USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 171:sc= -7.91! (180deg=-9.83!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 93 TYR OH : rot 96:sc= -8.4! USER MOD Set 1.4: A 94 HIS : no HD1:sc= -32.6! C(o=-49!,f=-45!) USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 LYS NZ :NH3+ -171:sc= -0.0698! (180deg=-0.0956!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 167:sc= -6.88! (180deg=-5.14!) USER MOD Set 3.2: A 64 TYR OH : rot -107:sc= -6.32! USER MOD Set 4.1: A 51 THR OG1 : rot 112:sc= 0.561 USER MOD Set 4.2: A 60 CYS SG : rot -24:sc= -5.38! USER MOD Set 5.1: A 39 SER OG : rot -156:sc= 0.769 USER MOD Set 5.2: A 41 THR OG1 : rot -150:sc= -3.02! USER MOD Set 5.3: A 46 THR OG1 : rot -150:sc= -2.59 USER MOD Set 5.4: A 65 HIS : no HE2:sc= -23! C(o=-28!,f=-39!) USER MOD Set 6.1: A 13 ASN : amide:sc= -15.6! C(o=-48!,f=-38!) USER MOD Set 6.2: A 35 MET CE :methyl -166:sc= -31.9! (180deg=-30.1!) USER MOD Set 7.1: A 4 ASN : amide:sc= -1.23! K(o=-3.4!,f=-1.5) USER MOD Set 7.2: A 86 SER OG : rot -145:sc= -2.13! USER MOD Single : A 5 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.52) USER MOD Single : A 8 THR OG1 : rot -66:sc= 1.05 USER MOD Single : A 9 TYR OH : rot 165:sc= -1.85! USER MOD Single : A 12 TYR OH : rot 130:sc= -0.914 USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -3.47! (180deg=-7.7!) USER MOD Single : A 15 SER OG : rot -72:sc= 1.09 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.935 (180deg=-1.91!) USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= -1.92! (180deg=-2.96!) USER MOD Single : A 28 THR OG1 : rot -61:sc= -2.8! USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -16.2! (180deg=-20.7!) USER MOD Single : A 44 THR OG1 : rot -157:sc= -2.25! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc= -3.35! USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= -1.54! (180deg=-1.65!) USER MOD Single : A 56 SER OG : rot -45:sc= 0.16 USER MOD Single : A 58 ASN : amide:sc= -4.63! C(o=-4.6!,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -0.378 (180deg=-3.53!) USER MOD Single : A 69 THR OG1 : rot -54:sc= 0.889 USER MOD Single : A 70 ASN : amide:sc=-0.00911 X(o=-0.0091,f=-0.0091) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= -0.538 USER MOD Single : A 92 GLN : amide:sc= -7.67! C(o=-7.7!,f=-3.1!) USER MOD Single : A 95 GLN : amide:sc= -41.1! C(o=-41!,f=-33!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 16:sc= -7.35! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.47 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.882 8.830 7.587 1.00 0.00 C HETATM 2 O ACE A 3 -12.137 8.555 8.528 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.838 9.994 7.673 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.612 10.709 6.882 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.860 9.635 7.556 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.733 10.480 8.643 1.00 0.00 H new ATOM 7 N ASN A 4 -12.901 8.137 6.452 1.00 0.00 N ATOM 8 CA ASN A 4 -12.027 6.989 6.243 1.00 0.00 C ATOM 9 C ASN A 4 -10.581 7.433 6.052 1.00 0.00 C ATOM 10 O ASN A 4 -9.681 6.606 5.904 1.00 0.00 O ATOM 11 CB ASN A 4 -12.490 6.184 5.028 1.00 0.00 C ATOM 12 CG ASN A 4 -13.617 5.226 5.364 1.00 0.00 C ATOM 13 OD1 ASN A 4 -14.572 5.081 4.601 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.512 4.568 6.512 1.00 0.00 N ATOM 0 H ASN A 4 -13.512 8.351 5.664 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.080 6.358 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.820 6.868 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.647 5.622 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.241 3.911 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.703 4.719 7.114 1.00 0.00 H new ATOM 21 N ASN A 5 -10.364 8.745 6.056 1.00 0.00 N ATOM 22 CA ASN A 5 -9.027 9.299 5.884 1.00 0.00 C ATOM 23 C ASN A 5 -7.988 8.449 6.608 1.00 0.00 C ATOM 24 O ASN A 5 -8.232 7.959 7.711 1.00 0.00 O ATOM 25 CB ASN A 5 -8.977 10.737 6.403 1.00 0.00 C ATOM 26 CG ASN A 5 -10.348 11.382 6.452 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.793 11.995 5.482 1.00 0.00 O ATOM 28 ND2 ASN A 5 -11.026 11.247 7.586 1.00 0.00 N ATOM 0 H ASN A 5 -11.098 9.443 6.177 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.795 9.296 4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.539 10.745 7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.323 11.329 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.954 11.660 7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.619 10.730 8.365 1.00 0.00 H new ATOM 35 N LEU A 6 -6.829 8.277 5.981 1.00 0.00 N ATOM 36 CA LEU A 6 -5.752 7.486 6.564 1.00 0.00 C ATOM 37 C LEU A 6 -4.694 8.384 7.193 1.00 0.00 C ATOM 38 O LEU A 6 -4.719 8.642 8.397 1.00 0.00 O ATOM 39 CB LEU A 6 -5.111 6.590 5.503 1.00 0.00 C ATOM 40 CG LEU A 6 -5.883 6.480 4.187 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.987 5.920 3.095 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.116 5.608 4.361 1.00 0.00 C ATOM 0 H LEU A 6 -6.612 8.676 5.068 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.182 6.859 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.111 6.967 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.991 5.590 5.920 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.208 7.478 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.550 5.847 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.132 6.581 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.636 4.930 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.652 5.542 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.814 4.610 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.768 6.046 5.117 1.00 0.00 H new ATOM 54 N GLU A 7 -3.767 8.853 6.371 1.00 0.00 N ATOM 55 CA GLU A 7 -2.693 9.719 6.837 1.00 0.00 C ATOM 56 C GLU A 7 -2.365 9.456 8.300 1.00 0.00 C ATOM 57 O GLU A 7 -1.965 10.363 9.030 1.00 0.00 O ATOM 58 CB GLU A 7 -3.065 11.190 6.637 1.00 0.00 C ATOM 59 CG GLU A 7 -4.561 11.429 6.526 1.00 0.00 C ATOM 60 CD GLU A 7 -4.922 12.346 5.373 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.311 13.430 5.265 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.812 11.979 4.578 1.00 0.00 O ATOM 0 H GLU A 7 -3.737 8.647 5.372 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.806 9.494 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.673 11.772 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.578 11.560 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.069 10.473 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.926 11.862 7.457 1.00 0.00 H new ATOM 69 N THR A 8 -2.540 8.212 8.722 1.00 0.00 N ATOM 70 CA THR A 8 -2.269 7.829 10.089 1.00 0.00 C ATOM 71 C THR A 8 -1.699 6.416 10.153 1.00 0.00 C ATOM 72 O THR A 8 -1.556 5.843 11.233 1.00 0.00 O ATOM 73 CB THR A 8 -3.556 7.911 10.895 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.578 7.139 10.288 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.073 9.323 11.045 1.00 0.00 C ATOM 0 H THR A 8 -2.871 7.451 8.129 1.00 0.00 H new ATOM 0 HA THR A 8 -1.529 8.510 10.508 1.00 0.00 H new ATOM 0 HB THR A 8 -3.306 7.525 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.820 7.537 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.993 9.313 11.630 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.326 9.932 11.554 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.274 9.744 10.060 1.00 0.00 H new ATOM 83 N TYR A 9 -1.385 5.855 8.988 1.00 0.00 N ATOM 84 CA TYR A 9 -0.846 4.505 8.917 1.00 0.00 C ATOM 85 C TYR A 9 0.627 4.499 8.566 1.00 0.00 C ATOM 86 O TYR A 9 1.069 5.202 7.658 1.00 0.00 O ATOM 87 CB TYR A 9 -1.615 3.692 7.887 1.00 0.00 C ATOM 88 CG TYR A 9 -3.089 3.691 8.175 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.623 2.806 9.096 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.943 4.593 7.550 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.968 2.811 9.389 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.293 4.600 7.837 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.801 3.708 8.756 1.00 0.00 C ATOM 94 OH TYR A 9 -7.146 3.716 9.047 1.00 0.00 O ATOM 0 H TYR A 9 -1.495 6.315 8.084 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.957 4.058 9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.438 4.102 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.244 2.667 7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.974 2.100 9.593 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.546 5.296 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.369 2.115 10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.949 5.302 7.343 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.549 4.544 8.711 1.00 0.00 H new ATOM 104 N GLU A 10 1.379 3.672 9.273 1.00 0.00 N ATOM 105 CA GLU A 10 2.799 3.540 9.018 1.00 0.00 C ATOM 106 C GLU A 10 3.022 3.322 7.538 1.00 0.00 C ATOM 107 O GLU A 10 4.135 3.450 7.044 1.00 0.00 O ATOM 108 CB GLU A 10 3.366 2.355 9.782 1.00 0.00 C ATOM 109 CG GLU A 10 2.294 1.385 10.201 1.00 0.00 C ATOM 110 CD GLU A 10 2.837 0.204 10.982 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.074 0.039 11.026 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.024 -0.556 11.549 1.00 0.00 O ATOM 0 H GLU A 10 1.027 3.083 10.028 1.00 0.00 H new ATOM 0 HA GLU A 10 3.301 4.450 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.097 1.839 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.895 2.713 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.556 1.908 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.775 1.020 9.315 1.00 0.00 H new ATOM 119 N TRP A 11 1.953 2.954 6.839 1.00 0.00 N ATOM 120 CA TRP A 11 2.036 2.682 5.421 1.00 0.00 C ATOM 121 C TRP A 11 1.595 3.867 4.569 1.00 0.00 C ATOM 122 O TRP A 11 2.139 4.094 3.491 1.00 0.00 O ATOM 123 CB TRP A 11 1.174 1.473 5.091 1.00 0.00 C ATOM 124 CG TRP A 11 -0.140 1.424 5.830 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.426 0.748 6.989 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.363 2.047 5.429 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.753 0.909 7.315 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.346 1.706 6.373 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.717 2.861 4.359 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.662 2.150 6.271 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.020 3.305 4.257 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.981 2.947 5.208 1.00 0.00 C ATOM 0 H TRP A 11 1.021 2.839 7.238 1.00 0.00 H new ATOM 0 HA TRP A 11 3.082 2.487 5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.975 1.466 4.019 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.738 0.568 5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.287 0.173 7.562 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.219 0.501 8.126 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.983 3.142 3.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.404 1.874 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.302 3.939 3.429 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.994 3.307 5.100 1.00 0.00 H new ATOM 143 N TYR A 12 0.592 4.601 5.028 1.00 0.00 N ATOM 144 CA TYR A 12 0.078 5.730 4.263 1.00 0.00 C ATOM 145 C TYR A 12 1.059 6.886 4.152 1.00 0.00 C ATOM 146 O TYR A 12 1.770 7.223 5.099 1.00 0.00 O ATOM 147 CB TYR A 12 -1.217 6.258 4.854 1.00 0.00 C ATOM 148 CG TYR A 12 -1.773 7.379 4.019 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.577 7.108 2.927 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.466 8.702 4.300 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.070 8.122 2.139 1.00 0.00 C ATOM 152 CE2 TYR A 12 -1.954 9.729 3.516 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.758 9.434 2.435 1.00 0.00 C ATOM 154 OH TYR A 12 -3.248 10.450 1.647 1.00 0.00 O ATOM 0 H TYR A 12 0.121 4.438 5.918 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.095 5.333 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.947 5.451 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.040 6.610 5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.822 6.083 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.835 8.933 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.699 7.893 1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.708 10.755 3.748 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.662 11.133 2.214 1.00 0.00 H new ATOM 164 N ASN A 13 1.046 7.507 2.978 1.00 0.00 N ATOM 165 CA ASN A 13 1.881 8.661 2.695 1.00 0.00 C ATOM 166 C ASN A 13 1.083 9.694 1.901 1.00 0.00 C ATOM 167 O ASN A 13 0.960 9.597 0.682 1.00 0.00 O ATOM 168 CB ASN A 13 3.124 8.246 1.916 1.00 0.00 C ATOM 169 CG ASN A 13 4.368 8.952 2.417 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.362 10.162 2.645 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.441 8.197 2.589 1.00 0.00 N ATOM 0 H ASN A 13 0.455 7.222 2.197 1.00 0.00 H new ATOM 0 HA ASN A 13 2.200 9.102 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.261 7.168 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.981 8.469 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.310 8.614 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.399 7.198 2.387 1.00 0.00 H new ATOM 178 N LYS A 14 0.532 10.670 2.616 1.00 0.00 N ATOM 179 CA LYS A 14 -0.278 11.727 2.013 1.00 0.00 C ATOM 180 C LYS A 14 -0.175 11.744 0.488 1.00 0.00 C ATOM 181 O LYS A 14 -0.490 10.759 -0.178 1.00 0.00 O ATOM 182 CB LYS A 14 0.123 13.084 2.585 1.00 0.00 C ATOM 183 CG LYS A 14 1.619 13.349 2.536 1.00 0.00 C ATOM 184 CD LYS A 14 2.135 13.876 3.866 1.00 0.00 C ATOM 185 CE LYS A 14 1.050 14.620 4.628 1.00 0.00 C ATOM 186 NZ LYS A 14 0.185 15.425 3.721 1.00 0.00 N ATOM 0 H LYS A 14 0.633 10.752 3.628 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.319 11.518 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.394 13.869 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.215 13.147 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.144 12.429 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.836 14.071 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.502 13.046 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.981 14.541 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.436 13.905 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.510 15.276 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.107 16.395 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.605 15.446 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.761 14.996 3.672 1.00 0.00 H new ATOM 200 N SER A 15 0.244 12.883 -0.061 1.00 0.00 N ATOM 201 CA SER A 15 0.363 13.040 -1.508 1.00 0.00 C ATOM 202 C SER A 15 1.703 12.523 -2.020 1.00 0.00 C ATOM 203 O SER A 15 2.421 13.228 -2.729 1.00 0.00 O ATOM 204 CB SER A 15 0.193 14.511 -1.894 1.00 0.00 C ATOM 205 OG SER A 15 0.660 14.750 -3.211 1.00 0.00 O ATOM 0 H SER A 15 0.507 13.710 0.475 1.00 0.00 H new ATOM 0 HA SER A 15 -0.426 12.448 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.858 14.790 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.739 15.140 -1.191 1.00 0.00 H new ATOM 0 HG SER A 15 1.639 14.712 -3.223 1.00 0.00 H new ATOM 211 N ILE A 16 2.034 11.290 -1.659 1.00 0.00 N ATOM 212 CA ILE A 16 3.282 10.679 -2.080 1.00 0.00 C ATOM 213 C ILE A 16 3.372 10.542 -3.593 1.00 0.00 C ATOM 214 O ILE A 16 2.362 10.536 -4.297 1.00 0.00 O ATOM 215 CB ILE A 16 3.443 9.279 -1.468 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.598 9.258 -0.486 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.677 8.239 -2.550 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.259 7.900 -0.394 1.00 0.00 C ATOM 0 H ILE A 16 1.450 10.693 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 16 4.075 11.341 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 16 2.520 9.037 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.339 9.999 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.237 9.550 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.788 7.256 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.828 8.227 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.584 8.486 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.079 7.942 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.528 7.161 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.647 7.617 -1.373 1.00 0.00 H new ATOM 230 N SER A 17 4.598 10.397 -4.073 1.00 0.00 N ATOM 231 CA SER A 17 4.861 10.218 -5.491 1.00 0.00 C ATOM 232 C SER A 17 5.679 8.948 -5.689 1.00 0.00 C ATOM 233 O SER A 17 6.518 8.611 -4.852 1.00 0.00 O ATOM 234 CB SER A 17 5.610 11.425 -6.057 1.00 0.00 C ATOM 235 OG SER A 17 5.164 11.734 -7.366 1.00 0.00 O ATOM 0 H SER A 17 5.436 10.400 -3.491 1.00 0.00 H new ATOM 0 HA SER A 17 3.914 10.130 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.462 12.287 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.680 11.218 -6.073 1.00 0.00 H new ATOM 0 HG SER A 17 5.657 12.510 -7.705 1.00 0.00 H new ATOM 241 N ARG A 18 5.440 8.240 -6.783 1.00 0.00 N ATOM 242 CA ARG A 18 6.172 7.010 -7.047 1.00 0.00 C ATOM 243 C ARG A 18 7.666 7.248 -6.876 1.00 0.00 C ATOM 244 O ARG A 18 8.429 6.325 -6.586 1.00 0.00 O ATOM 245 CB ARG A 18 5.879 6.504 -8.461 1.00 0.00 C ATOM 246 CG ARG A 18 6.528 7.340 -9.552 1.00 0.00 C ATOM 247 CD ARG A 18 6.586 6.585 -10.870 1.00 0.00 C ATOM 248 NE ARG A 18 5.289 6.026 -11.240 1.00 0.00 N ATOM 249 CZ ARG A 18 5.037 5.468 -12.420 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.991 5.396 -13.339 1.00 0.00 N ATOM 251 NH2 ARG A 18 3.832 4.982 -12.681 1.00 0.00 N ATOM 0 H ARG A 18 4.754 8.492 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 18 5.848 6.252 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.226 5.474 -8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.800 6.491 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.967 8.265 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.536 7.620 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.929 7.257 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.319 5.781 -10.795 1.00 0.00 H new ATOM 0 HE ARG A 18 4.534 6.066 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.919 5.769 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.796 4.968 -14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.097 5.036 -11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.640 4.554 -13.587 1.00 0.00 H new ATOM 265 N ASP A 19 8.072 8.498 -7.057 1.00 0.00 N ATOM 266 CA ASP A 19 9.470 8.881 -6.925 1.00 0.00 C ATOM 267 C ASP A 19 9.921 8.916 -5.464 1.00 0.00 C ATOM 268 O ASP A 19 10.996 8.432 -5.134 1.00 0.00 O ATOM 269 CB ASP A 19 9.703 10.249 -7.570 1.00 0.00 C ATOM 270 CG ASP A 19 11.056 10.346 -8.248 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.236 9.711 -9.308 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.936 11.056 -7.718 1.00 0.00 O ATOM 0 H ASP A 19 7.448 9.268 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 19 10.064 8.125 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.918 10.441 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.625 11.025 -6.808 1.00 0.00 H new ATOM 277 N LYS A 20 9.113 9.524 -4.599 1.00 0.00 N ATOM 278 CA LYS A 20 9.458 9.648 -3.181 1.00 0.00 C ATOM 279 C LYS A 20 9.217 8.362 -2.387 1.00 0.00 C ATOM 280 O LYS A 20 10.079 7.927 -1.605 1.00 0.00 O ATOM 281 CB LYS A 20 8.664 10.794 -2.552 1.00 0.00 C ATOM 282 CG LYS A 20 8.660 12.063 -3.389 1.00 0.00 C ATOM 283 CD LYS A 20 7.405 12.164 -4.241 1.00 0.00 C ATOM 284 CE LYS A 20 6.359 13.054 -3.589 1.00 0.00 C ATOM 285 NZ LYS A 20 6.701 13.369 -2.176 1.00 0.00 N ATOM 0 H LYS A 20 8.216 9.938 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 20 10.527 9.854 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.635 10.469 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.081 11.018 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.728 12.932 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.540 12.079 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.662 12.562 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.990 11.169 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.267 13.981 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.388 12.560 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.884 13.816 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.946 12.492 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.512 14.020 -2.152 1.00 0.00 H new ATOM 299 N ALA A 21 8.031 7.776 -2.557 1.00 0.00 N ATOM 300 CA ALA A 21 7.665 6.574 -1.818 1.00 0.00 C ATOM 301 C ALA A 21 8.768 5.521 -1.883 1.00 0.00 C ATOM 302 O ALA A 21 9.160 4.941 -0.861 1.00 0.00 O ATOM 303 CB ALA A 21 6.333 6.016 -2.312 1.00 0.00 C ATOM 0 H ALA A 21 7.313 8.115 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 21 7.544 6.851 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.082 5.119 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.552 6.764 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.413 5.766 -3.370 1.00 0.00 H new ATOM 309 N GLU A 22 9.286 5.283 -3.073 1.00 0.00 N ATOM 310 CA GLU A 22 10.351 4.309 -3.233 1.00 0.00 C ATOM 311 C GLU A 22 11.593 4.736 -2.450 1.00 0.00 C ATOM 312 O GLU A 22 12.216 3.922 -1.757 1.00 0.00 O ATOM 313 CB GLU A 22 10.685 4.120 -4.715 1.00 0.00 C ATOM 314 CG GLU A 22 9.567 3.477 -5.517 1.00 0.00 C ATOM 315 CD GLU A 22 10.082 2.496 -6.552 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.296 2.523 -6.844 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.271 1.699 -7.070 1.00 0.00 O ATOM 0 H GLU A 22 8.992 5.744 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 22 10.008 3.355 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.921 5.090 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.581 3.505 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.888 2.960 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.988 4.255 -6.015 1.00 0.00 H new ATOM 324 N LYS A 23 11.931 6.024 -2.534 1.00 0.00 N ATOM 325 CA LYS A 23 13.078 6.552 -1.809 1.00 0.00 C ATOM 326 C LYS A 23 12.841 6.354 -0.331 1.00 0.00 C ATOM 327 O LYS A 23 13.664 5.771 0.375 1.00 0.00 O ATOM 328 CB LYS A 23 13.288 8.038 -2.109 1.00 0.00 C ATOM 329 CG LYS A 23 12.595 8.506 -3.373 1.00 0.00 C ATOM 330 CD LYS A 23 13.086 7.737 -4.587 1.00 0.00 C ATOM 331 CE LYS A 23 12.195 6.543 -4.881 1.00 0.00 C ATOM 332 NZ LYS A 23 12.056 6.296 -6.343 1.00 0.00 N ATOM 0 H LYS A 23 11.428 6.713 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 23 13.976 6.021 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.923 8.625 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.356 8.235 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.518 8.377 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.776 9.571 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.110 8.398 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.108 7.398 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.608 5.656 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.209 6.711 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.059 6.400 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.634 6.983 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.378 5.332 -6.564 1.00 0.00 H new ATOM 346 N LEU A 24 11.684 6.813 0.121 1.00 0.00 N ATOM 347 CA LEU A 24 11.311 6.652 1.511 1.00 0.00 C ATOM 348 C LEU A 24 11.386 5.178 1.874 1.00 0.00 C ATOM 349 O LEU A 24 11.999 4.804 2.875 1.00 0.00 O ATOM 350 CB LEU A 24 9.901 7.172 1.731 1.00 0.00 C ATOM 351 CG LEU A 24 9.016 7.071 0.499 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.857 6.121 0.756 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.528 8.454 0.086 1.00 0.00 C ATOM 0 H LEU A 24 10.993 7.297 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 24 11.994 7.219 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.440 6.614 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.952 8.214 2.047 1.00 0.00 H new ATOM 0 HG LEU A 24 9.599 6.664 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.233 6.059 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.244 5.131 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.262 6.491 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.895 8.368 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.955 8.896 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.384 9.089 -0.142 1.00 0.00 H new ATOM 365 N LEU A 25 10.777 4.335 1.036 1.00 0.00 N ATOM 366 CA LEU A 25 10.807 2.897 1.268 1.00 0.00 C ATOM 367 C LEU A 25 12.244 2.424 1.378 1.00 0.00 C ATOM 368 O LEU A 25 12.629 1.792 2.361 1.00 0.00 O ATOM 369 CB LEU A 25 10.114 2.140 0.140 1.00 0.00 C ATOM 370 CG LEU A 25 8.668 1.741 0.430 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.076 0.990 -0.752 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.600 0.899 1.696 1.00 0.00 C ATOM 0 H LEU A 25 10.265 4.623 0.202 1.00 0.00 H new ATOM 0 HA LEU A 25 10.275 2.696 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.133 2.757 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.687 1.240 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 25 8.079 2.645 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.046 0.713 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.097 1.628 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.661 0.090 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.565 0.621 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.200 -0.002 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.987 1.475 2.537 1.00 0.00 H new ATOM 384 N LEU A 26 13.042 2.744 0.363 1.00 0.00 N ATOM 385 CA LEU A 26 14.442 2.356 0.362 1.00 0.00 C ATOM 386 C LEU A 26 15.097 2.789 1.667 1.00 0.00 C ATOM 387 O LEU A 26 16.118 2.238 2.080 1.00 0.00 O ATOM 388 CB LEU A 26 15.170 2.990 -0.824 1.00 0.00 C ATOM 389 CG LEU A 26 15.792 1.997 -1.809 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.946 1.252 -1.157 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.741 1.021 -2.314 1.00 0.00 C ATOM 0 H LEU A 26 12.743 3.266 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 26 14.507 1.272 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.467 3.623 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.957 3.641 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 26 16.182 2.553 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.376 0.550 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.709 1.965 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.581 0.706 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.200 0.322 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.322 0.470 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.947 1.571 -2.819 1.00 0.00 H new ATOM 403 N ASP A 27 14.491 3.782 2.312 1.00 0.00 N ATOM 404 CA ASP A 27 14.997 4.300 3.576 1.00 0.00 C ATOM 405 C ASP A 27 14.602 3.390 4.735 1.00 0.00 C ATOM 406 O ASP A 27 15.398 3.147 5.642 1.00 0.00 O ATOM 407 CB ASP A 27 14.466 5.715 3.819 1.00 0.00 C ATOM 408 CG ASP A 27 14.045 5.934 5.259 1.00 0.00 C ATOM 409 OD1 ASP A 27 12.992 5.393 5.659 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.767 6.648 5.986 1.00 0.00 O ATOM 0 H ASP A 27 13.646 4.244 1.977 1.00 0.00 H new ATOM 0 HA ASP A 27 16.085 4.332 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.236 6.440 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.616 5.899 3.162 1.00 0.00 H new ATOM 415 N THR A 28 13.369 2.887 4.703 1.00 0.00 N ATOM 416 CA THR A 28 12.886 2.004 5.761 1.00 0.00 C ATOM 417 C THR A 28 13.788 0.780 5.875 1.00 0.00 C ATOM 418 O THR A 28 14.337 0.498 6.940 1.00 0.00 O ATOM 419 CB THR A 28 11.447 1.571 5.481 1.00 0.00 C ATOM 420 OG1 THR A 28 11.344 0.967 4.203 1.00 0.00 O ATOM 421 CG2 THR A 28 10.453 2.709 5.532 1.00 0.00 C ATOM 0 H THR A 28 12.692 3.074 3.963 1.00 0.00 H new ATOM 0 HA THR A 28 12.908 2.549 6.705 1.00 0.00 H new ATOM 0 HB THR A 28 11.202 0.865 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.603 1.614 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.453 2.328 5.324 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.470 3.162 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.719 3.458 4.786 1.00 0.00 H new ATOM 429 N GLY A 29 13.965 0.079 4.760 1.00 0.00 N ATOM 430 CA GLY A 29 14.836 -1.084 4.746 1.00 0.00 C ATOM 431 C GLY A 29 14.148 -2.390 5.108 1.00 0.00 C ATOM 432 O GLY A 29 14.767 -3.267 5.709 1.00 0.00 O ATOM 0 H GLY A 29 13.522 0.294 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.275 -1.182 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.658 -0.915 5.442 1.00 0.00 H new ATOM 436 N LYS A 30 12.882 -2.541 4.733 1.00 0.00 N ATOM 437 CA LYS A 30 12.157 -3.776 5.022 1.00 0.00 C ATOM 438 C LYS A 30 11.751 -4.483 3.736 1.00 0.00 C ATOM 439 O LYS A 30 11.487 -3.847 2.716 1.00 0.00 O ATOM 440 CB LYS A 30 10.911 -3.508 5.864 1.00 0.00 C ATOM 441 CG LYS A 30 11.136 -2.541 7.007 1.00 0.00 C ATOM 442 CD LYS A 30 11.113 -1.107 6.522 1.00 0.00 C ATOM 443 CE LYS A 30 10.150 -0.943 5.361 1.00 0.00 C ATOM 444 NZ LYS A 30 8.877 -1.676 5.596 1.00 0.00 N ATOM 0 H LYS A 30 12.341 -1.834 4.235 1.00 0.00 H new ATOM 0 HA LYS A 30 12.832 -4.417 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.126 -3.114 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.548 -4.453 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.366 -2.684 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.094 -2.752 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.820 -0.447 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.115 -0.807 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.938 0.116 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.617 -1.308 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.077 -1.094 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.888 -2.571 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.774 -1.877 6.611 1.00 0.00 H new ATOM 458 N GLU A 31 11.697 -5.805 3.800 1.00 0.00 N ATOM 459 CA GLU A 31 11.315 -6.614 2.653 1.00 0.00 C ATOM 460 C GLU A 31 9.802 -6.725 2.582 1.00 0.00 C ATOM 461 O GLU A 31 9.175 -7.373 3.419 1.00 0.00 O ATOM 462 CB GLU A 31 11.943 -8.005 2.742 1.00 0.00 C ATOM 463 CG GLU A 31 11.016 -9.055 3.333 1.00 0.00 C ATOM 464 CD GLU A 31 11.590 -10.455 3.246 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.831 -10.591 3.271 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.798 -11.417 3.152 1.00 0.00 O ATOM 0 H GLU A 31 11.914 -6.342 4.639 1.00 0.00 H new ATOM 0 HA GLU A 31 11.681 -6.131 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.247 -8.321 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.847 -7.948 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.817 -8.812 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.060 -9.025 2.811 1.00 0.00 H new ATOM 473 N GLY A 32 9.221 -6.064 1.593 1.00 0.00 N ATOM 474 CA GLY A 32 7.786 -6.071 1.444 1.00 0.00 C ATOM 475 C GLY A 32 7.178 -4.863 2.112 1.00 0.00 C ATOM 476 O GLY A 32 5.983 -4.835 2.409 1.00 0.00 O ATOM 0 H GLY A 32 9.722 -5.521 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.525 -6.078 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.374 -6.981 1.880 1.00 0.00 H new ATOM 480 N ALA A 33 8.015 -3.856 2.349 1.00 0.00 N ATOM 481 CA ALA A 33 7.569 -2.627 2.987 1.00 0.00 C ATOM 482 C ALA A 33 6.261 -2.167 2.367 1.00 0.00 C ATOM 483 O ALA A 33 6.134 -2.132 1.145 1.00 0.00 O ATOM 484 CB ALA A 33 8.632 -1.549 2.852 1.00 0.00 C ATOM 0 H ALA A 33 9.006 -3.870 2.107 1.00 0.00 H new ATOM 0 HA ALA A 33 7.405 -2.817 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.286 -0.634 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.553 -1.884 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.821 -1.354 1.796 1.00 0.00 H new ATOM 490 N PHE A 34 5.284 -1.831 3.199 1.00 0.00 N ATOM 491 CA PHE A 34 3.990 -1.397 2.691 1.00 0.00 C ATOM 492 C PHE A 34 3.709 0.063 2.973 1.00 0.00 C ATOM 493 O PHE A 34 3.871 0.533 4.090 1.00 0.00 O ATOM 494 CB PHE A 34 2.865 -2.200 3.307 1.00 0.00 C ATOM 495 CG PHE A 34 1.562 -1.468 3.207 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.019 -1.195 1.965 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.877 -1.045 4.332 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.173 -0.519 1.848 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.305 -0.375 4.218 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.838 -0.104 2.979 1.00 0.00 C ATOM 0 H PHE A 34 5.361 -1.850 4.216 1.00 0.00 H new ATOM 0 HA PHE A 34 4.036 -1.553 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.784 -3.163 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.091 -2.405 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.538 -1.517 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.283 -1.248 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.586 -0.314 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.827 -0.054 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.772 0.431 2.895 1.00 0.00 H new ATOM 510 N MET A 35 3.244 0.771 1.964 1.00 0.00 N ATOM 511 CA MET A 35 2.898 2.168 2.132 1.00 0.00 C ATOM 512 C MET A 35 1.699 2.527 1.272 1.00 0.00 C ATOM 513 O MET A 35 1.370 1.815 0.327 1.00 0.00 O ATOM 514 CB MET A 35 4.084 3.054 1.779 1.00 0.00 C ATOM 515 CG MET A 35 3.760 4.531 1.772 1.00 0.00 C ATOM 516 SD MET A 35 5.110 5.508 1.122 1.00 0.00 S ATOM 517 CE MET A 35 6.199 5.453 2.539 1.00 0.00 C ATOM 0 H MET A 35 3.097 0.405 1.023 1.00 0.00 H new ATOM 0 HA MET A 35 2.637 2.334 3.177 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.888 2.871 2.492 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.459 2.769 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.866 4.704 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.532 4.857 2.787 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.981 6.204 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.628 5.657 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.653 4.465 2.611 1.00 0.00 H new ATOM 527 N VAL A 36 1.059 3.637 1.594 1.00 0.00 N ATOM 528 CA VAL A 36 -0.091 4.091 0.826 1.00 0.00 C ATOM 529 C VAL A 36 0.094 5.534 0.408 1.00 0.00 C ATOM 530 O VAL A 36 0.736 6.317 1.107 1.00 0.00 O ATOM 531 CB VAL A 36 -1.420 3.929 1.583 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.561 4.547 0.790 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.687 2.458 1.851 1.00 0.00 C ATOM 0 H VAL A 36 1.313 4.239 2.377 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.148 3.455 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.349 4.450 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.494 4.424 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.366 5.609 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.642 4.052 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.630 2.351 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.745 1.920 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.878 2.045 2.454 1.00 0.00 H new ATOM 543 N ARG A 37 -0.436 5.873 -0.754 1.00 0.00 N ATOM 544 CA ARG A 37 -0.288 7.215 -1.282 1.00 0.00 C ATOM 545 C ARG A 37 -1.524 7.642 -2.065 1.00 0.00 C ATOM 546 O ARG A 37 -1.954 6.958 -2.994 1.00 0.00 O ATOM 547 CB ARG A 37 0.960 7.253 -2.166 1.00 0.00 C ATOM 548 CG ARG A 37 1.908 6.099 -1.912 1.00 0.00 C ATOM 549 CD ARG A 37 2.015 5.199 -3.128 1.00 0.00 C ATOM 550 NE ARG A 37 2.880 5.762 -4.163 1.00 0.00 N ATOM 551 CZ ARG A 37 2.451 6.543 -5.153 1.00 0.00 C ATOM 552 NH1 ARG A 37 1.165 6.847 -5.258 1.00 0.00 N ATOM 553 NH2 ARG A 37 3.311 7.014 -6.043 1.00 0.00 N ATOM 0 H ARG A 37 -0.971 5.239 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.178 7.919 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.656 7.241 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.488 8.192 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.894 6.485 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.559 5.520 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.402 4.227 -2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.020 5.031 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 37 3.875 5.543 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.498 6.482 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.843 7.446 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.301 6.779 -5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.984 7.612 -6.802 1.00 0.00 H new ATOM 567 N ASP A 38 -2.095 8.779 -1.675 1.00 0.00 N ATOM 568 CA ASP A 38 -3.287 9.307 -2.328 1.00 0.00 C ATOM 569 C ASP A 38 -3.092 9.401 -3.837 1.00 0.00 C ATOM 570 O ASP A 38 -1.983 9.628 -4.319 1.00 0.00 O ATOM 571 CB ASP A 38 -3.638 10.683 -1.760 1.00 0.00 C ATOM 572 CG ASP A 38 -5.082 11.065 -2.022 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.901 10.156 -2.272 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.394 12.274 -1.976 1.00 0.00 O ATOM 0 H ASP A 38 -1.749 9.353 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.109 8.619 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.453 10.688 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.981 11.433 -2.200 1.00 0.00 H new ATOM 579 N SER A 39 -4.182 9.223 -4.578 1.00 0.00 N ATOM 580 CA SER A 39 -4.135 9.285 -6.033 1.00 0.00 C ATOM 581 C SER A 39 -5.450 9.814 -6.601 1.00 0.00 C ATOM 582 O SER A 39 -6.526 9.509 -6.086 1.00 0.00 O ATOM 583 CB SER A 39 -3.845 7.899 -6.607 1.00 0.00 C ATOM 584 OG SER A 39 -3.827 7.924 -8.023 1.00 0.00 O ATOM 0 H SER A 39 -5.108 9.035 -4.194 1.00 0.00 H new ATOM 0 HA SER A 39 -3.336 9.970 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.885 7.542 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.602 7.194 -6.263 1.00 0.00 H new ATOM 0 HG SER A 39 -4.026 7.029 -8.369 1.00 0.00 H new ATOM 590 N ARG A 40 -5.356 10.599 -7.669 1.00 0.00 N ATOM 591 CA ARG A 40 -6.541 11.159 -8.310 1.00 0.00 C ATOM 592 C ARG A 40 -7.409 10.048 -8.890 1.00 0.00 C ATOM 593 O ARG A 40 -8.497 10.297 -9.409 1.00 0.00 O ATOM 594 CB ARG A 40 -6.138 12.138 -9.415 1.00 0.00 C ATOM 595 CG ARG A 40 -7.223 12.365 -10.453 1.00 0.00 C ATOM 596 CD ARG A 40 -7.175 11.313 -11.550 1.00 0.00 C ATOM 597 NE ARG A 40 -7.828 11.767 -12.774 1.00 0.00 N ATOM 598 CZ ARG A 40 -7.435 12.831 -13.466 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.397 13.546 -13.056 1.00 0.00 N ATOM 600 NH2 ARG A 40 -8.082 13.181 -14.570 1.00 0.00 N ATOM 0 H ARG A 40 -4.474 10.862 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.116 11.696 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.874 13.094 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.244 11.763 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.200 12.344 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.106 13.356 -10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.137 11.061 -11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.658 10.401 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.630 11.238 -13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.898 13.280 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.097 14.362 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.882 12.633 -14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.780 13.998 -15.101 1.00 0.00 H new ATOM 614 N THR A 41 -6.914 8.820 -8.791 1.00 0.00 N ATOM 615 CA THR A 41 -7.626 7.652 -9.296 1.00 0.00 C ATOM 616 C THR A 41 -9.120 7.744 -8.979 1.00 0.00 C ATOM 617 O THR A 41 -9.580 8.728 -8.400 1.00 0.00 O ATOM 618 CB THR A 41 -7.023 6.384 -8.686 1.00 0.00 C ATOM 619 OG1 THR A 41 -6.653 5.466 -9.700 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.954 5.669 -7.731 1.00 0.00 C ATOM 0 H THR A 41 -6.014 8.606 -8.361 1.00 0.00 H new ATOM 0 HA THR A 41 -7.519 7.615 -10.380 1.00 0.00 H new ATOM 0 HB THR A 41 -6.153 6.724 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.728 4.551 -9.357 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.460 4.780 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.212 6.335 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.862 5.376 -8.259 1.00 0.00 H new ATOM 628 N PRO A 42 -9.900 6.717 -9.361 1.00 0.00 N ATOM 629 CA PRO A 42 -11.349 6.674 -9.129 1.00 0.00 C ATOM 630 C PRO A 42 -11.754 7.060 -7.704 1.00 0.00 C ATOM 631 O PRO A 42 -12.923 6.943 -7.337 1.00 0.00 O ATOM 632 CB PRO A 42 -11.726 5.210 -9.411 1.00 0.00 C ATOM 633 CG PRO A 42 -10.435 4.485 -9.614 1.00 0.00 C ATOM 634 CD PRO A 42 -9.442 5.515 -10.062 1.00 0.00 C ATOM 0 HA PRO A 42 -11.863 7.396 -9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.286 4.784 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.360 5.133 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.109 4.005 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.544 3.698 -10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.423 5.245 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.453 5.646 -11.144 1.00 0.00 H new ATOM 642 N GLY A 43 -10.798 7.525 -6.906 1.00 0.00 N ATOM 643 CA GLY A 43 -11.105 7.919 -5.543 1.00 0.00 C ATOM 644 C GLY A 43 -10.470 7.017 -4.504 1.00 0.00 C ATOM 645 O GLY A 43 -10.871 7.027 -3.340 1.00 0.00 O ATOM 0 H GLY A 43 -9.821 7.636 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.766 8.942 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.186 7.916 -5.405 1.00 0.00 H new ATOM 649 N THR A 44 -9.480 6.236 -4.919 1.00 0.00 N ATOM 650 CA THR A 44 -8.798 5.329 -4.005 1.00 0.00 C ATOM 651 C THR A 44 -7.455 5.891 -3.560 1.00 0.00 C ATOM 652 O THR A 44 -7.170 7.077 -3.724 1.00 0.00 O ATOM 653 CB THR A 44 -8.573 3.963 -4.654 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.214 3.581 -4.545 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.939 3.909 -6.120 1.00 0.00 C ATOM 0 H THR A 44 -9.133 6.212 -5.878 1.00 0.00 H new ATOM 0 HA THR A 44 -9.442 5.216 -3.133 1.00 0.00 H new ATOM 0 HB THR A 44 -9.232 3.284 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.001 2.926 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.750 2.907 -6.505 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.995 4.151 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.336 4.630 -6.672 1.00 0.00 H new ATOM 663 N TYR A 45 -6.636 5.010 -3.004 1.00 0.00 N ATOM 664 CA TYR A 45 -5.309 5.363 -2.530 1.00 0.00 C ATOM 665 C TYR A 45 -4.271 4.439 -3.154 1.00 0.00 C ATOM 666 O TYR A 45 -4.601 3.354 -3.629 1.00 0.00 O ATOM 667 CB TYR A 45 -5.236 5.263 -1.006 1.00 0.00 C ATOM 668 CG TYR A 45 -6.319 6.027 -0.288 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.644 5.637 -0.390 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.016 7.132 0.494 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.643 6.326 0.270 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.008 7.829 1.158 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.320 7.422 1.042 1.00 0.00 C ATOM 674 OH TYR A 45 -9.311 8.112 1.701 1.00 0.00 O ATOM 0 H TYR A 45 -6.875 4.028 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.102 6.392 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.294 4.213 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.265 5.631 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.900 4.780 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.989 7.453 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.671 6.008 0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.757 8.687 1.764 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.915 8.856 2.201 1.00 0.00 H new ATOM 684 N THR A 46 -3.019 4.870 -3.151 1.00 0.00 N ATOM 685 CA THR A 46 -1.939 4.069 -3.708 1.00 0.00 C ATOM 686 C THR A 46 -1.193 3.356 -2.587 1.00 0.00 C ATOM 687 O THR A 46 -1.110 3.873 -1.476 1.00 0.00 O ATOM 688 CB THR A 46 -0.981 4.952 -4.501 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.691 5.753 -5.430 1.00 0.00 O ATOM 690 CG2 THR A 46 0.055 4.163 -5.270 1.00 0.00 C ATOM 0 H THR A 46 -2.725 5.769 -2.769 1.00 0.00 H new ATOM 0 HA THR A 46 -2.362 3.324 -4.382 1.00 0.00 H new ATOM 0 HB THR A 46 -0.470 5.568 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.124 5.931 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.705 4.849 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.651 3.571 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.444 3.500 -5.977 1.00 0.00 H new ATOM 698 N VAL A 47 -0.655 2.170 -2.865 1.00 0.00 N ATOM 699 CA VAL A 47 0.069 1.428 -1.841 1.00 0.00 C ATOM 700 C VAL A 47 1.514 1.184 -2.231 1.00 0.00 C ATOM 701 O VAL A 47 1.807 0.381 -3.114 1.00 0.00 O ATOM 702 CB VAL A 47 -0.573 0.071 -1.521 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.408 -0.781 -0.724 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.878 0.262 -0.763 1.00 0.00 C ATOM 0 H VAL A 47 -0.706 1.711 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 47 0.024 2.060 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.807 -0.445 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.048 -1.745 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.314 -0.937 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.661 -0.271 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.318 -0.711 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.683 0.789 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.570 0.845 -1.371 1.00 0.00 H new ATOM 714 N SER A 48 2.416 1.860 -1.546 1.00 0.00 N ATOM 715 CA SER A 48 3.836 1.695 -1.803 1.00 0.00 C ATOM 716 C SER A 48 4.361 0.455 -1.084 1.00 0.00 C ATOM 717 O SER A 48 4.443 0.427 0.146 1.00 0.00 O ATOM 718 CB SER A 48 4.620 2.938 -1.354 1.00 0.00 C ATOM 719 OG SER A 48 5.795 2.575 -0.652 1.00 0.00 O ATOM 0 H SER A 48 2.193 2.528 -0.808 1.00 0.00 H new ATOM 0 HA SER A 48 3.977 1.569 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.884 3.539 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.990 3.559 -0.717 1.00 0.00 H new ATOM 0 HG SER A 48 6.191 3.372 -0.242 1.00 0.00 H new ATOM 725 N VAL A 49 4.721 -0.567 -1.859 1.00 0.00 N ATOM 726 CA VAL A 49 5.255 -1.804 -1.297 1.00 0.00 C ATOM 727 C VAL A 49 6.716 -1.958 -1.717 1.00 0.00 C ATOM 728 O VAL A 49 7.051 -1.778 -2.890 1.00 0.00 O ATOM 729 CB VAL A 49 4.439 -3.034 -1.736 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.973 -2.864 -1.346 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.583 -3.265 -3.231 1.00 0.00 C ATOM 0 H VAL A 49 4.652 -0.562 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 49 5.185 -1.744 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 49 4.828 -3.913 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.408 -3.741 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.895 -2.753 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.568 -1.977 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.999 -4.138 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.221 -2.390 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.632 -3.433 -3.474 1.00 0.00 H new ATOM 741 N PHE A 50 7.595 -2.226 -0.750 1.00 0.00 N ATOM 742 CA PHE A 50 9.028 -2.316 -1.043 1.00 0.00 C ATOM 743 C PHE A 50 9.681 -3.618 -0.559 1.00 0.00 C ATOM 744 O PHE A 50 9.452 -4.074 0.566 1.00 0.00 O ATOM 745 CB PHE A 50 9.704 -1.081 -0.443 1.00 0.00 C ATOM 746 CG PHE A 50 11.108 -1.265 0.049 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.365 -1.873 1.269 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.172 -0.777 -0.690 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.657 -1.993 1.730 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.463 -0.890 -0.228 1.00 0.00 C ATOM 751 CZ PHE A 50 13.706 -1.497 0.982 1.00 0.00 C ATOM 0 H PHE A 50 7.347 -2.382 0.227 1.00 0.00 H new ATOM 0 HA PHE A 50 9.160 -2.340 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.706 -0.293 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.094 -0.727 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.546 -2.255 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.986 -0.301 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.850 -2.475 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.284 -0.503 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.718 -1.586 1.347 1.00 0.00 H new ATOM 761 N THR A 51 10.491 -4.202 -1.455 1.00 0.00 N ATOM 762 CA THR A 51 11.208 -5.462 -1.206 1.00 0.00 C ATOM 763 C THR A 51 12.659 -5.232 -0.816 1.00 0.00 C ATOM 764 O THR A 51 13.345 -4.392 -1.398 1.00 0.00 O ATOM 765 CB THR A 51 11.209 -6.351 -2.447 1.00 0.00 C ATOM 766 OG1 THR A 51 9.912 -6.844 -2.728 1.00 0.00 O ATOM 767 CG2 THR A 51 12.144 -7.534 -2.315 1.00 0.00 C ATOM 0 H THR A 51 10.668 -3.810 -2.380 1.00 0.00 H new ATOM 0 HA THR A 51 10.678 -5.944 -0.384 1.00 0.00 H new ATOM 0 HB THR A 51 11.556 -5.715 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.583 -6.443 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.105 -8.132 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.162 -7.177 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.839 -8.146 -1.466 1.00 0.00 H new ATOM 775 N LYS A 52 13.134 -6.011 0.147 1.00 0.00 N ATOM 776 CA LYS A 52 14.515 -5.918 0.579 1.00 0.00 C ATOM 777 C LYS A 52 15.423 -6.612 -0.415 1.00 0.00 C ATOM 778 O LYS A 52 14.969 -7.421 -1.225 1.00 0.00 O ATOM 779 CB LYS A 52 14.687 -6.526 1.964 1.00 0.00 C ATOM 780 CG LYS A 52 14.426 -5.522 3.057 1.00 0.00 C ATOM 781 CD LYS A 52 14.145 -4.154 2.459 1.00 0.00 C ATOM 782 CE LYS A 52 15.436 -3.418 2.140 1.00 0.00 C ATOM 783 NZ LYS A 52 16.636 -4.196 2.556 1.00 0.00 N ATOM 0 H LYS A 52 12.581 -6.712 0.641 1.00 0.00 H new ATOM 0 HA LYS A 52 14.789 -4.864 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.006 -7.370 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.699 -6.917 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.578 -5.844 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.288 -5.466 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.553 -4.266 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.550 -3.564 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.485 -3.219 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.437 -2.452 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.494 -3.645 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.585 -4.394 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.667 -5.093 2.031 1.00 0.00 H new ATOM 797 N ALA A 53 16.702 -6.280 -0.368 1.00 0.00 N ATOM 798 CA ALA A 53 17.655 -6.865 -1.288 1.00 0.00 C ATOM 799 C ALA A 53 19.016 -6.185 -1.174 1.00 0.00 C ATOM 800 O ALA A 53 19.499 -5.933 -0.071 1.00 0.00 O ATOM 801 CB ALA A 53 17.108 -6.752 -2.700 1.00 0.00 C ATOM 0 H ALA A 53 17.100 -5.613 0.293 1.00 0.00 H new ATOM 0 HA ALA A 53 17.799 -7.916 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.818 -7.190 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.159 -7.283 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.954 -5.702 -2.948 1.00 0.00 H new ATOM 807 N ILE A 54 19.625 -5.886 -2.319 1.00 0.00 N ATOM 808 CA ILE A 54 20.928 -5.228 -2.349 1.00 0.00 C ATOM 809 C ILE A 54 21.998 -6.145 -2.933 1.00 0.00 C ATOM 810 O ILE A 54 22.639 -6.906 -2.210 1.00 0.00 O ATOM 811 CB ILE A 54 21.372 -4.776 -0.945 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.458 -3.705 -1.050 1.00 0.00 C ATOM 813 CG2 ILE A 54 21.871 -5.966 -0.137 1.00 0.00 C ATOM 814 CD1 ILE A 54 23.632 -3.942 -0.125 1.00 0.00 C ATOM 0 H ILE A 54 19.236 -6.090 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 54 20.815 -4.350 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 54 20.513 -4.347 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.818 -3.664 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.020 -2.732 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.181 -5.630 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.071 -6.699 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 54 22.719 -6.422 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 54 24.363 -3.144 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 54 23.285 -3.953 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 24.095 -4.900 -0.363 1.00 0.00 H new ATOM 826 N ILE A 55 22.185 -6.062 -4.246 1.00 0.00 N ATOM 827 CA ILE A 55 23.178 -6.879 -4.936 1.00 0.00 C ATOM 828 C ILE A 55 23.021 -6.763 -6.448 1.00 0.00 C ATOM 829 O ILE A 55 23.312 -5.720 -7.033 1.00 0.00 O ATOM 830 CB ILE A 55 23.072 -8.363 -4.532 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.606 -8.758 -4.330 1.00 0.00 C ATOM 832 CG2 ILE A 55 23.885 -8.631 -3.273 1.00 0.00 C ATOM 833 CD1 ILE A 55 21.154 -8.713 -2.886 1.00 0.00 C ATOM 0 H ILE A 55 21.660 -5.435 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 55 24.158 -6.503 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 55 23.481 -8.974 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.976 -8.092 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.454 -9.766 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.799 -9.683 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.931 -8.388 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.507 -8.014 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.106 -9.005 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.758 -9.400 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.272 -7.701 -2.499 1.00 0.00 H new ATOM 845 N SER A 56 22.555 -7.839 -7.074 1.00 0.00 N ATOM 846 CA SER A 56 22.352 -7.856 -8.518 1.00 0.00 C ATOM 847 C SER A 56 20.865 -7.878 -8.849 1.00 0.00 C ATOM 848 O SER A 56 20.477 -8.006 -10.011 1.00 0.00 O ATOM 849 CB SER A 56 23.046 -9.070 -9.137 1.00 0.00 C ATOM 850 OG SER A 56 23.212 -8.904 -10.536 1.00 0.00 O ATOM 0 H SER A 56 22.311 -8.711 -6.604 1.00 0.00 H new ATOM 0 HA SER A 56 22.788 -6.949 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 24.019 -9.216 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.459 -9.968 -8.941 1.00 0.00 H new ATOM 0 HG SER A 56 22.381 -8.561 -10.926 1.00 0.00 H new ATOM 856 N GLU A 57 20.038 -7.756 -7.815 1.00 0.00 N ATOM 857 CA GLU A 57 18.590 -7.764 -7.986 1.00 0.00 C ATOM 858 C GLU A 57 17.916 -8.471 -6.815 1.00 0.00 C ATOM 859 O GLU A 57 18.471 -9.407 -6.240 1.00 0.00 O ATOM 860 CB GLU A 57 18.211 -8.450 -9.299 1.00 0.00 C ATOM 861 CG GLU A 57 18.069 -7.490 -10.468 1.00 0.00 C ATOM 862 CD GLU A 57 16.628 -7.311 -10.903 1.00 0.00 C ATOM 863 OE1 GLU A 57 15.771 -7.059 -10.029 1.00 0.00 O ATOM 864 OE2 GLU A 57 16.355 -7.423 -12.116 1.00 0.00 O ATOM 0 H GLU A 57 20.347 -7.650 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 57 18.244 -6.731 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.968 -9.195 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.271 -8.984 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.484 -6.521 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.656 -7.859 -11.309 1.00 0.00 H new ATOM 871 N ASN A 58 16.715 -8.021 -6.466 1.00 0.00 N ATOM 872 CA ASN A 58 15.968 -8.616 -5.365 1.00 0.00 C ATOM 873 C ASN A 58 15.141 -7.565 -4.628 1.00 0.00 C ATOM 874 O ASN A 58 14.057 -7.860 -4.127 1.00 0.00 O ATOM 875 CB ASN A 58 16.921 -9.312 -4.392 1.00 0.00 C ATOM 876 CG ASN A 58 17.087 -10.787 -4.700 1.00 0.00 C ATOM 877 OD1 ASN A 58 17.526 -11.565 -3.853 1.00 0.00 O ATOM 878 ND2 ASN A 58 16.735 -11.180 -5.919 1.00 0.00 N ATOM 0 H ASN A 58 16.239 -7.247 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 58 15.284 -9.355 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.895 -8.824 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.546 -9.196 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.824 -12.161 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.376 -10.501 -6.590 1.00 0.00 H new ATOM 885 N PRO A 59 15.639 -6.318 -4.560 1.00 0.00 N ATOM 886 CA PRO A 59 14.937 -5.226 -3.892 1.00 0.00 C ATOM 887 C PRO A 59 13.936 -4.577 -4.829 1.00 0.00 C ATOM 888 O PRO A 59 14.299 -4.108 -5.907 1.00 0.00 O ATOM 889 CB PRO A 59 16.063 -4.270 -3.544 1.00 0.00 C ATOM 890 CG PRO A 59 17.054 -4.441 -4.650 1.00 0.00 C ATOM 891 CD PRO A 59 16.918 -5.868 -5.139 1.00 0.00 C ATOM 0 HA PRO A 59 14.359 -5.544 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.707 -3.242 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.503 -4.510 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.859 -3.735 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.067 -4.248 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.904 -5.918 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.749 -6.487 -4.802 1.00 0.00 H new ATOM 899 N CYS A 60 12.672 -4.585 -4.438 1.00 0.00 N ATOM 900 CA CYS A 60 11.633 -4.022 -5.294 1.00 0.00 C ATOM 901 C CYS A 60 10.644 -3.141 -4.546 1.00 0.00 C ATOM 902 O CYS A 60 10.199 -3.475 -3.452 1.00 0.00 O ATOM 903 CB CYS A 60 10.874 -5.146 -5.999 1.00 0.00 C ATOM 904 SG CYS A 60 9.116 -5.222 -5.585 1.00 0.00 S ATOM 0 H CYS A 60 12.342 -4.966 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 60 12.143 -3.386 -6.018 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.977 -5.019 -7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.338 -6.099 -5.744 1.00 0.00 H new ATOM 0 HG CYS A 60 8.920 -4.676 -4.422 1.00 0.00 H new ATOM 910 N ILE A 61 10.251 -2.046 -5.183 1.00 0.00 N ATOM 911 CA ILE A 61 9.255 -1.154 -4.616 1.00 0.00 C ATOM 912 C ILE A 61 8.058 -1.096 -5.543 1.00 0.00 C ATOM 913 O ILE A 61 8.092 -0.423 -6.573 1.00 0.00 O ATOM 914 CB ILE A 61 9.761 0.279 -4.401 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.992 0.295 -3.494 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.639 1.115 -3.800 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.948 -0.851 -3.745 1.00 0.00 C ATOM 0 H ILE A 61 10.609 -1.756 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 61 8.999 -1.560 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 61 10.057 0.703 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.523 1.237 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.667 0.264 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.989 2.135 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.787 1.124 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.336 0.685 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.796 -0.773 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.434 -1.797 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.304 -0.809 -4.775 1.00 0.00 H new ATOM 929 N LYS A 62 7.007 -1.810 -5.188 1.00 0.00 N ATOM 930 CA LYS A 62 5.815 -1.839 -6.013 1.00 0.00 C ATOM 931 C LYS A 62 4.718 -0.973 -5.415 1.00 0.00 C ATOM 932 O LYS A 62 4.366 -1.115 -4.242 1.00 0.00 O ATOM 933 CB LYS A 62 5.322 -3.275 -6.185 1.00 0.00 C ATOM 934 CG LYS A 62 6.445 -4.292 -6.309 1.00 0.00 C ATOM 935 CD LYS A 62 6.401 -5.010 -7.648 1.00 0.00 C ATOM 936 CE LYS A 62 5.429 -6.179 -7.623 1.00 0.00 C ATOM 937 NZ LYS A 62 4.158 -5.830 -6.930 1.00 0.00 N ATOM 0 H LYS A 62 6.954 -2.374 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 62 6.071 -1.435 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.695 -3.540 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.693 -3.331 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.406 -3.790 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.368 -5.020 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.107 -4.308 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.398 -5.370 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.212 -6.492 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.895 -7.028 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.445 -6.563 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.326 -5.770 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.813 -4.913 -7.278 1.00 0.00 H new ATOM 951 N HIS A 63 4.180 -0.076 -6.229 1.00 0.00 N ATOM 952 CA HIS A 63 3.120 0.803 -5.780 1.00 0.00 C ATOM 953 C HIS A 63 1.763 0.172 -6.083 1.00 0.00 C ATOM 954 O HIS A 63 1.319 0.156 -7.231 1.00 0.00 O ATOM 955 CB HIS A 63 3.233 2.162 -6.469 1.00 0.00 C ATOM 956 CG HIS A 63 4.644 2.639 -6.625 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.346 3.296 -5.640 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.488 2.540 -7.683 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.567 3.572 -6.119 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.704 3.134 -7.355 1.00 0.00 N ATOM 0 H HIS A 63 4.462 0.059 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 63 3.213 0.950 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.768 2.101 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.670 2.899 -5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.254 2.075 -8.629 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.338 4.086 -5.565 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.530 3.214 -7.948 1.00 0.00 H new ATOM 968 N TYR A 64 1.117 -0.357 -5.051 1.00 0.00 N ATOM 969 CA TYR A 64 -0.180 -1.003 -5.206 1.00 0.00 C ATOM 970 C TYR A 64 -1.315 -0.023 -4.997 1.00 0.00 C ATOM 971 O TYR A 64 -1.527 0.461 -3.887 1.00 0.00 O ATOM 972 CB TYR A 64 -0.321 -2.151 -4.211 1.00 0.00 C ATOM 973 CG TYR A 64 0.762 -3.181 -4.343 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.664 -3.122 -5.388 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.875 -4.208 -3.426 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.659 -4.067 -5.520 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.866 -5.162 -3.545 1.00 0.00 C ATOM 978 CZ TYR A 64 2.757 -5.088 -4.597 1.00 0.00 C ATOM 979 OH TYR A 64 3.746 -6.035 -4.724 1.00 0.00 O ATOM 0 H TYR A 64 1.472 -0.351 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.235 -1.387 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.310 -1.749 -3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.289 -2.630 -4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.588 -2.324 -6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.178 -4.266 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.358 -4.009 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.944 -5.960 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 64 3.352 -6.881 -5.023 1.00 0.00 H new ATOM 989 N HIS A 65 -2.067 0.253 -6.051 1.00 0.00 N ATOM 990 CA HIS A 65 -3.186 1.156 -5.917 1.00 0.00 C ATOM 991 C HIS A 65 -4.381 0.414 -5.372 1.00 0.00 C ATOM 992 O HIS A 65 -4.602 -0.753 -5.690 1.00 0.00 O ATOM 993 CB HIS A 65 -3.551 1.840 -7.226 1.00 0.00 C ATOM 994 CG HIS A 65 -3.897 3.266 -7.010 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.926 3.844 -5.770 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.221 4.240 -7.889 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.255 5.124 -5.921 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.447 5.422 -7.192 1.00 0.00 N ATOM 0 H HIS A 65 -1.924 -0.128 -6.986 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.884 1.940 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.715 1.768 -7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.394 1.324 -7.686 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.730 3.376 -4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.293 4.120 -8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.352 5.828 -5.108 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.151 1.095 -4.547 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.326 0.483 -3.956 1.00 0.00 C ATOM 1008 C ILE A 66 -7.525 0.649 -4.873 1.00 0.00 C ATOM 1009 O ILE A 66 -8.088 1.734 -4.991 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.639 1.079 -2.568 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.388 1.735 -1.975 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.164 -0.002 -1.634 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.514 0.787 -1.184 1.00 0.00 C ATOM 0 H ILE A 66 -4.987 2.064 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.115 -0.579 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.409 1.842 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.799 2.167 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.693 2.557 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.380 0.434 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.076 -0.431 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.413 -0.784 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.649 1.326 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.085 0.373 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.177 -0.023 -1.831 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.912 -0.439 -5.525 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.044 -0.410 -6.436 1.00 0.00 C ATOM 1027 C LYS A 67 -10.325 -0.126 -5.666 1.00 0.00 C ATOM 1028 O LYS A 67 -10.484 -0.581 -4.535 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.159 -1.736 -7.189 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.073 -1.668 -8.402 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.471 -0.812 -9.504 1.00 0.00 C ATOM 1032 CE LYS A 67 -10.000 0.613 -9.455 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.313 1.495 -10.439 1.00 0.00 N ATOM 0 H LYS A 67 -7.459 -1.349 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.887 0.386 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.166 -2.050 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.530 -2.501 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.254 -2.674 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.040 -1.259 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.385 -0.802 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.699 -1.253 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.071 0.610 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.866 1.016 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.916 2.321 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.547 0.967 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.996 1.815 -11.155 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.228 0.630 -6.285 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.499 0.990 -5.660 1.00 0.00 C ATOM 1049 C GLU A 68 -13.665 0.374 -6.426 1.00 0.00 C ATOM 1050 O GLU A 68 -13.696 0.402 -7.656 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.649 2.516 -5.638 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.285 3.151 -4.307 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.431 3.944 -3.710 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.583 3.468 -3.782 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -13.176 5.041 -3.171 1.00 0.00 O ATOM 0 H GLU A 68 -11.102 1.007 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.507 0.606 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.020 2.944 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.680 2.774 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.983 2.372 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.426 3.807 -4.444 1.00 0.00 H new ATOM 1062 N THR A 69 -14.625 -0.176 -5.692 1.00 0.00 N ATOM 1063 CA THR A 69 -15.795 -0.793 -6.303 1.00 0.00 C ATOM 1064 C THR A 69 -17.033 -0.534 -5.455 1.00 0.00 C ATOM 1065 O THR A 69 -17.345 -1.303 -4.548 1.00 0.00 O ATOM 1066 CB THR A 69 -15.581 -2.298 -6.470 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.586 -3.026 -5.786 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.240 -2.774 -5.957 1.00 0.00 C ATOM 0 H THR A 69 -14.616 -0.207 -4.673 1.00 0.00 H new ATOM 0 HA THR A 69 -15.943 -0.349 -7.288 1.00 0.00 H new ATOM 0 HB THR A 69 -15.624 -2.478 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.623 -2.734 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.154 -3.850 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.442 -2.268 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.156 -2.547 -4.894 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.727 0.560 -5.754 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.929 0.936 -5.020 1.00 0.00 C ATOM 1078 C ASN A 70 -19.691 -0.291 -4.528 1.00 0.00 C ATOM 1079 O ASN A 70 -20.754 -0.623 -5.052 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.839 1.793 -5.901 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.248 3.160 -6.187 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.297 4.058 -5.346 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -18.686 3.323 -7.378 1.00 0.00 N ATOM 0 H ASN A 70 -17.475 1.204 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.619 1.513 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.021 1.275 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.805 1.913 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -18.272 4.221 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -18.668 2.550 -8.044 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.148 -0.957 -3.513 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.788 -2.138 -2.952 1.00 0.00 C ATOM 1092 C ASP A 71 -20.468 -1.802 -1.630 1.00 0.00 C ATOM 1093 O ASP A 71 -20.867 -0.660 -1.402 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.767 -3.259 -2.756 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.412 -4.631 -2.736 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.280 -4.867 -1.869 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -19.050 -5.470 -3.588 1.00 0.00 O ATOM 0 H ASP A 71 -18.269 -0.698 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.548 -2.481 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.029 -3.219 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.231 -3.099 -1.821 1.00 0.00 H new ATOM 1102 N SER A 72 -20.604 -2.797 -0.762 1.00 0.00 N ATOM 1103 CA SER A 72 -21.244 -2.592 0.531 1.00 0.00 C ATOM 1104 C SER A 72 -20.543 -3.379 1.634 1.00 0.00 C ATOM 1105 O SER A 72 -21.096 -4.340 2.170 1.00 0.00 O ATOM 1106 CB SER A 72 -22.718 -2.996 0.461 1.00 0.00 C ATOM 1107 OG SER A 72 -22.995 -3.713 -0.729 1.00 0.00 O ATOM 0 H SER A 72 -20.281 -3.750 -0.929 1.00 0.00 H new ATOM 0 HA SER A 72 -21.169 -1.532 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.972 -3.609 1.326 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.345 -2.105 0.507 1.00 0.00 H new ATOM 0 HG SER A 72 -23.943 -3.961 -0.748 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.313 -2.978 1.991 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.628 -1.848 1.381 1.00 0.00 C ATOM 1115 C PRO A 73 -17.730 -2.275 0.225 1.00 0.00 C ATOM 1116 O PRO A 73 -17.649 -1.598 -0.799 1.00 0.00 O ATOM 1117 CB PRO A 73 -17.790 -1.328 2.543 1.00 0.00 C ATOM 1118 CG PRO A 73 -17.431 -2.552 3.330 1.00 0.00 C ATOM 1119 CD PRO A 73 -18.480 -3.602 3.030 1.00 0.00 C ATOM 0 HA PRO A 73 -19.311 -1.117 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.899 -0.810 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.352 -0.618 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.439 -2.910 3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.404 -2.329 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.029 -4.529 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.064 -3.849 3.917 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.057 -3.409 0.405 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.158 -3.949 -0.609 1.00 0.00 C ATOM 1129 C LYS A 74 -15.964 -2.973 -1.761 1.00 0.00 C ATOM 1130 O LYS A 74 -16.384 -3.234 -2.887 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.696 -5.282 -1.131 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.320 -6.149 -0.050 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.837 -6.053 -0.065 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.442 -6.984 -1.102 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.929 -6.907 -1.119 1.00 0.00 N ATOM 0 H LYS A 74 -17.119 -3.975 1.251 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.186 -4.111 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.440 -5.087 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.883 -5.833 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.019 -7.186 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.945 -5.842 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.228 -6.302 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.136 -5.026 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.054 -6.729 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.134 -8.009 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -21.309 -7.661 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.294 -7.025 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.224 -5.982 -1.490 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.315 -1.853 -1.473 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.056 -0.842 -2.489 1.00 0.00 C ATOM 1151 C ARG A 75 -13.604 -0.873 -2.937 1.00 0.00 C ATOM 1152 O ARG A 75 -13.310 -1.035 -4.120 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.371 0.552 -1.961 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.188 0.694 -0.461 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.930 1.906 0.079 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.371 1.803 -0.130 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.255 2.634 0.412 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.845 3.625 1.192 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.550 2.475 0.175 1.00 0.00 N ATOM 0 H ARG A 75 -14.959 -1.622 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.702 -1.069 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.730 1.275 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.400 0.804 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.548 -0.206 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.127 0.783 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.725 2.012 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.556 2.807 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.719 1.051 -0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.850 3.750 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.525 4.262 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.869 1.714 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.227 3.114 0.592 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.700 -0.676 -1.985 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.280 -0.638 -2.291 1.00 0.00 C ATOM 1175 C TYR A 76 -10.666 -2.030 -2.298 1.00 0.00 C ATOM 1176 O TYR A 76 -11.069 -2.903 -1.529 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.563 0.261 -1.294 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.367 1.486 -0.960 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.543 1.754 -1.642 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.964 2.365 0.029 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.299 2.862 -1.352 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.716 3.485 0.332 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.885 3.730 -0.362 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.639 4.843 -0.066 1.00 0.00 O ATOM 0 H TYR A 76 -12.926 -0.541 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.160 -0.230 -3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.360 -0.299 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.599 0.561 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.871 1.077 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.050 2.174 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.213 3.054 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.391 4.164 1.107 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.208 5.348 0.655 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.689 -2.222 -3.175 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.004 -3.508 -3.301 1.00 0.00 C ATOM 1196 C TYR A 77 -7.867 -3.434 -4.320 1.00 0.00 C ATOM 1197 O TYR A 77 -7.911 -2.637 -5.255 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.995 -4.594 -3.718 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.344 -4.562 -5.186 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.168 -3.567 -5.696 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.849 -5.521 -6.060 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.492 -3.527 -7.038 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.169 -5.486 -7.405 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.990 -4.488 -7.889 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.310 -4.453 -9.226 1.00 0.00 O ATOM 0 H TYR A 77 -9.350 -1.502 -3.813 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.579 -3.755 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.576 -5.570 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.908 -4.484 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.562 -2.812 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.206 -6.304 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.135 -2.747 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.778 -6.238 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.574 -4.835 -9.749 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.852 -4.278 -4.137 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.709 -4.310 -5.047 1.00 0.00 C ATOM 1217 C VAL A 78 -5.409 -5.726 -5.516 1.00 0.00 C ATOM 1218 O VAL A 78 -4.421 -6.326 -5.096 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.434 -3.759 -4.388 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.632 -2.321 -3.941 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.017 -4.643 -3.223 1.00 0.00 C ATOM 0 H VAL A 78 -6.798 -4.947 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.987 -3.683 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.632 -3.767 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.716 -1.954 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.875 -1.702 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.447 -2.273 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.113 -4.240 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.816 -4.670 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.822 -5.653 -3.584 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.252 -6.255 -6.390 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.050 -7.599 -6.908 1.00 0.00 C ATOM 1233 C ALA A 79 -7.368 -8.352 -7.035 1.00 0.00 C ATOM 1234 O ALA A 79 -7.395 -9.580 -6.964 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.100 -8.372 -6.001 1.00 0.00 C ATOM 0 H ALA A 79 -7.077 -5.778 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.614 -7.510 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.955 -9.377 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.140 -7.858 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.524 -8.435 -4.999 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.466 -7.621 -7.200 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.769 -8.263 -7.302 1.00 0.00 C ATOM 1243 C GLU A 80 -9.846 -9.359 -6.254 1.00 0.00 C ATOM 1244 O GLU A 80 -10.584 -10.334 -6.389 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.977 -8.848 -8.701 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.924 -7.809 -9.809 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.243 -8.393 -11.171 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.852 -9.482 -11.222 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.883 -7.762 -12.187 1.00 0.00 O ATOM 0 H GLU A 80 -8.480 -6.603 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.555 -7.527 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.214 -9.604 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.942 -9.354 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.630 -7.009 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.931 -7.360 -9.834 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.040 -9.180 -5.214 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.947 -10.129 -4.117 1.00 0.00 C ATOM 1258 C LYS A 81 -9.965 -9.836 -3.022 1.00 0.00 C ATOM 1259 O LYS A 81 -11.007 -10.484 -2.929 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.552 -10.058 -3.506 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.423 -10.322 -4.481 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.071 -10.062 -3.836 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.581 -11.275 -3.064 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.315 -10.951 -1.636 1.00 0.00 N ATOM 0 H LYS A 81 -8.431 -8.368 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.150 -11.120 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.412 -9.070 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.489 -10.781 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.472 -11.354 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.539 -9.685 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.344 -9.801 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.146 -9.207 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.325 -12.069 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.670 -11.656 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.131 -11.829 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.486 -10.327 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.143 -10.471 -1.229 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.631 -8.860 -2.183 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.482 -8.473 -1.069 1.00 0.00 C ATOM 1280 C TYR A 82 -10.776 -6.984 -1.101 1.00 0.00 C ATOM 1281 O TYR A 82 -9.899 -6.166 -0.825 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.804 -8.812 0.262 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.878 -10.004 0.204 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.891 -10.093 -0.765 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.987 -11.035 1.125 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.037 -11.173 -0.819 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.137 -12.122 1.080 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.163 -12.188 0.106 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.313 -13.269 0.057 1.00 0.00 O ATOM 0 H TYR A 82 -8.769 -8.320 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.417 -9.026 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.238 -7.944 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.574 -9.001 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.789 -9.301 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.749 -10.987 1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.274 -11.224 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.234 -12.917 1.804 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.535 -13.893 0.779 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.012 -6.632 -1.416 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.397 -5.235 -1.451 1.00 0.00 C ATOM 1301 C VAL A 83 -12.826 -4.778 -0.070 1.00 0.00 C ATOM 1302 O VAL A 83 -13.356 -5.562 0.716 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.526 -4.968 -2.458 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.563 -3.496 -2.831 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.350 -5.837 -3.695 1.00 0.00 C ATOM 0 H VAL A 83 -12.757 -7.288 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.524 -4.668 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.478 -5.226 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.368 -3.322 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.736 -2.898 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.612 -3.210 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.158 -5.636 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.394 -5.610 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.372 -6.888 -3.407 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.577 -3.514 0.232 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.927 -2.977 1.536 1.00 0.00 C ATOM 1317 C PHE A 84 -13.457 -1.555 1.425 1.00 0.00 C ATOM 1318 O PHE A 84 -13.458 -0.958 0.346 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.708 -3.019 2.461 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.001 -4.349 2.464 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.050 -4.648 1.501 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.289 -5.297 3.433 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.399 -5.870 1.503 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.642 -6.521 3.440 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.696 -6.808 2.474 1.00 0.00 C ATOM 0 H PHE A 84 -12.138 -2.846 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.720 -3.595 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.005 -2.243 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.024 -2.783 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.814 -3.919 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.026 -5.079 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.660 -6.090 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.876 -7.251 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.190 -7.762 2.478 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.911 -1.022 2.553 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.452 0.328 2.600 1.00 0.00 C ATOM 1337 C ASP A 85 -13.352 1.339 2.888 1.00 0.00 C ATOM 1338 O ASP A 85 -13.597 2.545 2.916 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.543 0.427 3.668 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.351 1.619 4.583 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.864 2.710 4.254 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -14.688 1.464 5.630 1.00 0.00 O ATOM 0 H ASP A 85 -13.914 -1.508 3.450 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.887 0.554 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.517 0.498 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.549 -0.486 4.263 1.00 0.00 H new ATOM 1347 N SER A 86 -12.138 0.843 3.101 1.00 0.00 N ATOM 1348 CA SER A 86 -11.009 1.715 3.385 1.00 0.00 C ATOM 1349 C SER A 86 -9.678 0.974 3.276 1.00 0.00 C ATOM 1350 O SER A 86 -9.563 -0.221 3.610 1.00 0.00 O ATOM 1351 CB SER A 86 -11.152 2.332 4.777 1.00 0.00 C ATOM 1352 OG SER A 86 -10.856 3.719 4.753 1.00 0.00 O ATOM 0 H SER A 86 -11.913 -0.152 3.082 1.00 0.00 H new ATOM 0 HA SER A 86 -11.011 2.507 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.167 2.180 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.483 1.826 5.473 1.00 0.00 H new ATOM 0 HG SER A 86 -10.412 3.973 5.589 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.668 1.697 2.813 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.343 1.137 2.661 1.00 0.00 C ATOM 1360 C ILE A 87 -6.866 0.518 3.966 1.00 0.00 C ATOM 1361 O ILE A 87 -6.273 -0.552 3.962 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.328 2.199 2.201 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.279 2.258 0.675 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.949 1.889 2.762 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.599 2.627 0.034 1.00 0.00 C ATOM 0 H ILE A 87 -8.747 2.676 2.537 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.409 0.364 1.895 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.646 3.171 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.524 2.984 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.959 1.288 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.241 2.648 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.992 1.886 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.624 0.910 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.484 2.648 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.354 1.889 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.912 3.610 0.385 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.122 1.174 5.109 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.702 0.647 6.404 1.00 0.00 C ATOM 1379 C PRO A 88 -7.180 -0.780 6.602 1.00 0.00 C ATOM 1380 O PRO A 88 -6.390 -1.663 6.938 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.350 1.586 7.427 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.320 2.423 6.657 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.827 2.453 5.237 1.00 0.00 C ATOM 0 HA PRO A 88 -5.617 0.611 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.857 1.021 8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.600 2.208 7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.324 2.001 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.376 3.430 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.649 2.534 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.164 3.300 5.057 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.461 -1.024 6.341 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.985 -2.375 6.446 1.00 0.00 C ATOM 1393 C LEU A 89 -8.409 -3.169 5.294 1.00 0.00 C ATOM 1394 O LEU A 89 -7.871 -4.267 5.475 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.516 -2.403 6.400 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.205 -1.049 6.537 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.544 -0.495 5.165 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.458 -1.174 7.389 1.00 0.00 C ATOM 0 H LEU A 89 -9.141 -0.317 6.061 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.698 -2.805 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.825 -2.854 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.874 -3.055 7.197 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.524 -0.357 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.036 0.472 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.629 -0.373 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.211 -1.185 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.937 -0.199 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.148 -1.877 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.189 -1.536 8.381 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.482 -2.572 4.102 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.924 -3.203 2.922 1.00 0.00 C ATOM 1412 C LEU A 90 -6.459 -3.534 3.186 1.00 0.00 C ATOM 1413 O LEU A 90 -5.956 -4.576 2.770 1.00 0.00 O ATOM 1414 CB LEU A 90 -8.062 -2.278 1.712 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.543 -2.855 0.394 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.314 -2.274 -0.780 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.055 -2.583 0.244 1.00 0.00 C ATOM 0 H LEU A 90 -8.918 -1.665 3.937 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.467 -4.123 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.114 -2.020 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.529 -1.350 1.920 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.695 -3.934 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.932 -2.695 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.371 -2.519 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.192 -1.191 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.702 -3.000 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.879 -1.507 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.515 -3.046 1.070 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.797 -2.642 3.923 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.404 -2.828 4.301 1.00 0.00 C ATOM 1431 C ILE A 91 -4.324 -3.789 5.470 1.00 0.00 C ATOM 1432 O ILE A 91 -3.520 -4.721 5.477 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.732 -1.500 4.711 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.786 -0.498 3.566 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.288 -1.746 5.123 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.142 -1.017 2.311 1.00 0.00 C ATOM 0 H ILE A 91 -6.211 -1.777 4.271 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.879 -3.224 3.432 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.276 -1.086 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.826 -0.245 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.289 0.423 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.826 -0.802 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.263 -2.434 5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.740 -2.179 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.210 -0.262 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.094 -1.244 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.655 -1.922 1.987 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.182 -3.554 6.457 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.233 -4.397 7.636 1.00 0.00 C ATOM 1450 C GLN A 92 -5.470 -5.839 7.228 1.00 0.00 C ATOM 1451 O GLN A 92 -4.959 -6.763 7.861 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.331 -3.921 8.588 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.927 -2.713 9.419 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.437 -2.669 9.699 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.008 -2.750 10.851 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.637 -2.542 8.645 1.00 0.00 N ATOM 0 H GLN A 92 -5.851 -2.784 6.460 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.279 -4.331 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.221 -3.674 8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.602 -4.738 9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.222 -1.803 8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.470 -2.729 10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.034 -2.478 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.626 -2.508 8.773 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.227 -6.034 6.150 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.488 -7.375 5.665 1.00 0.00 C ATOM 1467 C TYR A 93 -5.197 -7.974 5.119 1.00 0.00 C ATOM 1468 O TYR A 93 -4.876 -9.129 5.398 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.573 -7.364 4.594 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.095 -7.864 3.257 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.618 -9.160 3.107 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.115 -7.039 2.147 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.175 -9.616 1.884 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.678 -7.487 0.921 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.207 -8.778 0.793 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.761 -9.226 -0.429 1.00 0.00 O ATOM 0 H TYR A 93 -6.662 -5.288 5.607 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.847 -7.989 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.409 -7.980 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.951 -6.348 4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.594 -9.820 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.479 -6.027 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.805 -10.625 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.704 -6.831 0.063 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.521 -9.548 -0.957 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.434 -7.173 4.367 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.163 -7.644 3.833 1.00 0.00 C ATOM 1488 C HIS A 94 -2.123 -7.677 4.949 1.00 0.00 C ATOM 1489 O HIS A 94 -1.326 -8.609 5.048 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.653 -6.736 2.712 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.575 -6.586 1.542 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.765 -7.573 0.600 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.327 -5.537 1.142 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.591 -7.137 -0.333 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.949 -5.903 -0.026 1.00 0.00 N ATOM 0 H HIS A 94 -4.673 -6.213 4.121 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.322 -8.642 3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.457 -5.748 3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.700 -7.127 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.421 -4.587 1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.918 -7.694 -1.199 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.584 -5.317 -0.568 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.147 -6.642 5.789 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.217 -6.529 6.908 1.00 0.00 C ATOM 1506 C GLN A 95 -1.177 -7.829 7.703 1.00 0.00 C ATOM 1507 O GLN A 95 -0.104 -8.335 8.036 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.628 -5.373 7.829 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.630 -4.221 7.864 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.438 -3.579 6.512 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.465 -2.767 6.317 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.292 -3.942 5.569 1.00 0.00 N ATOM 0 H GLN A 95 -2.805 -5.867 5.713 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.223 -6.329 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.596 -4.991 7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.759 -5.757 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.974 -3.469 8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.330 -4.588 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.025 -4.620 5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.217 -3.544 4.633 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.356 -8.361 8.005 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.471 -9.600 8.762 1.00 0.00 C ATOM 1523 C TYR A 96 -2.489 -10.810 7.834 1.00 0.00 C ATOM 1524 O TYR A 96 -1.443 -11.277 7.386 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.742 -9.578 9.613 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.559 -8.910 10.957 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.295 -7.550 11.044 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.649 -9.639 12.135 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -3.126 -6.933 12.268 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.483 -9.029 13.365 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.221 -7.677 13.426 1.00 0.00 C ATOM 1532 OH TYR A 96 -3.055 -7.066 14.647 1.00 0.00 O ATOM 0 H TYR A 96 -3.250 -7.950 7.735 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.601 -9.682 9.414 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.528 -9.060 9.063 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.083 -10.602 9.769 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.221 -6.965 10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.852 -10.699 12.090 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.921 -5.874 12.318 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.558 -9.609 14.273 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.154 -7.730 15.361 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.687 -11.313 7.554 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.850 -12.470 6.680 1.00 0.00 C ATOM 1544 C ASN A 97 -2.590 -12.719 5.859 1.00 0.00 C ATOM 1545 O ASN A 97 -1.578 -13.189 6.382 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.047 -12.268 5.750 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.356 -12.686 6.392 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.727 -13.859 6.364 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.062 -11.724 6.975 1.00 0.00 N ATOM 0 H ASN A 97 -4.561 -10.937 7.921 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.028 -13.343 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.106 -11.219 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.894 -12.842 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.951 -11.944 7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.715 -10.765 6.974 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.659 -12.404 4.571 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.518 -12.602 3.696 1.00 0.00 C ATOM 1558 C GLY A 98 -1.863 -12.386 2.236 1.00 0.00 C ATOM 1559 O GLY A 98 -1.745 -13.302 1.422 1.00 0.00 O ATOM 0 H GLY A 98 -3.485 -12.015 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.721 -11.916 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.133 -13.613 3.829 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.290 -11.172 1.904 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.647 -10.863 0.533 1.00 0.00 C ATOM 1565 C GLY A 99 -1.488 -11.058 -0.428 1.00 0.00 C ATOM 1566 O GLY A 99 -0.419 -10.477 -0.244 1.00 0.00 O ATOM 0 H GLY A 99 -2.395 -10.398 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.479 -11.496 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.993 -9.831 0.475 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.703 -11.877 -1.453 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.660 -12.132 -2.431 1.00 0.00 C ATOM 1572 C GLY A 100 0.292 -10.962 -2.583 1.00 0.00 C ATOM 1573 O GLY A 100 1.474 -11.149 -2.873 1.00 0.00 O ATOM 0 H GLY A 100 -2.580 -12.369 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.098 -13.018 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.117 -12.352 -3.396 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.223 -9.753 -2.385 1.00 0.00 N ATOM 1578 CA LEU A 101 0.586 -8.545 -2.498 1.00 0.00 C ATOM 1579 C LEU A 101 2.061 -8.853 -2.263 1.00 0.00 C ATOM 1580 O LEU A 101 2.400 -9.768 -1.510 1.00 0.00 O ATOM 1581 CB LEU A 101 0.109 -7.499 -1.489 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.884 -6.473 -2.034 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.251 -7.108 -2.235 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.980 -5.281 -1.094 1.00 0.00 C ATOM 0 H LEU A 101 -1.200 -9.584 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 101 0.472 -8.152 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.352 -8.014 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.979 -6.969 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.525 -6.122 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.945 -6.363 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.169 -7.932 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.621 -7.486 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.691 -4.558 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.318 -5.617 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.000 -4.812 -0.999 1.00 0.00 H new ATOM 1596 N VAL A 102 2.937 -8.082 -2.905 1.00 0.00 N ATOM 1597 CA VAL A 102 4.376 -8.274 -2.756 1.00 0.00 C ATOM 1598 C VAL A 102 4.681 -9.119 -1.527 1.00 0.00 C ATOM 1599 O VAL A 102 5.459 -10.071 -1.588 1.00 0.00 O ATOM 1600 CB VAL A 102 5.114 -6.928 -2.627 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.488 -6.659 -1.176 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.350 -6.907 -3.517 1.00 0.00 C ATOM 0 H VAL A 102 2.675 -7.321 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 102 4.725 -8.786 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 102 4.443 -6.135 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.008 -5.704 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.584 -6.626 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.140 -7.455 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.858 -5.948 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.025 -7.710 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.053 -7.048 -4.556 1.00 0.00 H new ATOM 1612 N THR A 103 4.056 -8.760 -0.414 1.00 0.00 N ATOM 1613 CA THR A 103 4.245 -9.475 0.839 1.00 0.00 C ATOM 1614 C THR A 103 3.058 -9.242 1.764 1.00 0.00 C ATOM 1615 O THR A 103 3.225 -9.016 2.963 1.00 0.00 O ATOM 1616 CB THR A 103 5.537 -9.020 1.520 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.567 -7.609 1.642 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.787 -9.443 0.779 1.00 0.00 C ATOM 0 H THR A 103 3.410 -7.973 -0.354 1.00 0.00 H new ATOM 0 HA THR A 103 4.318 -10.541 0.622 1.00 0.00 H new ATOM 0 HB THR A 103 5.534 -9.503 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.666 -7.249 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.666 -9.088 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.819 -10.530 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.778 -9.016 -0.224 1.00 0.00 H new ATOM 1626 N ARG A 104 1.858 -9.288 1.195 1.00 0.00 N ATOM 1627 CA ARG A 104 0.640 -9.073 1.964 1.00 0.00 C ATOM 1628 C ARG A 104 0.872 -8.026 3.046 1.00 0.00 C ATOM 1629 O ARG A 104 0.657 -8.285 4.230 1.00 0.00 O ATOM 1630 CB ARG A 104 0.169 -10.385 2.596 1.00 0.00 C ATOM 1631 CG ARG A 104 1.183 -11.005 3.544 1.00 0.00 C ATOM 1632 CD ARG A 104 0.802 -10.772 4.998 1.00 0.00 C ATOM 1633 NE ARG A 104 1.959 -10.417 5.816 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.643 -11.294 6.542 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.287 -12.573 6.550 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.684 -10.895 7.260 1.00 0.00 N ATOM 0 H ARG A 104 1.704 -9.472 0.204 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.134 -8.712 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.759 -10.204 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.058 -11.099 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.254 -12.076 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.169 -10.581 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.059 -9.976 5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.336 -11.672 5.400 1.00 0.00 H new ATOM 0 HE ARG A 104 2.258 -9.442 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.487 -12.883 5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.813 -13.245 7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.961 -9.913 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.208 -11.570 7.817 1.00 0.00 H new ATOM 1650 N LEU A 105 1.320 -6.844 2.634 1.00 0.00 N ATOM 1651 CA LEU A 105 1.587 -5.766 3.575 1.00 0.00 C ATOM 1652 C LEU A 105 2.501 -6.264 4.688 1.00 0.00 C ATOM 1653 O LEU A 105 2.054 -6.544 5.800 1.00 0.00 O ATOM 1654 CB LEU A 105 0.279 -5.235 4.155 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.642 -4.551 3.145 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.150 -3.155 2.882 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.710 -5.317 1.841 1.00 0.00 C ATOM 0 H LEU A 105 1.505 -6.611 1.658 1.00 0.00 H new ATOM 0 HA LEU A 105 2.086 -4.952 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.261 -6.063 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.512 -4.527 4.950 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.645 -4.523 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.807 -2.667 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.148 -2.588 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.862 -3.196 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.374 -4.799 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.287 -5.383 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.092 -6.321 2.028 1.00 0.00 H new ATOM 1669 N ARG A 106 3.781 -6.395 4.363 1.00 0.00 N ATOM 1670 CA ARG A 106 4.773 -6.887 5.316 1.00 0.00 C ATOM 1671 C ARG A 106 5.125 -5.842 6.369 1.00 0.00 C ATOM 1672 O ARG A 106 5.343 -6.176 7.534 1.00 0.00 O ATOM 1673 CB ARG A 106 6.039 -7.319 4.576 1.00 0.00 C ATOM 1674 CG ARG A 106 7.266 -6.492 4.926 1.00 0.00 C ATOM 1675 CD ARG A 106 8.204 -7.251 5.851 1.00 0.00 C ATOM 1676 NE ARG A 106 9.081 -6.355 6.599 1.00 0.00 N ATOM 1677 CZ ARG A 106 9.855 -6.753 7.604 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.859 -8.025 7.977 1.00 0.00 N ATOM 1679 NH2 ARG A 106 10.627 -5.878 8.236 1.00 0.00 N ATOM 0 H ARG A 106 4.159 -6.167 3.444 1.00 0.00 H new ATOM 0 HA ARG A 106 4.334 -7.741 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.241 -8.366 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.862 -7.253 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.795 -6.220 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.956 -5.563 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.618 -7.850 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.808 -7.944 5.265 1.00 0.00 H new ATOM 0 HE ARG A 106 9.101 -5.370 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.268 -8.700 7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.454 -8.328 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.627 -4.899 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.220 -6.185 9.007 1.00 0.00 H new ATOM 1693 N TYR A 107 5.197 -4.581 5.959 1.00 0.00 N ATOM 1694 CA TYR A 107 5.544 -3.508 6.886 1.00 0.00 C ATOM 1695 C TYR A 107 5.172 -2.140 6.332 1.00 0.00 C ATOM 1696 O TYR A 107 5.933 -1.534 5.578 1.00 0.00 O ATOM 1697 CB TYR A 107 7.039 -3.535 7.192 1.00 0.00 C ATOM 1698 CG TYR A 107 7.416 -2.660 8.363 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.344 -3.147 9.659 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.835 -1.347 8.176 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.680 -2.355 10.737 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.172 -0.549 9.250 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.093 -1.056 10.528 1.00 0.00 C ATOM 1704 OH TYR A 107 8.429 -0.263 11.601 1.00 0.00 O ATOM 0 H TYR A 107 5.022 -4.277 5.001 1.00 0.00 H new ATOM 0 HA TYR A 107 4.974 -3.675 7.800 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.344 -4.561 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.591 -3.210 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.019 -4.163 9.827 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.898 -0.946 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.620 -2.750 11.740 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.496 0.469 9.089 1.00 0.00 H new ATOM 0 HH TYR A 107 8.700 0.623 11.281 1.00 0.00 H new ATOM 1714 N PRO A 108 3.992 -1.636 6.705 1.00 0.00 N ATOM 1715 CA PRO A 108 3.512 -0.332 6.256 1.00 0.00 C ATOM 1716 C PRO A 108 4.544 0.781 6.442 1.00 0.00 C ATOM 1717 O PRO A 108 4.820 1.201 7.565 1.00 0.00 O ATOM 1718 CB PRO A 108 2.291 -0.066 7.151 1.00 0.00 C ATOM 1719 CG PRO A 108 2.312 -1.126 8.200 1.00 0.00 C ATOM 1720 CD PRO A 108 3.021 -2.291 7.586 1.00 0.00 C ATOM 0 HA PRO A 108 3.291 -0.340 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.344 0.927 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.367 -0.107 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.829 -0.781 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.301 -1.398 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.508 -2.913 8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.339 -2.936 7.032 1.00 0.00 H new ATOM 1728 N VAL A 109 5.090 1.272 5.333 1.00 0.00 N ATOM 1729 CA VAL A 109 6.055 2.349 5.361 1.00 0.00 C ATOM 1730 C VAL A 109 5.336 3.669 5.168 1.00 0.00 C ATOM 1731 O VAL A 109 4.620 3.858 4.185 1.00 0.00 O ATOM 1732 CB VAL A 109 7.103 2.190 4.255 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.761 3.526 3.962 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.127 1.140 4.644 1.00 0.00 C ATOM 0 H VAL A 109 4.872 0.931 4.397 1.00 0.00 H new ATOM 0 HA VAL A 109 6.563 2.324 6.325 1.00 0.00 H new ATOM 0 HB VAL A 109 6.611 1.851 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.504 3.401 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.005 4.241 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.247 3.898 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.865 1.039 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.626 1.442 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.627 0.184 4.799 1.00 0.00 H new ATOM 1744 N CYS A 110 5.507 4.575 6.113 1.00 0.00 N ATOM 1745 CA CYS A 110 4.849 5.859 6.036 1.00 0.00 C ATOM 1746 C CYS A 110 5.861 6.987 6.150 1.00 0.00 C ATOM 1747 O CYS A 110 6.132 7.498 7.237 1.00 0.00 O ATOM 1748 CB CYS A 110 3.784 5.958 7.131 1.00 0.00 C ATOM 1749 SG CYS A 110 3.719 7.557 7.971 1.00 0.00 S ATOM 0 H CYS A 110 6.093 4.444 6.937 1.00 0.00 H new ATOM 0 HA CYS A 110 4.360 5.953 5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.808 5.753 6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.969 5.180 7.872 1.00 0.00 H new ATOM 0 HG CYS A 110 4.922 7.925 8.297 1.00 0.00 H new ATOM 1755 N GLY A 111 6.417 7.365 5.007 1.00 0.00 N ATOM 1756 CA GLY A 111 7.401 8.430 4.972 1.00 0.00 C ATOM 1757 C GLY A 111 6.882 9.718 5.579 1.00 0.00 C ATOM 1758 O GLY A 111 5.776 9.757 6.118 1.00 0.00 O ATOM 0 H GLY A 111 6.203 6.951 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.295 8.113 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.698 8.612 3.939 1.00 0.00 H new HETATM 1762 N NH2 A 112 7.676 10.781 5.501 1.00 0.00 N TER 1765 NH2 A 112