.135 1.00 0.00 N ATOM 0 H ASN A 42 -6.144 1.109 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.503 -1.632 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.189 0.829 -2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.719 -0.837 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.858 1.136 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.374 1.897 -0.677 1.00 0.00 H new ATOM 615 N ALA A 43 -5.201 0.152 -4.161 1.00 0.00 N ATOM 616 CA ALA A 43 -4.747 0.250 -5.542 1.00 0.00 C ATOM 617 C ALA A 43 -3.572 -0.688 -5.801 1.00 0.00 C ATOM 618 O ALA A 43 -3.426 -1.226 -6.899 1.00 0.00 O ATOM 619 CB ALA A 43 -4.362 1.685 -5.871 1.00 0.00 C ATOM 0 H ALA A 43 -4.655 0.702 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.569 -0.051 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.025 1.743 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.227 2.334 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.558 2.007 -5.209 1.00 0.00 H new ATOM 625 N ILE A 44 -2.738 -0.877 -4.784 1.00 0.00 N ATOM 626 CA ILE A 44 -1.577 -1.750 -4.903 1.00 0.00 C ATOM 627 C ILE A 44 -1.997 -3.210 -5.036 1.00 0.00 C ATOM 628 O ILE A 44 -1.527 -3.924 -5.922 1.00 0.00 O ATOM 629 CB ILE A 44 -0.639 -1.607 -3.690 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.132 -0.168 -3.576 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.527 -2.577 -3.804 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.500 0.147 -2.238 1.00 0.00 C ATOM 0 H ILE A 44 -2.844 -0.438 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.044 -1.444 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.199 -1.848 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.597 0.015 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.964 0.516 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.181 -2.463 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.148 -3.598 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.089 -2.365 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.836 1.184 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.233 -0.003 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.353 -0.512 -2.074 1.00 0.00 H new ATOM 644 N VAL A 45 -2.888 -3.646 -4.152 1.00 0.00 N ATOM 645 CA VAL A 45 -3.375 -5.021 -4.172 1.00 0.00 C ATOM 646 C VAL A 45 -4.179 -5.300 -5.437 1.00 0.00 C ATOM 647 O VAL A 45 -3.791 -6.127 -6.263 1.00 0.00 O ATOM 648 CB VAL A 45 -4.251 -5.324 -2.942 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.777 -6.750 -3.000 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.470 -5.085 -1.659 1.00 0.00 C ATOM 0 H VAL A 45 -3.288 -3.068 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.498 -5.668 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.105 -4.647 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.394 -6.946 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.376 -6.881 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.939 -7.447 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.105 -5.304 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.595 -5.735 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.149 -4.044 -1.617 1.00 0.00 H new ATOM 660 N HIS A 46 -5.302 -4.604 -5.583 1.00 0.00 N ATOM 661 CA HIS A 46 -6.161 -4.775 -6.749 1.00 0.00 C ATOM 662 C HIS A 46 -5.331 -5.035 -8.003 1.00 0.00 C ATOM 663 O HIS A 46 -5.752 -5.767 -8.899 1.00 0.00 O ATOM 664 CB HIS A 46 -7.038 -3.539 -6.951 1.00 0.00 C ATOM 665 CG HIS A 46 -8.257 -3.797 -7.781 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.562 -3.077 -8.916 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.251 -4.704 -7.634 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.690 -3.529 -9.432 1.00 0.00 C ATOM 669 NE2 HIS A 46 -10.130 -4.517 -8.673 1.00 0.00 N ATOM 0 H HIS A 46 -5.638 -3.917 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.801 -5.639 -6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.346 -3.159 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.445 -2.757 -7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.337 -5.438 -6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.171 -3.155 -10.323 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.983 -5.053 -8.832 1.00 0.00 H new ATOM 678 N LYS A 47 -4.149 -4.430 -8.060 1.00 0.00 N ATOM 679 CA LYS A 47 -3.259 -4.595 -9.203 1.00 0.00 C ATOM 680 C LYS A 47 -2.752 -6.031 -9.294 1.00 0.00 C ATOM 681 O LYS A 47 -2.761 -6.635 -10.366 1.00 0.00 O ATOM 682 CB LYS A 47 -2.076 -3.630 -9.096 1.00 0.00 C ATOM 683 CG LYS A 47 -1.261 -3.524 -10.373 1.00 0.00 C ATOM 684 CD LYS A 47 -1.807 -2.447 -11.296 1.00 0.00 C ATOM 685 CE LYS A 47 -0.730 -1.909 -12.224 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.264 -0.872 -13.152 1.00 0.00 N ATOM 0 H LYS A 47 -3.785 -3.821 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.823 -4.370 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.448 -2.641 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.425 -3.955 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.223 -3.301 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.266 -4.484 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.627 -2.855 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.217 -1.631 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.080 -1.484 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.306 -2.730 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.499 -0.530 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.020 -1.284 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.646 -0.077 -12.601 1.00 0.00 H new ATOM 700 N HIS A 48 -2.311 -6.571 -8.162 1.00 0.00 N ATOM 701 CA HIS A 48 -1.802 -7.937 -8.115 1.00 0.00 C ATOM 702 C HIS A 48 -2.948 -8.944 -8.083 1.00 0.00 C ATOM 703 O HIS A 48 -2.941 -9.932 -8.817 1.00 0.00 O ATOM 704 CB HIS A 48 -0.905 -8.128 -6.892 1.00 0.00 C ATOM 705 CG HIS A 48 -0.015 -6.956 -6.613 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.082 -6.158 -5.525 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.914 -6.486 -7.516 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.060 -5.229 -5.786 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.547 -5.449 -6.994 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.296 -6.084 -7.266 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.215 -8.110 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.530 -8.315 -6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.289 -9.015 -7.039 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.469 -6.232 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.096 -6.900 -8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.379 -4.447 -5.113 1.00 0.00 H new ATOM 718 N ARG A 49 -3.932 -8.685 -7.227 1.00 0.00 N ATOM 719 CA ARG A 49 -5.084 -9.569 -7.098 1.00 0.00 C ATOM 720 C ARG A 49 -6.387 -8.782 -7.201 1.00 0.00 C ATOM 721 O ARG A 49 -6.990 -8.398 -6.198 1.00 0.00 O ATOM 722 CB ARG A 49 -5.032 -10.317 -5.764 1.00 0.00 C ATOM 723 CG ARG A 49 -3.733 -11.075 -5.541 1.00 0.00 C ATOM 724 CD ARG A 49 -3.707 -12.378 -6.326 1.00 0.00 C ATOM 725 NE ARG A 49 -4.542 -13.405 -5.710 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.536 -14.680 -6.084 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.742 -15.081 -7.067 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.325 -15.554 -5.474 1.00 0.00 N ATOM 0 H ARG A 49 -3.954 -7.871 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.050 -10.291 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.171 -9.604 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.865 -11.019 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.891 -10.452 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.611 -11.286 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.050 -12.195 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.681 -12.739 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.164 -13.129 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.134 -14.410 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.739 -16.060 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.937 -15.248 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.320 -16.533 -5.761 1.00 0.00 H new ATOM 742 N PRO A 50 -6.833 -8.535 -8.441 1.00 0.00 N ATOM 743 CA PRO A 50 -8.068 -7.792 -8.705 1.00 0.00 C ATOM 744 C PRO A 50 -9.313 -8.577 -8.310 1.00 0.00 C ATOM 745 O PRO A 50 -10.438 -8.116 -8.503 1.00 0.00 O ATOM 746 CB PRO A 50 -8.034 -7.572 -10.220 1.00 0.00 C ATOM 747 CG PRO A 50 -7.192 -8.683 -10.744 1.00 0.00 C ATOM 748 CD PRO A 50 -6.165 -8.962 -9.682 1.00 0.00 C ATOM 0 HA PRO A 50 -8.119 -6.869 -8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.037 -7.600 -10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.608 -6.600 -10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.795 -9.568 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.715 -8.402 -11.683 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.896 -10.018 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.245 -8.404 -9.856 1.00 0.00 H new ATOM 756 N ASP A 51 -9.104 -9.766 -7.753 1.00 0.00 N ATOM 757 CA ASP A 51 -10.211 -10.617 -7.329 1.00 0.00 C ATOM 758 C ASP A 51 -10.567 -10.356 -5.869 1.00 0.00 C ATOM 759 O ASP A 51 -11.741 -10.333 -5.500 1.00 0.00 O ATOM 760 CB ASP A 51 -9.854 -12.090 -7.525 1.00 0.00 C ATOM 761 CG ASP A 51 -9.366 -12.387 -8.929 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.092 -12.060 -9.892 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.258 -12.944 -9.067 1.00 0.00 O ATOM 0 H ASP A 51 -8.179 -10.162 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.078 -10.378 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.083 -12.372 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.728 -12.704 -7.310 1.00 0.00 H new ATOM 768 N LEU A 52 -9.545 -10.163 -5.042 1.00 0.00 N ATOM 769 CA LEU A 52 -9.749 -9.905 -3.620 1.00 0.00 C ATOM 770 C LEU A 52 -10.783 -8.803 -3.410 1.00 0.00 C ATOM 771 O LEU A 52 -11.843 -9.034 -2.827 1.00 0.00 O ATOM 772 CB LEU A 52 -8.427 -9.514 -2.958 1.00 0.00 C ATOM 773 CG LEU A 52 -7.333 -10.582 -2.962 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.185 -10.172 -2.053 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.899 -11.929 -2.536 1.00 0.00 C ATOM 0 H LEU A 52 -8.567 -10.180 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.122 -10.820 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.042 -8.626 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.630 -9.234 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.949 -10.678 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.415 -10.944 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.762 -9.231 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.554 -10.047 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.106 -12.676 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.311 -11.849 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.687 -12.228 -3.228 1.00 0.00 H new ATOM 787 N LEU A 53 -10.468 -7.604 -3.888 1.00 0.00 N ATOM 788 CA LEU A 53 -11.369 -6.466 -3.755 1.00 0.00 C ATOM 789 C LEU A 53 -11.747 -5.907 -5.123 1.00 0.00 C ATOM 790 O LEU A 53 -11.280 -6.392 -6.154 1.00 0.00 O ATOM 791 CB LEU A 53 -10.719 -5.372 -2.907 1.00 0.00 C ATOM 792 CG LEU A 53 -9.397 -4.812 -3.432 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.121 -3.442 -2.831 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.254 -5.769 -3.128 1.00 0.00 C ATOM 0 H LEU A 53 -9.594 -7.395 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.277 -6.810 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.426 -4.548 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.550 -5.768 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.475 -4.703 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.176 -3.059 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.926 -2.758 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.063 -3.526 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.321 -5.354 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.175 -5.911 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.446 -6.729 -3.607 1.00 0.00 H new ATOM 806 N ASP A 54 -12.594 -4.883 -5.125 1.00 0.00 N ATOM 807 CA ASP A 54 -13.032 -4.256 -6.366 1.00 0.00 C ATOM 808 C ASP A 54 -12.911 -2.737 -6.279 1.00 0.00 C ATOM 809 O ASP A 54 -13.784 -2.064 -5.732 1.00 0.00 O ATOM 810 CB ASP A 54 -14.477 -4.647 -6.677 1.00 0.00 C ATOM 811 CG ASP A 54 -14.577 -5.994 -7.367 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.196 -7.008 -6.745 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.035 -6.034 -8.528 1.00 0.00 O ATOM 0 H ASP A 54 -12.991 -4.470 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.387 -4.609 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.051 -4.673 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.929 -3.883 -7.310 1.00 0.00 H new ATOM 818 N PHE A 55 -11.822 -2.204 -6.823 1.00 0.00 N ATOM 819 CA PHE A 55 -11.584 -0.766 -6.806 1.00 0.00 C ATOM 820 C PHE A 55 -12.822 -0.005 -7.271 1.00 0.00 C ATOM 821 O PHE A 55 -13.284 0.919 -6.601 1.00 0.00 O ATOM 822 CB PHE A 55 -10.391 -0.413 -7.697 1.00 0.00 C ATOM 823 CG PHE A 55 -9.668 0.830 -7.266 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.846 0.818 -6.149 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.809 2.012 -7.975 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.178 1.961 -5.750 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.143 3.157 -7.581 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.329 3.132 -6.466 1.00 0.00 C ATOM 0 H PHE A 55 -11.090 -2.747 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.361 -0.473 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.691 -1.248 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.739 -0.284 -8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.726 -0.095 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.447 2.039 -8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.539 1.938 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.259 4.071 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.811 4.027 -6.154 1.00 0.00 H new ATOM 838 N GLU A 56 -13.355 -0.400 -8.424 1.00 0.00 N ATOM 839 CA GLU A 56 -14.538 0.246 -8.979 1.00 0.00 C ATOM 840 C GLU A 56 -15.720 0.134 -8.019 1.00 0.00 C ATOM 841 O GLU A 56 -16.611 0.984 -8.013 1.00 0.00 O ATOM 842 CB GLU A 56 -14.902 -0.379 -10.328 1.00 0.00 C ATOM 843 CG GLU A 56 -13.794 -0.280 -11.363 1.00 0.00 C ATOM 844 CD GLU A 56 -13.910 -1.335 -12.445 1.00 0.00 C ATOM 845 OE1 GLU A 56 -13.750 -2.532 -12.125 1.00 0.00 O ATOM 846 OE2 GLU A 56 -14.161 -0.966 -13.611 1.00 0.00 O ATOM 0 H GLU A 56 -12.986 -1.164 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.309 1.302 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.154 -1.429 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.795 0.110 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.817 0.709 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.829 -0.379 -10.867 1.00 0.00 H new ATOM 853 N SER A 57 -15.719 -0.920 -7.210 1.00 0.00 N ATOM 854 CA SER A 57 -16.792 -1.146 -6.249 1.00 0.00 C ATOM 855 C SER A 57 -16.654 -0.213 -5.050 1.00 0.00 C ATOM 856 O SER A 57 -17.635 0.370 -4.585 1.00 0.00 O ATOM 857 CB SER A 57 -16.787 -2.602 -5.780 1.00 0.00 C ATOM 858 OG SER A 57 -17.919 -2.882 -4.974 1.00 0.00 O ATOM 0 H SER A 57 -14.988 -1.631 -7.201 1.00 0.00 H new ATOM 0 HA SER A 57 -17.740 -0.934 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.779 -3.266 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.876 -2.803 -5.216 1.00 0.00 H new ATOM 0 HG SER A 57 -17.893 -3.819 -4.688 1.00 0.00 H new ATOM 864 N LEU A 58 -15.429 -0.076 -4.554 1.00 0.00 N ATOM 865 CA LEU A 58 -15.160 0.786 -3.409 1.00 0.00 C ATOM 866 C LEU A 58 -15.751 2.176 -3.622 1.00 0.00 C ATOM 867 O LEU A 58 -15.909 2.629 -4.757 1.00 0.00 O ATOM 868 CB LEU A 58 -13.653 0.892 -3.169 1.00 0.00 C ATOM 869 CG LEU A 58 -12.907 -0.430 -2.985 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.409 -0.189 -2.890 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.412 -1.159 -1.748 1.00 0.00 C ATOM 0 H LEU A 58 -14.607 -0.551 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.632 0.342 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.208 1.423 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.489 1.505 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.098 -1.058 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.895 -1.141 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.059 0.290 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.198 0.457 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.870 -2.098 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.251 -0.536 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.477 -1.366 -1.857 1.00 0.00 H new ATOM 883 N LYS A 59 -16.076 2.850 -2.524 1.00 0.00 N ATOM 884 CA LYS A 59 -16.647 4.191 -2.590 1.00 0.00 C ATOM 885 C LYS A 59 -15.620 5.240 -2.175 1.00 0.00 C ATOM 886 O LYS A 59 -14.873 5.047 -1.215 1.00 0.00 O ATOM 887 CB LYS A 59 -17.881 4.286 -1.690 1.00 0.00 C ATOM 888 CG LYS A 59 -18.998 3.336 -2.088 1.00 0.00 C ATOM 889 CD LYS A 59 -20.104 3.310 -1.048 1.00 0.00 C ATOM 890 CE LYS A 59 -19.745 2.411 0.126 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.868 2.291 1.096 1.00 0.00 N ATOM 0 H LYS A 59 -15.954 2.490 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.941 4.384 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.587 4.077 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.259 5.308 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.409 3.640 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.594 2.332 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.291 4.322 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.028 2.959 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.477 1.421 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.867 2.810 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.584 1.671 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.108 3.232 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.698 1.886 0.618 1.00 0.00 H new ATOM 905 N LYS A 60 -15.589 6.351 -2.902 1.00 0.00 N ATOM 906 CA LYS A 60 -14.657 7.433 -2.609 1.00 0.00 C ATOM 907 C LYS A 60 -15.067 8.176 -1.341 1.00 0.00 C ATOM 908 O LYS A 60 -14.248 8.403 -0.451 1.00 0.00 O ATOM 909 CB LYS A 60 -14.589 8.409 -3.785 1.00 0.00 C ATOM 910 CG LYS A 60 -13.722 9.627 -3.516 1.00 0.00 C ATOM 911 CD LYS A 60 -12.271 9.373 -3.892 1.00 0.00 C ATOM 912 CE LYS A 60 -11.550 10.667 -4.233 1.00 0.00 C ATOM 913 NZ LYS A 60 -11.349 11.524 -3.031 1.00 0.00 N ATOM 0 H LYS A 60 -16.200 6.526 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.671 6.996 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.203 7.885 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.598 8.739 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.102 10.477 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.784 9.893 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.761 8.878 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.228 8.696 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.583 10.437 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.124 11.217 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.854 12.397 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.273 11.765 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.780 11.009 -2.329 1.00 0.00 H new ATOM 927 N CYS A 61 -16.339 8.551 -1.267 1.00 0.00 N ATOM 928 CA CYS A 61 -16.859 9.268 -0.108 1.00 0.00 C ATOM 929 C CYS A 61 -16.425 8.591 1.189 1.00 0.00 C ATOM 930 O CYS A 61 -15.866 9.233 2.078 1.00 0.00 O ATOM 931 CB CYS A 61 -18.385 9.345 -0.170 1.00 0.00 C ATOM 932 SG CYS A 61 -19.134 10.274 1.187 1.00 0.00 S ATOM 0 H CYS A 61 -17.029 8.371 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.451 10.279 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.677 9.804 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.789 8.333 -0.169 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.426 10.284 1.045 1.00 0.00 H new ATOM 938 N ASN A 62 -16.688 7.293 1.290 1.00 0.00 N ATOM 939 CA ASN A 62 -16.327 6.530 2.479 1.00 0.00 C ATOM 940 C ASN A 62 -14.878 6.057 2.403 1.00 0.00 C ATOM 941 O ASN A 62 -14.518 5.265 1.534 1.00 0.00 O ATOM 942 CB ASN A 62 -17.259 5.327 2.641 1.00 0.00 C ATOM 943 CG ASN A 62 -17.419 4.912 4.091 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.315 4.900 4.829 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -18.523 4.606 4.542 1.00 0.00 N flip ATOM 0 H ASN A 62 -17.150 6.747 0.563 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.433 7.183 3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.237 5.570 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.868 4.487 2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.345 4.629 3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.616 4.329 5.519 1.00 0.00 H new ATOM 952 N ALA A 63 -14.052 6.551 3.320 1.00 0.00 N ATOM 953 CA ALA A 63 -12.643 6.179 3.359 1.00 0.00 C ATOM 954 C ALA A 63 -12.381 5.136 4.440 1.00 0.00 C ATOM 955 O ALA A 63 -11.695 4.140 4.204 1.00 0.00 O ATOM 956 CB ALA A 63 -11.778 7.409 3.588 1.00 0.00 C ATOM 0 H ALA A 63 -14.335 7.210 4.046 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.382 5.740 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.728 7.116 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.935 8.121 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.049 7.873 4.536 1.00 0.00 H new ATOM 962 N HIS A 64 -12.931 5.370 5.628 1.00 0.00 N ATOM 963 CA HIS A 64 -12.755 4.451 6.746 1.00 0.00 C ATOM 964 C HIS A 64 -12.972 3.008 6.303 1.00 0.00 C ATOM 965 O HIS A 64 -12.144 2.136 6.566 1.00 0.00 O ATOM 966 CB HIS A 64 -13.723 4.800 7.878 1.00 0.00 C ATOM 967 CG HIS A 64 -13.221 4.415 9.235 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.659 3.186 9.509 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.198 5.106 10.399 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.313 3.137 10.784 1.00 0.00 C ATOM 971 NE2 HIS A 64 -12.630 4.290 11.346 1.00 0.00 N ATOM 0 H HIS A 64 -13.502 6.188 5.840 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.732 4.551 7.108 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.916 5.873 7.862 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.675 4.302 7.697 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.559 6.112 10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.850 2.298 11.281 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.478 4.534 12.325 1.00 0.00 H new ATOM 980 N TYR A 65 -14.091 2.763 5.628 1.00 0.00 N ATOM 981 CA TYR A 65 -14.418 1.425 5.150 1.00 0.00 C ATOM 982 C TYR A 65 -13.383 0.939 4.140 1.00 0.00 C ATOM 983 O TYR A 65 -13.051 -0.245 4.096 1.00 0.00 O ATOM 984 CB TYR A 65 -15.811 1.413 4.518 1.00 0.00 C ATOM 985 CG TYR A 65 -16.178 0.089 3.886 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.775 -0.222 2.593 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.926 -0.851 4.583 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.109 -1.429 2.012 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.263 -2.062 4.010 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.852 -2.347 2.725 1.00 0.00 C ATOM 991 OH TYR A 65 -17.186 -3.552 2.150 1.00 0.00 O ATOM 0 H TYR A 65 -14.786 3.474 5.400 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.409 0.749 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.549 1.659 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.864 2.195 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.190 0.493 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.250 -0.632 5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.790 -1.653 1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.845 -2.782 4.566 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.709 -4.084 2.785 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.879 1.863 3.329 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.881 1.530 2.318 1.00 0.00 C ATOM 1003 C ASN A 66 -10.582 1.065 2.969 1.00 0.00 C ATOM 1004 O ASN A 66 -9.916 0.157 2.471 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.611 2.739 1.421 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.538 2.786 0.220 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.306 1.856 -0.021 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.468 3.874 -0.539 1.00 0.00 N ATOM 0 H ASN A 66 -13.145 2.848 3.352 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.274 0.715 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.728 3.653 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.577 2.710 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.067 3.962 -1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.816 4.621 -0.301 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.226 1.696 4.084 1.00 0.00 N ATOM 1016 CA LEU A 67 -9.006 1.347 4.804 1.00 0.00 C ATOM 1017 C LEU A 67 -9.129 -0.029 5.450 1.00 0.00 C ATOM 1018 O LEU A 67 -8.491 -0.988 5.016 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.703 2.399 5.872 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.324 3.788 5.357 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.512 4.830 6.448 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.888 3.795 4.852 1.00 0.00 C ATOM 0 H LEU A 67 -10.765 2.451 4.508 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.186 1.319 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.578 2.498 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.889 2.030 6.496 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.982 4.039 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.238 5.812 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.555 4.842 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.878 4.583 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.635 4.791 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.215 3.523 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.785 3.076 4.040 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.956 -0.119 6.487 1.00 0.00 N ATOM 1035 CA GLN A 68 -10.164 -1.378 7.191 1.00 0.00 C ATOM 1036 C GLN A 68 -10.184 -2.550 6.215 1.00 0.00 C ATOM 1037 O GLN A 68 -9.660 -3.624 6.508 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.473 -1.336 7.982 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.695 -1.701 7.156 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.992 -1.505 7.914 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -14.847 -2.392 7.947 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.148 -0.339 8.531 1.00 0.00 N ATOM 0 H GLN A 68 -10.493 0.665 6.858 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.334 -1.519 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.399 -2.020 8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.608 -0.335 8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.712 -1.093 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.617 -2.741 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.415 0.368 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.001 -0.151 9.058 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.793 -2.336 5.054 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.883 -3.376 4.034 1.00 0.00 C ATOM 1053 C ASN A 69 -9.493 -3.843 3.610 1.00 0.00 C ATOM 1054 O ASN A 69 -9.189 -5.034 3.649 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.655 -2.862 2.818 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.976 -3.965 1.828 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.926 -4.726 2.017 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.184 -4.057 0.766 1.00 0.00 N ATOM 0 H ASN A 69 -11.232 -1.452 4.795 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.417 -4.225 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.582 -2.395 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.070 -2.089 2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.351 -4.780 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.408 -3.405 0.650 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.655 -2.894 3.205 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.298 -3.207 2.775 1.00 0.00 C ATOM 1067 C ALA A 70 -6.471 -3.762 3.930 1.00 0.00 C ATOM 1068 O ALA A 70 -5.789 -4.777 3.786 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.631 -1.969 2.193 1.00 0.00 C ATOM 0 H ALA A 70 -8.892 -1.903 3.166 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.355 -3.973 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.618 -2.217 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.204 -1.616 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.593 -1.186 2.951 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.537 -3.091 5.075 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.792 -3.516 6.255 1.00 0.00 C ATOM 1077 C PHE A 71 -6.095 -4.974 6.592 1.00 0.00 C ATOM 1078 O PHE A 71 -5.198 -5.740 6.942 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.132 -2.623 7.449 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.409 -1.306 7.438 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.028 -1.259 7.536 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.111 -0.117 7.329 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.361 -0.049 7.527 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.449 1.096 7.319 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.071 1.130 7.417 1.00 0.00 C ATOM 0 H PHE A 71 -7.099 -2.251 5.211 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.728 -3.425 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.206 -2.439 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.890 -3.154 8.370 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.467 -2.178 7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.188 -0.138 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.284 -0.025 7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.008 2.016 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.551 2.076 7.408 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.366 -5.348 6.485 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.789 -6.712 6.780 1.00 0.00 C ATOM 1097 C ASN A 72 -7.397 -7.659 5.649 1.00 0.00 C ATOM 1098 O ASN A 72 -6.788 -8.704 5.882 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.301 -6.762 7.002 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.747 -5.874 8.146 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.878 -5.200 7.966 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.084 -5.794 9.180 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.121 -4.726 6.196 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.285 -7.034 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.810 -6.455 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.602 -7.790 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.221 -6.330 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.397 -5.192 9.941 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.751 -7.286 4.424 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.436 -8.102 3.256 1.00 0.00 C ATOM 1111 C LEU A 73 -5.965 -8.502 3.251 1.00 0.00 C ATOM 1112 O LEU A 73 -5.632 -9.686 3.259 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.774 -7.342 1.972 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.197 -7.523 1.440 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.420 -6.658 0.208 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.465 -8.986 1.122 1.00 0.00 C ATOM 0 H LEU A 73 -8.256 -6.425 4.214 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.039 -9.009 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.605 -6.279 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.075 -7.652 1.195 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.897 -7.206 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.437 -6.800 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.270 -5.610 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.712 -6.944 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.482 -9.096 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.759 -9.329 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.347 -9.582 2.027 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.086 -7.504 3.239 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.649 -7.751 3.237 1.00 0.00 C ATOM 1130 C ALA A 74 -3.222 -8.508 4.490 1.00 0.00 C ATOM 1131 O ALA A 74 -2.084 -8.968 4.589 1.00 0.00 O ATOM 1132 CB ALA A 74 -2.888 -6.438 3.125 1.00 0.00 C ATOM 0 H ALA A 74 -5.344 -6.517 3.231 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.412 -8.370 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.816 -6.637 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.164 -5.936 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.138 -5.799 3.972 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.139 -8.632 5.443 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.854 -9.333 6.691 1.00 0.00 C ATOM 1140 C GLU A 75 -4.344 -10.777 6.627 1.00 0.00 C ATOM 1141 O GLU A 75 -3.830 -11.650 7.327 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.511 -8.611 7.869 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.068 -9.131 9.225 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.122 -8.937 10.298 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.317 -9.142 9.997 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.754 -8.581 11.436 1.00 0.00 O ATOM 0 H GLU A 75 -5.085 -8.257 5.376 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.774 -9.340 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.283 -7.547 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.593 -8.710 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.830 -10.191 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.152 -8.621 9.524 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.342 -11.020 5.784 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.903 -12.357 5.629 1.00 0.00 C ATOM 1155 C LYS A 76 -5.264 -13.081 4.447 1.00 0.00 C ATOM 1156 O LYS A 76 -4.673 -14.147 4.608 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.418 -12.277 5.431 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.084 -13.633 5.274 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.276 -14.319 6.617 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.436 -13.712 7.392 1.00 0.00 C ATOM 1161 NZ LYS A 76 -9.396 -14.084 8.833 1.00 0.00 N ATOM 0 H LYS A 76 -5.779 -10.309 5.198 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.690 -12.921 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.860 -11.761 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.629 -11.674 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.051 -13.510 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.477 -14.265 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.458 -15.382 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.361 -14.235 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.408 -12.627 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.378 -14.046 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.203 -13.651 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.448 -15.119 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.509 -13.743 9.255 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.386 -12.490 3.261 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.818 -13.081 2.055 1.00 0.00 C ATOM 1177 C GLU A 77 -3.295 -13.119 2.132 1.00 0.00 C ATOM 1178 O GLU A 77 -2.695 -14.188 2.248 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.257 -12.290 0.820 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.756 -12.047 0.754 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.540 -13.315 0.469 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.994 -14.208 -0.212 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.697 -13.411 0.927 1.00 0.00 O ATOM 0 H GLU A 77 -5.871 -11.606 3.111 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.185 -14.104 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.741 -11.330 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.945 -12.828 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.093 -11.620 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.967 -11.311 -0.022 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.675 -11.946 2.065 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.221 -11.844 2.127 1.00 0.00 C ATOM 1192 C LEU A 78 -0.694 -12.381 3.454 1.00 0.00 C ATOM 1193 O LEU A 78 0.292 -13.117 3.490 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.784 -10.390 1.943 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.449 -9.629 0.796 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.070 -8.157 0.841 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.065 -10.240 -0.543 1.00 0.00 C ATOM 0 H LEU A 78 -3.156 -11.052 1.968 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.804 -12.447 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.980 -9.853 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.295 -10.373 1.787 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.530 -9.708 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.553 -7.632 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.397 -7.726 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.012 -8.057 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.548 -9.685 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.017 -10.193 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.389 -11.280 -0.574 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.360 -12.011 4.543 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.944 -12.467 5.857 1.00 0.00 C ATOM 1211 C GLY A 79 -0.051 -11.466 6.563 1.00 0.00 C ATOM 1212 O GLY A 79 0.814 -11.844 7.354 1.00 0.00 O ATOM 0 H GLY A 79 -2.180 -11.404 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.826 -12.656 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.415 -13.415 5.758 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.260 -10.185 6.277 1.00 0.00 N ATOM 1217 CA LEU A 80 0.534 -9.125 6.889 1.00 0.00 C ATOM 1218 C LEU A 80 -0.057 -8.708 8.231 1.00 0.00 C ATOM 1219 O LEU A 80 -1.276 -8.649 8.394 1.00 0.00 O ATOM 1220 CB LEU A 80 0.613 -7.916 5.955 1.00 0.00 C ATOM 1221 CG LEU A 80 1.351 -8.135 4.634 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.035 -7.017 3.654 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.851 -8.231 4.871 1.00 0.00 C ATOM 0 H LEU A 80 -0.972 -9.856 5.625 1.00 0.00 H new ATOM 0 HA LEU A 80 1.539 -9.510 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.402 -7.588 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.100 -7.101 6.489 1.00 0.00 H new ATOM 0 HG LEU A 80 1.011 -9.076 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.569 -7.190 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.037 -6.995 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.346 -6.062 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.360 -8.387 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.207 -7.307 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.061 -9.068 5.537 1.00 0.00 H new ATOM 1235 N THR A 81 0.814 -8.416 9.192 1.00 0.00 N ATOM 1236 CA THR A 81 0.379 -8.003 10.519 1.00 0.00 C ATOM 1237 C THR A 81 0.010 -6.524 10.541 1.00 0.00 C ATOM 1238 O THR A 81 0.876 -5.655 10.449 1.00 0.00 O ATOM 1239 CB THR A 81 1.471 -8.263 11.575 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.709 -9.669 11.696 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.065 -7.693 12.925 1.00 0.00 C ATOM 0 H THR A 81 1.826 -8.458 9.075 1.00 0.00 H new ATOM 0 HA THR A 81 -0.501 -8.598 10.762 1.00 0.00 H new ATOM 0 HB THR A 81 2.386 -7.767 11.250 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.405 -9.826 12.367 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.851 -7.889 13.654 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.913 -6.617 12.835 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.139 -8.164 13.255 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.284 -6.245 10.664 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.770 -4.870 10.699 1.00 0.00 C ATOM 1251 C LYS A 82 -0.957 -4.031 11.680 1.00 0.00 C ATOM 1252 O LYS A 82 -1.024 -4.235 12.893 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.249 -4.841 11.092 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.191 -5.095 9.928 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.637 -4.824 10.311 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.175 -5.892 11.251 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.269 -5.371 12.115 1.00 0.00 N ATOM 0 H LYS A 82 -2.015 -6.953 10.741 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.656 -4.445 9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.427 -5.591 11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.481 -3.871 11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.911 -4.460 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.089 -6.128 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.711 -3.847 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.252 -4.786 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.543 -6.736 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.365 -6.266 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.608 -6.129 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.911 -4.582 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.053 -5.037 11.519 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.189 -3.086 11.148 1.00 0.00 N ATOM 1272 CA LEU A 83 0.636 -2.214 11.976 1.00 0.00 C ATOM 1273 C LEU A 83 -0.091 -0.909 12.287 1.00 0.00 C ATOM 1274 O LEU A 83 0.085 -0.328 13.358 1.00 0.00 O ATOM 1275 CB LEU A 83 1.962 -1.917 11.275 1.00 0.00 C ATOM 1276 CG LEU A 83 2.672 -3.117 10.645 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.801 -2.652 9.738 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.199 -4.051 11.723 1.00 0.00 C ATOM 0 H LEU A 83 -0.121 -2.904 10.147 1.00 0.00 H new ATOM 0 HA LEU A 83 0.836 -2.730 12.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.780 -1.177 10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.637 -1.459 11.998 1.00 0.00 H new ATOM 0 HG LEU A 83 1.951 -3.666 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.295 -3.519 9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.395 -2.024 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.523 -2.079 10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.701 -4.899 11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.906 -3.514 12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.369 -4.411 12.331 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.910 -0.456 11.344 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.667 0.780 11.517 1.00 0.00 C ATOM 1292 C LEU A 84 -3.161 0.492 11.623 1.00 0.00 C ATOM 1293 O LEU A 84 -3.582 -0.665 11.623 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.400 1.732 10.351 1.00 0.00 C ATOM 1295 CG LEU A 84 0.068 2.056 10.071 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.207 2.810 8.758 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.664 2.862 11.217 1.00 0.00 C ATOM 0 H LEU A 84 -1.067 -0.925 10.452 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.340 1.251 12.444 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.834 1.301 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.927 2.666 10.543 1.00 0.00 H new ATOM 0 HG LEU A 84 0.618 1.119 9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.258 3.032 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.181 2.198 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.356 3.742 8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.709 3.084 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.111 3.795 11.332 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.599 2.286 12.140 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.957 1.552 11.711 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.406 1.414 11.814 1.00 0.00 C ATOM 1311 C ASP A 85 -6.110 2.351 10.837 1.00 0.00 C ATOM 1312 O ASP A 85 -5.584 3.394 10.451 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.866 1.705 13.243 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.486 0.602 14.210 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.420 -0.019 14.013 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -6.254 0.359 15.165 1.00 0.00 O ATOM 0 H ASP A 85 -3.624 2.516 11.713 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.670 0.388 11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.428 2.645 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.948 1.836 13.253 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.330 1.969 10.428 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.133 2.761 9.492 1.00 0.00 C ATOM 1323 C PRO A 86 -8.640 4.057 10.114 1.00 0.00 C ATOM 1324 O PRO A 86 -9.335 4.837 9.464 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.305 1.834 9.159 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.419 0.928 10.336 1.00 0.00 C ATOM 1327 CD PRO A 86 -8.018 0.737 10.848 1.00 0.00 C ATOM 0 HA PRO A 86 -7.555 3.071 8.621 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.224 2.399 9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.118 1.272 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.059 1.364 11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.865 -0.026 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.999 0.616 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.551 -0.150 10.420 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.287 4.280 11.376 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.707 5.483 12.085 1.00 0.00 C ATOM 1337 C GLU A 87 -7.523 6.417 12.322 1.00 0.00 C ATOM 1338 O GLU A 87 -7.671 7.639 12.309 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.354 5.114 13.421 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.528 4.146 14.251 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.132 3.886 15.618 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -9.595 4.854 16.256 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -9.141 2.714 16.048 1.00 0.00 O ATOM 0 H GLU A 87 -7.712 3.644 11.928 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.439 6.002 11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.520 6.024 13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.333 4.673 13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.434 3.202 13.714 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.521 4.545 14.373 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.350 5.832 12.537 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.141 6.611 12.775 1.00 0.00 C ATOM 1352 C ASP A 88 -4.614 7.210 11.475 1.00 0.00 C ATOM 1353 O ASP A 88 -4.250 8.384 11.423 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.064 5.736 13.421 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.387 5.388 14.861 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.141 4.417 15.082 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.887 6.086 15.766 1.00 0.00 O ATOM 0 H ASP A 88 -6.211 4.822 12.551 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.392 7.426 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.952 4.818 12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.106 6.255 13.382 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.575 6.393 10.427 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.093 6.842 9.125 1.00 0.00 C ATOM 1364 C VAL A 89 -4.980 7.947 8.562 1.00 0.00 C ATOM 1365 O VAL A 89 -4.496 9.014 8.187 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.037 5.680 8.116 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.610 6.183 6.746 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.097 4.591 8.610 1.00 0.00 C ATOM 0 H VAL A 89 -4.871 5.417 10.454 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.086 7.230 9.277 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.035 5.252 8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.576 5.348 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.326 6.925 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.622 6.637 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.069 3.778 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.095 5.003 8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.452 4.211 9.568 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.281 7.685 8.507 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.237 8.657 7.989 1.00 0.00 C ATOM 1380 C ASN A 90 -7.177 9.956 8.788 1.00 0.00 C ATOM 1381 O ASN A 90 -7.981 10.178 9.694 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.654 8.083 8.032 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.685 9.048 7.477 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -10.241 8.716 6.318 1.00 0.00 O flip ATOM 1385 ND2 ASN A 90 -9.977 10.078 8.084 1.00 0.00 N flip ATOM 0 H ASN A 90 -6.698 6.807 8.815 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.973 8.875 6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.685 7.155 7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.911 7.833 9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.524 10.292 8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.672 10.717 7.699 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.219 10.811 8.446 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.055 12.089 9.130 1.00 0.00 C ATOM 1394 C VAL A 91 -5.471 13.142 8.195 1.00 0.00 C ATOM 1395 O VAL A 91 -4.861 12.813 7.177 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.144 11.952 10.365 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.738 11.546 9.948 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.120 13.251 11.155 1.00 0.00 C ATOM 0 H VAL A 91 -5.545 10.642 7.700 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.047 12.405 9.453 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.547 11.170 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.108 11.454 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.775 10.589 9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.322 12.304 9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.472 13.137 12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.741 14.054 10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.130 13.495 11.485 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.660 14.408 8.547 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.150 15.511 7.740 1.00 0.00 C ATOM 1410 C ASP A 92 -3.666 15.326 7.444 1.00 0.00 C ATOM 1411 O ASP A 92 -3.245 15.357 6.289 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.379 16.843 8.456 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.840 17.082 8.782 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.652 17.163 7.837 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.171 17.189 9.981 1.00 0.00 O ATOM 0 H ASP A 92 -6.163 14.697 9.386 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.692 15.519 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.797 16.862 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.012 17.656 7.830 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.877 15.135 8.497 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.438 14.948 8.349 1.00 0.00 C ATOM 1422 C GLN A 93 -0.952 13.774 9.194 1.00 0.00 C ATOM 1423 O GLN A 93 -0.477 13.941 10.318 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.692 16.222 8.749 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.219 16.861 10.025 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.531 16.332 11.269 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.693 16.204 11.307 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.315 16.023 12.294 1.00 0.00 N ATOM 0 H GLN A 93 -3.210 15.106 9.461 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.232 14.729 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.365 15.989 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.761 16.944 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.082 17.941 9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.291 16.679 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.325 16.145 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.908 15.663 13.157 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.074 12.558 8.642 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.653 11.333 9.328 1.00 0.00 C ATOM 1439 C PRO A 94 0.864 11.232 9.455 1.00 0.00 C ATOM 1440 O PRO A 94 1.596 12.089 8.962 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.189 10.219 8.425 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.286 10.840 7.075 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.631 12.285 7.308 1.00 0.00 C ATOM 0 HA PRO A 94 -1.028 11.289 10.351 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.520 9.359 8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.161 9.864 8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.345 10.746 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.050 10.348 6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.190 12.931 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.708 12.450 7.281 1.00 0.00 H new ATOM 1451 N ASP A 95 1.328 10.179 10.118 1.00 0.00 N ATOM 1452 CA ASP A 95 2.758 9.964 10.308 1.00 0.00 C ATOM 1453 C ASP A 95 3.362 9.235 9.112 1.00 0.00 C ATOM 1454 O ASP A 95 3.304 8.009 9.028 1.00 0.00 O ATOM 1455 CB ASP A 95 3.010 9.166 11.588 1.00 0.00 C ATOM 1456 CG ASP A 95 3.146 10.057 12.808 1.00 0.00 C ATOM 1457 OD1 ASP A 95 4.171 10.762 12.918 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.227 10.049 13.653 1.00 0.00 O ATOM 0 H ASP A 95 0.735 9.461 10.533 1.00 0.00 H new ATOM 0 HA ASP A 95 3.238 10.939 10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.190 8.465 11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.918 8.574 11.471 1.00 0.00 H new ATOM 1463 N GLU A 96 3.940 9.998 8.190 1.00 0.00 N ATOM 1464 CA GLU A 96 4.553 9.423 6.998 1.00 0.00 C ATOM 1465 C GLU A 96 5.496 8.283 7.367 1.00 0.00 C ATOM 1466 O GLU A 96 5.572 7.273 6.667 1.00 0.00 O ATOM 1467 CB GLU A 96 5.314 10.499 6.220 1.00 0.00 C ATOM 1468 CG GLU A 96 6.429 11.153 7.019 1.00 0.00 C ATOM 1469 CD GLU A 96 5.916 12.208 7.980 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.079 13.035 7.562 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.354 12.206 9.149 1.00 0.00 O ATOM 0 H GLU A 96 3.997 11.015 8.245 1.00 0.00 H new ATOM 0 HA GLU A 96 3.758 9.023 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.737 10.054 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.611 11.267 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.967 10.388 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.144 11.608 6.333 1.00 0.00 H new ATOM 1478 N LYS A 97 6.215 8.452 8.472 1.00 0.00 N ATOM 1479 CA LYS A 97 7.154 7.438 8.937 1.00 0.00 C ATOM 1480 C LYS A 97 6.415 6.197 9.431 1.00 0.00 C ATOM 1481 O LYS A 97 6.941 5.086 9.372 1.00 0.00 O ATOM 1482 CB LYS A 97 8.032 8.001 10.057 1.00 0.00 C ATOM 1483 CG LYS A 97 9.076 8.992 9.571 1.00 0.00 C ATOM 1484 CD LYS A 97 10.273 8.284 8.959 1.00 0.00 C ATOM 1485 CE LYS A 97 10.933 9.134 7.885 1.00 0.00 C ATOM 1486 NZ LYS A 97 12.301 8.648 7.555 1.00 0.00 N ATOM 0 H LYS A 97 6.165 9.282 9.062 1.00 0.00 H new ATOM 0 HA LYS A 97 7.787 7.152 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.396 8.489 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.534 7.176 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.630 9.659 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.406 9.613 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.999 8.053 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.955 7.334 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.318 9.125 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.987 10.169 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.717 9.254 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.896 8.681 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.247 7.669 7.208 1.00 0.00 H new ATOM 1500 N SER A 98 5.193 6.396 9.915 1.00 0.00 N ATOM 1501 CA SER A 98 4.384 5.293 10.420 1.00 0.00 C ATOM 1502 C SER A 98 3.723 4.535 9.273 1.00 0.00 C ATOM 1503 O SER A 98 3.245 3.414 9.451 1.00 0.00 O ATOM 1504 CB SER A 98 3.316 5.816 11.383 1.00 0.00 C ATOM 1505 OG SER A 98 3.826 5.919 12.702 1.00 0.00 O ATOM 0 H SER A 98 4.742 7.309 9.968 1.00 0.00 H new ATOM 0 HA SER A 98 5.041 4.607 10.955 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.966 6.792 11.048 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.455 5.148 11.374 1.00 0.00 H new ATOM 0 HG SER A 98 3.125 6.257 13.298 1.00 0.00 H new ATOM 1511 N ILE A 99 3.699 5.155 8.099 1.00 0.00 N ATOM 1512 CA ILE A 99 3.097 4.538 6.922 1.00 0.00 C ATOM 1513 C ILE A 99 4.157 3.888 6.040 1.00 0.00 C ATOM 1514 O ILE A 99 4.015 2.736 5.629 1.00 0.00 O ATOM 1515 CB ILE A 99 2.311 5.566 6.088 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.208 6.206 6.934 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.721 4.905 4.851 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.571 7.413 6.283 1.00 0.00 C ATOM 0 H ILE A 99 4.089 6.083 7.936 1.00 0.00 H new ATOM 0 HA ILE A 99 2.409 3.773 7.283 1.00 0.00 H new ATOM 0 HB ILE A 99 2.996 6.350 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.437 5.462 7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.625 6.500 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.168 5.645 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.524 4.493 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.047 4.103 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.202 7.815 6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.330 8.175 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.124 7.121 5.333 1.00 0.00 H new ATOM 1530 N ILE A 100 5.220 4.632 5.755 1.00 0.00 N ATOM 1531 CA ILE A 100 6.305 4.127 4.924 1.00 0.00 C ATOM 1532 C ILE A 100 6.724 2.726 5.358 1.00 0.00 C ATOM 1533 O ILE A 100 7.087 1.890 4.530 1.00 0.00 O ATOM 1534 CB ILE A 100 7.532 5.055 4.974 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.196 6.415 4.359 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.709 4.418 4.251 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.037 7.549 4.902 1.00 0.00 C ATOM 0 H ILE A 100 5.353 5.587 6.088 1.00 0.00 H new ATOM 0 HA ILE A 100 5.928 4.091 3.902 1.00 0.00 H new ATOM 0 HB ILE A 100 7.811 5.207 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.330 6.359 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.144 6.636 4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.569 5.087 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.961 3.471 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.442 4.239 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.744 8.482 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.885 7.632 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.089 7.351 4.699 1.00 0.00 H new ATOM 1549 N THR A 101 6.668 2.475 6.663 1.00 0.00 N ATOM 1550 CA THR A 101 7.040 1.176 7.208 1.00 0.00 C ATOM 1551 C THR A 101 6.004 0.115 6.856 1.00 0.00 C ATOM 1552 O THR A 101 6.351 -1.006 6.483 1.00 0.00 O ATOM 1553 CB THR A 101 7.200 1.234 8.738 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.015 2.354 9.104 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.824 -0.049 9.266 1.00 0.00 C ATOM 0 H THR A 101 6.368 3.155 7.362 1.00 0.00 H new ATOM 0 HA THR A 101 7.997 0.908 6.760 1.00 0.00 H new ATOM 0 HB THR A 101 6.210 1.346 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.458 3.158 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.927 0.015 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.186 -0.895 9.012 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.807 -0.188 8.816 1.00 0.00 H new ATOM 1563 N TYR A 102 4.731 0.476 6.975 1.00 0.00 N ATOM 1564 CA TYR A 102 3.644 -0.447 6.670 1.00 0.00 C ATOM 1565 C TYR A 102 3.613 -0.781 5.182 1.00 0.00 C ATOM 1566 O TYR A 102 3.713 -1.944 4.791 1.00 0.00 O ATOM 1567 CB TYR A 102 2.303 0.152 7.097 1.00 0.00 C ATOM 1568 CG TYR A 102 1.109 -0.670 6.672 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.632 -0.618 5.369 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.457 -1.501 7.575 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.460 -1.368 4.976 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.636 -2.256 7.191 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.090 -2.185 5.890 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.177 -2.934 5.503 1.00 0.00 O ATOM 0 H TYR A 102 4.427 1.400 7.280 1.00 0.00 H new ATOM 0 HA TYR A 102 3.817 -1.368 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.292 0.259 8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.212 1.154 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.123 0.020 4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.810 -1.558 8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.818 -1.314 3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.131 -2.897 7.905 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.000 -2.493 5.800 1.00 0.00 H new ATOM 1584 N VAL A 103 3.473 0.251 4.354 1.00 0.00 N ATOM 1585 CA VAL A 103 3.430 0.070 2.908 1.00 0.00 C ATOM 1586 C VAL A 103 4.637 -0.722 2.416 1.00 0.00 C ATOM 1587 O VAL A 103 4.560 -1.431 1.414 1.00 0.00 O ATOM 1588 CB VAL A 103 3.384 1.423 2.174 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.641 2.230 2.464 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.210 1.212 0.678 1.00 0.00 C ATOM 0 H VAL A 103 3.388 1.220 4.661 1.00 0.00 H new ATOM 0 HA VAL A 103 2.519 -0.487 2.686 1.00 0.00 H new ATOM 0 HB VAL A 103 2.526 1.987 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.591 3.183 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.718 2.412 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.516 1.674 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.180 2.179 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.047 0.629 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.279 0.677 0.492 1.00 0.00 H new ATOM 1600 N ALA A 104 5.750 -0.597 3.131 1.00 0.00 N ATOM 1601 CA ALA A 104 6.972 -1.303 2.770 1.00 0.00 C ATOM 1602 C ALA A 104 6.754 -2.812 2.766 1.00 0.00 C ATOM 1603 O ALA A 104 7.398 -3.541 2.010 1.00 0.00 O ATOM 1604 CB ALA A 104 8.097 -0.933 3.725 1.00 0.00 C ATOM 0 H ALA A 104 5.830 -0.013 3.964 1.00 0.00 H new ATOM 0 HA ALA A 104 7.252 -1.000 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.004 -1.468 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.278 0.141 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.816 -1.206 4.742 1.00 0.00 H new ATOM 1610 N THR A 105 5.843 -3.276 3.615 1.00 0.00 N ATOM 1611 CA THR A 105 5.541 -4.699 3.710 1.00 0.00 C ATOM 1612 C THR A 105 4.914 -5.216 2.420 1.00 0.00 C ATOM 1613 O THR A 105 5.033 -6.395 2.089 1.00 0.00 O ATOM 1614 CB THR A 105 4.589 -4.993 4.884 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.249 -4.631 4.532 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.015 -4.232 6.131 1.00 0.00 C ATOM 0 H THR A 105 5.301 -2.687 4.247 1.00 0.00 H new ATOM 0 HA THR A 105 6.487 -5.212 3.881 1.00 0.00 H new ATOM 0 HB THR A 105 4.632 -6.061 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.161 -3.655 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.327 -4.456 6.947 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.024 -4.533 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.000 -3.161 5.927 1.00 0.00 H new ATOM 1624 N TYR A 106 4.245 -4.325 1.695 1.00 0.00 N ATOM 1625 CA TYR A 106 3.597 -4.692 0.442 1.00 0.00 C ATOM 1626 C TYR A 106 4.631 -5.007 -0.634 1.00 0.00 C ATOM 1627 O TYR A 106 4.481 -5.963 -1.396 1.00 0.00 O ATOM 1628 CB TYR A 106 2.679 -3.564 -0.032 1.00 0.00 C ATOM 1629 CG TYR A 106 1.311 -3.585 0.612 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.147 -4.007 1.926 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.183 -3.186 -0.094 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.101 -4.029 2.518 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.068 -3.204 0.491 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.205 -3.626 1.797 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.451 -3.647 2.383 1.00 0.00 O ATOM 0 H TYR A 106 4.138 -3.344 1.954 1.00 0.00 H new ATOM 0 HA TYR A 106 3.000 -5.586 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.156 -2.607 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.563 -3.632 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.010 -4.323 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.286 -2.856 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.211 -4.360 3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.935 -2.889 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.370 -3.415 3.332 1.00 0.00 H new ATOM 1645 N TYR A 107 5.682 -4.197 -0.690 1.00 0.00 N ATOM 1646 CA TYR A 107 6.741 -4.385 -1.674 1.00 0.00 C ATOM 1647 C TYR A 107 7.621 -5.576 -1.305 1.00 0.00 C ATOM 1648 O TYR A 107 7.775 -6.516 -2.086 1.00 0.00 O ATOM 1649 CB TYR A 107 7.596 -3.122 -1.785 1.00 0.00 C ATOM 1650 CG TYR A 107 8.881 -3.324 -2.555 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.869 -3.480 -3.935 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.107 -3.358 -1.903 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.041 -3.666 -4.643 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.284 -3.542 -2.603 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.246 -3.696 -3.973 1.00 0.00 C ATOM 1656 OH TYR A 107 12.415 -3.879 -4.674 1.00 0.00 O ATOM 0 H TYR A 107 5.823 -3.403 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 107 6.274 -4.584 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.012 -2.340 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.835 -2.767 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.928 -3.456 -4.464 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.141 -3.239 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.013 -3.787 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.229 -3.565 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 107 13.173 -3.874 -4.053 1.00 0.00 H new ATOM 1666 N HIS A 108 8.197 -5.529 -0.107 1.00 0.00 N ATOM 1667 CA HIS A 108 9.060 -6.604 0.368 1.00 0.00 C ATOM 1668 C HIS A 108 8.381 -7.961 0.202 1.00 0.00 C ATOM 1669 O HIS A 108 8.999 -8.924 -0.251 1.00 0.00 O ATOM 1670 CB HIS A 108 9.428 -6.380 1.835 1.00 0.00 C ATOM 1671 CG HIS A 108 10.386 -5.249 2.047 1.00 0.00 C ATOM 1672 ND1 HIS A 108 10.290 -3.937 1.727 1.00 0.00 N flip ATOM 1673 CD2 HIS A 108 11.613 -5.405 2.655 1.00 0.00 C flip ATOM 1674 CE1 HIS A 108 11.450 -3.331 2.143 1.00 0.00 C flip ATOM 1675 NE2 HIS A 108 12.231 -4.238 2.701 1.00 0.00 N flip ATOM 0 H HIS A 108 8.081 -4.759 0.551 1.00 0.00 H new ATOM 0 HA HIS A 108 9.970 -6.598 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.518 -6.186 2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.865 -7.295 2.235 1.00 0.00 H new ATOM 0 HD1 HIS A 108 9.503 -3.483 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.008 -6.336 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.685 -2.283 2.032 1.00 0.00 H new ATOM 1684 N TYR A 109 7.108 -8.028 0.574 1.00 0.00 N ATOM 1685 CA TYR A 109 6.346 -9.267 0.470 1.00 0.00 C ATOM 1686 C TYR A 109 6.295 -9.755 -0.974 1.00 0.00 C ATOM 1687 O TYR A 109 6.922 -10.756 -1.326 1.00 0.00 O ATOM 1688 CB TYR A 109 4.926 -9.064 1.002 1.00 0.00 C ATOM 1689 CG TYR A 109 3.952 -10.127 0.548 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.819 -11.320 1.249 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.162 -9.939 -0.580 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.931 -12.294 0.837 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.271 -10.907 -0.997 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.158 -12.083 -0.285 1.00 0.00 C ATOM 1695 OH TYR A 109 1.271 -13.052 -0.697 1.00 0.00 O ATOM 0 H TYR A 109 6.582 -7.239 0.950 1.00 0.00 H new ATOM 0 HA TYR A 109 6.848 -10.024 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.954 -9.050 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.562 -8.088 0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.420 -11.488 2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.247 -9.019 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.842 -13.217 1.391 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.665 -10.745 -1.876 1.00 0.00 H new ATOM 0 HH TYR A 109 0.803 -12.746 -1.502 1.00 0.00 H new ATOM 1705 N PHE A 110 5.545 -9.042 -1.807 1.00 0.00 N ATOM 1706 CA PHE A 110 5.410 -9.401 -3.214 1.00 0.00 C ATOM 1707 C PHE A 110 6.771 -9.725 -3.824 1.00 0.00 C ATOM 1708 O PHE A 110 6.891 -10.622 -4.659 1.00 0.00 O ATOM 1709 CB PHE A 110 4.748 -8.263 -3.993 1.00 0.00 C ATOM 1710 CG PHE A 110 3.251 -8.364 -4.042 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.634 -9.366 -4.773 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.459 -7.455 -3.358 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.256 -9.460 -4.822 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.080 -7.545 -3.402 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.478 -8.549 -4.134 1.00 0.00 C ATOM 0 H PHE A 110 5.021 -8.211 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 110 4.781 -10.289 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.026 -7.312 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.137 -8.255 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.237 -10.082 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.924 -6.667 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.788 -10.245 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.474 -6.831 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.599 -8.622 -4.169 1.00 0.00 H new ATOM 1725 N SER A 111 7.793 -8.988 -3.403 1.00 0.00 N ATOM 1726 CA SER A 111 9.145 -9.193 -3.910 1.00 0.00 C ATOM 1727 C SER A 111 9.634 -10.604 -3.599 1.00 0.00 C ATOM 1728 O SER A 111 10.164 -11.296 -4.468 1.00 0.00 O ATOM 1729 CB SER A 111 10.101 -8.163 -3.304 1.00 0.00 C ATOM 1730 OG SER A 111 10.623 -8.619 -2.068 1.00 0.00 O ATOM 0 H SER A 111 7.711 -8.243 -2.711 1.00 0.00 H new ATOM 0 HA SER A 111 9.124 -9.066 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.918 -7.968 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.577 -7.219 -3.155 1.00 0.00 H new ATOM 0 HG SER A 111 9.887 -8.781 -1.442 1.00 0.00 H new ATOM 1736 N LYS A 112 9.453 -11.024 -2.351 1.00 0.00 N ATOM 1737 CA LYS A 112 9.874 -12.353 -1.922 1.00 0.00 C ATOM 1738 C LYS A 112 9.436 -13.413 -2.927 1.00 0.00 C ATOM 1739 O LYS A 112 10.197 -14.325 -3.251 1.00 0.00 O ATOM 1740 CB LYS A 112 9.294 -12.672 -0.542 1.00 0.00 C ATOM 1741 CG LYS A 112 9.865 -11.813 0.572 1.00 0.00 C ATOM 1742 CD LYS A 112 9.865 -12.549 1.901 1.00 0.00 C ATOM 1743 CE LYS A 112 10.265 -11.633 3.046 1.00 0.00 C ATOM 1744 NZ LYS A 112 11.735 -11.394 3.078 1.00 0.00 N ATOM 0 H LYS A 112 9.017 -10.463 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 112 10.962 -12.362 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.212 -12.540 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.481 -13.721 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.883 -11.518 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.281 -10.897 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.873 -12.959 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.554 -13.392 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.744 -10.680 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.948 -12.074 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.967 -10.765 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.232 -12.300 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.034 -10.950 2.186 1.00 0.00 H new ATOM 1758 N MET A 113 8.208 -13.285 -3.418 1.00 0.00 N ATOM 1759 CA MET A 113 7.672 -14.233 -4.389 1.00 0.00 C ATOM 1760 C MET A 113 8.456 -14.174 -5.695 1.00 0.00 C ATOM 1761 O MET A 113 9.281 -13.284 -5.897 1.00 0.00 O ATOM 1762 CB MET A 113 6.193 -13.941 -4.654 1.00 0.00 C ATOM 1763 CG MET A 113 5.267 -14.452 -3.563 1.00 0.00 C ATOM 1764 SD MET A 113 4.912 -16.213 -3.721 1.00 0.00 S ATOM 1765 CE MET A 113 3.726 -16.439 -2.397 1.00 0.00 C ATOM 0 H MET A 113 7.566 -12.536 -3.160 1.00 0.00 H new ATOM 0 HA MET A 113 7.768 -15.236 -3.973 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.057 -12.865 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 113 5.906 -14.393 -5.603 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.720 -14.263 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.332 -13.893 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.410 -17.482 -2.366 1.00 0.00 H new ATOM 0 HE2 MET A 113 4.187 -16.171 -1.446 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.859 -15.802 -2.573 1.00 0.00 H new ATOM 1775 N LYS A 114 8.193 -15.129 -6.581 1.00 0.00 N ATOM 1776 CA LYS A 114 8.873 -15.187 -7.870 1.00 0.00 C ATOM 1777 C LYS A 114 10.385 -15.093 -7.691 1.00 0.00 C ATOM 1778 O LYS A 114 11.057 -14.343 -8.399 1.00 0.00 O ATOM 1779 CB LYS A 114 8.384 -14.056 -8.779 1.00 0.00 C ATOM 1780 CG LYS A 114 6.887 -14.082 -9.029 1.00 0.00 C ATOM 1781 CD LYS A 114 6.496 -15.220 -9.957 1.00 0.00 C ATOM 1782 CE LYS A 114 6.572 -14.801 -11.416 1.00 0.00 C ATOM 1783 NZ LYS A 114 6.813 -15.963 -12.315 1.00 0.00 N ATOM 0 H LYS A 114 7.513 -15.874 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 114 8.639 -16.145 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.653 -13.099 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.905 -14.118 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.361 -14.188 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.573 -13.133 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.155 -16.072 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.483 -15.549 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.643 -14.308 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.372 -14.071 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.858 -15.636 -13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.712 -16.419 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.037 -16.648 -12.213 1.00 0.00 H new ATOM 1797 N ALA A 115 10.914 -15.858 -6.743 1.00 0.00 N ATOM 1798 CA ALA A 115 12.346 -15.864 -6.474 1.00 0.00 C ATOM 1799 C ALA A 115 12.816 -17.244 -6.026 1.00 0.00 C ATOM 1800 O ALA A 115 12.019 -18.176 -5.913 1.00 0.00 O ATOM 1801 CB ALA A 115 12.689 -14.820 -5.422 1.00 0.00 C ATOM 0 H ALA A 115 10.371 -16.483 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 115 12.865 -15.616 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 115 13.762 -14.835 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 115 12.398 -13.833 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 115 12.153 -15.043 -4.500 1.00 0.00 H new ATOM 1807 N LEU A 116 14.114 -17.368 -5.773 1.00 0.00 N ATOM 1808 CA LEU A 116 14.691 -18.635 -5.338 1.00 0.00 C ATOM 1809 C LEU A 116 14.547 -18.809 -3.829 1.00 0.00 C ATOM 1810 O LEU A 116 14.788 -17.878 -3.062 1.00 0.00 O ATOM 1811 CB LEU A 116 16.167 -18.708 -5.733 1.00 0.00 C ATOM 1812 CG LEU A 116 17.049 -17.555 -5.254 1.00 0.00 C ATOM 1813 CD1 LEU A 116 18.475 -18.031 -5.031 1.00 0.00 C ATOM 1814 CD2 LEU A 116 17.017 -16.408 -6.254 1.00 0.00 C ATOM 0 H LEU A 116 14.787 -16.607 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 116 14.149 -19.442 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.580 -19.640 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.229 -18.759 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 116 16.656 -17.193 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 116 19.088 -17.197 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 116 18.482 -18.818 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 116 18.879 -18.420 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.650 -15.596 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.384 -16.757 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.994 -16.049 -6.363 1.00 0.00 H new ATOM 1826 N ALA A 117 14.156 -20.009 -3.412 1.00 0.00 N ATOM 1827 CA ALA A 117 13.985 -20.306 -1.995 1.00 0.00 C ATOM 1828 C ALA A 117 14.927 -21.419 -1.551 1.00 0.00 C ATOM 1829 O ALA A 117 15.551 -22.086 -2.377 1.00 0.00 O ATOM 1830 CB ALA A 117 12.541 -20.687 -1.707 1.00 0.00 C ATOM 0 H ALA A 117 13.952 -20.791 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 117 14.232 -19.409 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.427 -20.906 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.885 -19.860 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.274 -21.568 -2.290 1.00 0.00 H new ATOM 1836 N VAL A 118 15.026 -21.616 -0.240 1.00 0.00 N ATOM 1837 CA VAL A 118 15.892 -22.650 0.315 1.00 0.00 C ATOM 1838 C VAL A 118 15.368 -23.142 1.660 1.00 0.00 C ATOM 1839 O VAL A 118 14.833 -22.365 2.449 1.00 0.00 O ATOM 1840 CB VAL A 118 17.333 -22.138 0.494 1.00 0.00 C ATOM 1841 CG1 VAL A 118 18.220 -23.230 1.073 1.00 0.00 C ATOM 1842 CG2 VAL A 118 17.889 -21.637 -0.831 1.00 0.00 C ATOM 0 H VAL A 118 14.517 -21.073 0.458 1.00 0.00 H new ATOM 0 HA VAL A 118 15.894 -23.477 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 118 17.319 -21.304 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 118 19.234 -22.850 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.831 -23.538 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.231 -24.086 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 118 18.908 -21.279 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.890 -22.451 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 118 17.267 -20.822 -1.202 1.00 0.00 H new ATOM 1852 N GLU A 119 15.529 -24.437 1.913 1.00 0.00 N ATOM 1853 CA GLU A 119 15.072 -25.033 3.163 1.00 0.00 C ATOM 1854 C GLU A 119 16.150 -24.938 4.237 1.00 0.00 C ATOM 1855 O GLU A 119 17.330 -24.756 3.934 1.00 0.00 O ATOM 1856 CB GLU A 119 14.681 -26.496 2.944 1.00 0.00 C ATOM 1857 CG GLU A 119 13.239 -26.681 2.503 1.00 0.00 C ATOM 1858 CD GLU A 119 12.987 -26.166 1.100 1.00 0.00 C ATOM 1859 OE1 GLU A 119 13.400 -26.843 0.134 1.00 0.00 O ATOM 1860 OE2 GLU A 119 12.376 -25.084 0.965 1.00 0.00 O ATOM 0 H GLU A 119 15.972 -25.093 1.270 1.00 0.00 H new ATOM 0 HA GLU A 119 14.197 -24.478 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.340 -26.931 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.843 -27.049 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.982 -27.739 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.581 -26.162 3.200 1.00 0.00 H new ATOM 1867 N GLY A 120 15.738 -25.063 5.496 1.00 0.00 N ATOM 1868 CA GLY A 120 16.681 -24.989 6.596 1.00 0.00 C ATOM 1869 C GLY A 120 15.994 -24.961 7.947 1.00 0.00 C ATOM 1870 O GLY A 120 14.875 -24.460 8.073 1.00 0.00 O ATOM 0 H GLY A 120 14.768 -25.214 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.354 -25.845 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 120 17.295 -24.095 6.485 1.00 0.00 H new ATOM 1874 N LYS A 121 16.663 -25.499 8.961 1.00 0.00 N ATOM 1875 CA LYS A 121 16.111 -25.534 10.309 1.00 0.00 C ATOM 1876 C LYS A 121 17.223 -25.505 11.354 1.00 0.00 C ATOM 1877 O LYS A 121 17.932 -26.492 11.546 1.00 0.00 O ATOM 1878 CB LYS A 121 15.252 -26.786 10.498 1.00 0.00 C ATOM 1879 CG LYS A 121 14.144 -26.616 11.524 1.00 0.00 C ATOM 1880 CD LYS A 121 13.383 -27.912 11.744 1.00 0.00 C ATOM 1881 CE LYS A 121 12.308 -28.114 10.686 1.00 0.00 C ATOM 1882 NZ LYS A 121 11.155 -28.897 11.209 1.00 0.00 N ATOM 0 H LYS A 121 17.589 -25.917 8.874 1.00 0.00 H new ATOM 0 HA LYS A 121 15.488 -24.650 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.810 -27.061 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.893 -27.613 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.571 -26.279 12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.454 -25.840 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.078 -28.751 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.925 -27.903 12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.958 -27.144 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.737 -28.629 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.445 -29.013 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.484 -29.833 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.730 -28.393 12.013 1.00 0.00 H new ATOM 1896 N SER A 122 17.369 -24.368 12.025 1.00 0.00 N ATOM 1897 CA SER A 122 18.396 -24.210 13.048 1.00 0.00 C ATOM 1898 C SER A 122 18.523 -25.476 13.890 1.00 0.00 C ATOM 1899 O SER A 122 19.603 -26.053 14.003 1.00 0.00 O ATOM 1900 CB SER A 122 18.071 -23.016 13.948 1.00 0.00 C ATOM 1901 OG SER A 122 18.133 -21.800 13.224 1.00 0.00 O ATOM 0 H SER A 122 16.789 -23.542 11.879 1.00 0.00 H new ATOM 0 HA SER A 122 19.347 -24.030 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.075 -23.139 14.375 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.773 -22.983 14.781 1.00 0.00 H new ATOM 0 HG SER A 122 17.920 -21.053 13.821 1.00 0.00 H new ATOM 1907 N GLY A 123 17.409 -25.902 14.479 1.00 0.00 N ATOM 1908 CA GLY A 123 17.417 -27.096 15.302 1.00 0.00 C ATOM 1909 C GLY A 123 16.223 -27.166 16.234 1.00 0.00 C ATOM 1910 O GLY A 123 15.296 -26.361 16.150 1.00 0.00 O ATOM 0 H GLY A 123 16.502 -25.441 14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.424 -27.976 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.335 -27.122 15.890 1.00 0.00 H new ATOM 1914 N PRO A 124 16.235 -28.149 17.146 1.00 0.00 N ATOM 1915 CA PRO A 124 15.152 -28.345 18.114 1.00 0.00 C ATOM 1916 C PRO A 124 15.105 -27.240 19.163 1.00 0.00 C ATOM 1917 O PRO A 124 15.770 -26.213 19.027 1.00 0.00 O ATOM 1918 CB PRO A 124 15.496 -29.687 18.766 1.00 0.00 C ATOM 1919 CG PRO A 124 16.972 -29.817 18.606 1.00 0.00 C ATOM 1920 CD PRO A 124 17.308 -29.146 17.304 1.00 0.00 C ATOM 0 HA PRO A 124 14.172 -28.326 17.637 1.00 0.00 H new ATOM 0 HB2 PRO A 124 15.209 -29.702 19.817 1.00 0.00 H new ATOM 0 HB3 PRO A 124 14.971 -30.510 18.280 1.00 0.00 H new ATOM 0 HG2 PRO A 124 17.498 -29.344 19.436 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.272 -30.865 18.594 1.00 0.00 H new ATOM 0 HD2 PRO A 124 18.291 -28.676 17.336 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.321 -29.857 16.478 1.00 0.00 H new ATOM 1928 N SER A 125 14.315 -27.456 20.209 1.00 0.00 N ATOM 1929 CA SER A 125 14.179 -26.477 21.280 1.00 0.00 C ATOM 1930 C SER A 125 13.500 -27.094 22.500 1.00 0.00 C ATOM 1931 O SER A 125 12.884 -28.157 22.409 1.00 0.00 O ATOM 1932 CB SER A 125 13.378 -25.266 20.795 1.00 0.00 C ATOM 1933 OG SER A 125 14.199 -24.370 20.067 1.00 0.00 O ATOM 0 H SER A 125 13.759 -28.301 20.338 1.00 0.00 H new ATOM 0 HA SER A 125 15.178 -26.152 21.568 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.552 -25.600 20.167 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.940 -24.750 21.649 1.00 0.00 H new ATOM 0 HG SER A 125 15.037 -24.817 19.824 1.00 0.00 H new ATOM 1939 N SER A 126 13.616 -26.420 23.639 1.00 0.00 N ATOM 1940 CA SER A 126 13.018 -26.904 24.877 1.00 0.00 C ATOM 1941 C SER A 126 12.840 -25.764 25.876 1.00 0.00 C ATOM 1942 O SER A 126 13.356 -24.665 25.679 1.00 0.00 O ATOM 1943 CB SER A 126 13.883 -28.005 25.492 1.00 0.00 C ATOM 1944 OG SER A 126 15.152 -27.504 25.872 1.00 0.00 O ATOM 0 H SER A 126 14.119 -25.537 23.730 1.00 0.00 H new ATOM 0 HA SER A 126 12.036 -27.314 24.640 1.00 0.00 H new ATOM 0 HB2 SER A 126 13.379 -28.424 26.363 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.009 -28.816 24.775 1.00 0.00 H new ATOM 0 HG SER A 126 15.685 -28.227 26.264 1.00 0.00 H new ATOM 1950 N GLY A 127 12.107 -26.037 26.952 1.00 0.00 N ATOM 1951 CA GLY A 127 11.874 -25.025 27.966 1.00 0.00 C ATOM 1952 C GLY A 127 12.069 -25.558 29.372 1.00 0.00 C ATOM 1953 O GLY A 127 11.407 -26.513 29.777 1.00 0.00 O ATOM 0 H GLY A 127 11.671 -26.940 27.139 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.551 -24.187 27.801 1.00 0.00 H new ATOM 0 HA3 GLY A 127 10.859 -24.640 27.864 1.00 0.00 H new TER 1957 GLY A 127