USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 SER OG : rot 180:sc= 0.988 USER MOD Set 1.2: A 94 ASN :FLIP amide:sc= 0.374 F(o=1.8,f=2.6) USER MOD Set 1.3: A 96 SER OG : rot -135:sc= 1.22 USER MOD Set 2.1: A 57 CYS SG : rot 155:sc= -2.25! USER MOD Set 2.2: A 60 CYS SG : rot -63:sc= -0.263 USER MOD Set 2.3: A 77 HIS : no HE2:sc= 0.135 K(o=-2.8,f=-4.3) USER MOD Set 2.4: A 86 HIS :FLIP no HE2:sc= -0.432 F(o=-4.1,f=-2.8) USER MOD Set 3.1: A 53 SER OG : rot -84:sc= 1.75 USER MOD Set 3.2: A 68 ASN : amide:sc= 1.33 K(o=3.1,f=-2!) USER MOD Set 4.1: A 31 CYS SG : rot -121:sc= -5.32! USER MOD Set 4.2: A 34 CYS SG : rot -22:sc= 0.437 USER MOD Set 4.3: A 65 CYS SG : rot -161:sc= 0.277 USER MOD Set 4.4: A 69 SER OG : rot -87:sc= 1.23 USER MOD Set 4.5: A 73 HIS : no HD1:sc= -6.25! C(o=-9.6!,f=-10!) USER MOD Set 5.1: A 16 GLN : amide:sc= 0 X(o=-3.4,f=-3.4) USER MOD Set 5.2: A 113 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.3!) USER MOD Set 6.1: A 7 CYS SG : rot 119:sc= 0.284 USER MOD Set 6.2: A 9 HIS : no HD1:sc= -0.307 X(o=-5.8,f=-6) USER MOD Set 6.3: A 87 CYS SG : rot 97:sc= -4.52! USER MOD Set 6.4: A 99 CYS SG : rot -141:sc= -1.88! USER MOD Set 6.5: A 102 CYS SG : rot 130:sc= 0.662 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.56) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0916 (180deg=-0.397) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -0.29 (180deg=-1.73) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.11 F(o=-0.67,f=-0.11) USER MOD Single : A 32 GLN : amide:sc= 0.252 K(o=0.25,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 1.19 (180deg=0.748) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.17) USER MOD Single : A 62 HIS : no HE2:sc= -0.908 K(o=-0.91,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -0.261! C(o=-0.26!,f=-10!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0233 F(o=-0.73,f=-0.023) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.15 F(o=-4.8!,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 51:sc= 0.447 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -6.39! C(o=-6.4!,f=-6.6!) USER MOD Single : A 107 GLN : amide:sc= 0.563 K(o=0.56,f=-0.33) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.705 F(o=-2.8!,f=-0.7) USER MOD Single : A 120 TYR OH : rot 30:sc= -2.2! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.0409 K(o=0.041,f=-0.85) USER MOD Single : A 126 SER OG : rot 36:sc= 0.223 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 5.130 -17.839 -3.550 1.00 0.00 N ATOM 32 CA CYS A 7 4.468 -17.333 -2.421 1.00 0.00 C ATOM 33 C CYS A 7 3.222 -18.153 -2.144 1.00 0.00 C ATOM 34 O CYS A 7 2.324 -18.232 -2.954 1.00 0.00 O ATOM 35 CB CYS A 7 4.140 -15.859 -2.566 1.00 0.00 C ATOM 36 SG CYS A 7 3.350 -15.160 -1.103 1.00 0.00 S ATOM 0 HA CYS A 7 5.141 -17.417 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.057 -15.308 -2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.484 -15.722 -3.426 1.00 0.00 H new ATOM 0 HG CYS A 7 4.096 -14.212 -0.618 1.00 0.00 H new ATOM 41 N ARG A 8 3.197 -18.752 -0.994 1.00 0.00 N ATOM 42 CA ARG A 8 2.092 -19.561 -0.554 1.00 0.00 C ATOM 43 C ARG A 8 1.346 -18.823 0.536 1.00 0.00 C ATOM 44 O ARG A 8 0.701 -19.416 1.400 1.00 0.00 O ATOM 45 CB ARG A 8 2.632 -20.888 -0.018 1.00 0.00 C ATOM 46 CG ARG A 8 2.092 -22.097 -0.773 1.00 0.00 C ATOM 47 CD ARG A 8 0.590 -22.243 -0.579 1.00 0.00 C ATOM 48 NE ARG A 8 0.011 -23.312 -1.409 1.00 0.00 N ATOM 49 CZ ARG A 8 -0.929 -24.175 -0.998 1.00 0.00 C ATOM 50 NH1 ARG A 8 -1.179 -24.326 0.301 1.00 0.00 N ATOM 51 NH2 ARG A 8 -1.571 -24.932 -1.885 1.00 0.00 N ATOM 0 H ARG A 8 3.958 -18.694 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 8 1.412 -19.759 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.720 -20.883 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.374 -20.980 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.316 -21.995 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.595 -23.000 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.382 -22.451 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.103 -21.298 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 8 0.350 -23.403 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.655 -23.784 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.895 -24.984 0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.348 -24.855 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.286 -25.589 -1.572 1.00 0.00 H new ATOM 65 N HIS A 9 1.418 -17.512 0.468 1.00 0.00 N ATOM 66 CA HIS A 9 0.796 -16.647 1.459 1.00 0.00 C ATOM 67 C HIS A 9 -0.198 -15.759 0.782 1.00 0.00 C ATOM 68 O HIS A 9 -0.670 -14.822 1.383 1.00 0.00 O ATOM 69 CB HIS A 9 1.828 -15.702 2.109 1.00 0.00 C ATOM 70 CG HIS A 9 3.009 -16.348 2.732 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.270 -16.097 2.258 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.081 -17.178 3.800 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.081 -16.777 3.049 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.404 -17.444 3.994 1.00 0.00 N ATOM 0 H HIS A 9 1.908 -17.011 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 9 0.341 -17.292 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.181 -15.005 1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.319 -15.112 2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.254 -17.555 4.383 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.156 -16.793 2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.803 -18.038 4.721 1.00 0.00 H new ATOM 82 N ILE A 10 -0.525 -16.053 -0.457 1.00 0.00 N ATOM 83 CA ILE A 10 -1.362 -15.158 -1.232 1.00 0.00 C ATOM 84 C ILE A 10 -2.749 -15.136 -0.656 1.00 0.00 C ATOM 85 O ILE A 10 -3.293 -14.114 -0.386 1.00 0.00 O ATOM 86 CB ILE A 10 -1.403 -15.539 -2.704 1.00 0.00 C ATOM 87 CG1 ILE A 10 0.020 -15.778 -3.169 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.078 -14.437 -3.507 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.183 -15.987 -4.657 1.00 0.00 C ATOM 0 H ILE A 10 -0.228 -16.896 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.926 -14.161 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.984 -16.449 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.631 -14.927 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.413 -16.652 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.103 -14.717 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.096 -14.294 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.519 -13.508 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.236 -16.150 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.395 -16.857 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.174 -15.105 -5.189 1.00 0.00 H new ATOM 101 N ARG A 11 -3.267 -16.289 -0.418 1.00 0.00 N ATOM 102 CA ARG A 11 -4.603 -16.431 0.192 1.00 0.00 C ATOM 103 C ARG A 11 -4.658 -15.816 1.597 1.00 0.00 C ATOM 104 O ARG A 11 -5.723 -15.453 2.094 1.00 0.00 O ATOM 105 CB ARG A 11 -4.992 -17.870 0.270 1.00 0.00 C ATOM 106 CG ARG A 11 -5.190 -18.536 -1.077 1.00 0.00 C ATOM 107 CD ARG A 11 -5.526 -20.006 -0.917 1.00 0.00 C ATOM 108 NE ARG A 11 -6.728 -20.222 -0.107 1.00 0.00 N ATOM 109 CZ ARG A 11 -6.957 -21.297 0.664 1.00 0.00 C ATOM 110 NH1 ARG A 11 -6.075 -22.297 0.708 1.00 0.00 N ATOM 111 NH2 ARG A 11 -8.078 -21.374 1.371 1.00 0.00 N ATOM 0 H ARG A 11 -2.805 -17.174 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.304 -15.893 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.224 -18.413 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.915 -17.954 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.991 -18.034 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.285 -18.430 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.670 -20.452 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.683 -20.520 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.447 -19.499 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.220 -22.248 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.255 -23.111 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.762 -20.618 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.256 -22.189 1.958 1.00 0.00 H new ATOM 125 N LYS A 12 -3.527 -15.729 2.238 1.00 0.00 N ATOM 126 CA LYS A 12 -3.453 -15.120 3.550 1.00 0.00 C ATOM 127 C LYS A 12 -3.314 -13.608 3.423 1.00 0.00 C ATOM 128 O LYS A 12 -3.862 -12.857 4.214 1.00 0.00 O ATOM 129 CB LYS A 12 -2.247 -15.625 4.323 1.00 0.00 C ATOM 130 CG LYS A 12 -2.131 -17.116 4.503 1.00 0.00 C ATOM 131 CD LYS A 12 -0.943 -17.406 5.397 1.00 0.00 C ATOM 132 CE LYS A 12 -0.670 -18.880 5.536 1.00 0.00 C ATOM 133 NZ LYS A 12 0.407 -19.123 6.517 1.00 0.00 N ATOM 0 H LYS A 12 -2.636 -16.071 1.878 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.370 -15.383 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.348 -15.273 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.259 -15.164 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.043 -17.515 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.005 -17.605 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.059 -16.913 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.122 -16.979 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.578 -19.395 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.387 -19.295 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.579 -20.146 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.277 -18.649 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.124 -18.746 7.444 1.00 0.00 H new ATOM 147 N GLY A 13 -2.623 -13.196 2.396 1.00 0.00 N ATOM 148 CA GLY A 13 -2.232 -11.810 2.202 1.00 0.00 C ATOM 149 C GLY A 13 -3.078 -11.072 1.226 1.00 0.00 C ATOM 150 O GLY A 13 -2.823 -9.924 0.942 1.00 0.00 O ATOM 0 H GLY A 13 -2.306 -13.818 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.270 -11.295 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.196 -11.780 1.865 1.00 0.00 H new ATOM 154 N LEU A 14 -4.043 -11.728 0.697 1.00 0.00 N ATOM 155 CA LEU A 14 -4.929 -11.157 -0.248 1.00 0.00 C ATOM 156 C LEU A 14 -6.321 -11.527 0.196 1.00 0.00 C ATOM 157 O LEU A 14 -6.629 -12.718 0.349 1.00 0.00 O ATOM 158 CB LEU A 14 -4.577 -11.744 -1.615 1.00 0.00 C ATOM 159 CG LEU A 14 -5.131 -11.102 -2.862 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.402 -11.648 -4.046 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.596 -11.363 -3.030 1.00 0.00 C ATOM 0 H LEU A 14 -4.244 -12.704 0.915 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.858 -10.072 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.490 -11.742 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.895 -12.787 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.994 -10.024 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.793 -11.192 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.339 -11.423 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.541 -12.728 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.949 -10.881 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.769 -12.437 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.138 -10.961 -2.174 1.00 0.00 H new ATOM 173 N GLU A 15 -7.144 -10.543 0.449 1.00 0.00 N ATOM 174 CA GLU A 15 -8.464 -10.813 0.952 1.00 0.00 C ATOM 175 C GLU A 15 -9.480 -10.156 0.004 1.00 0.00 C ATOM 176 O GLU A 15 -9.879 -9.028 0.238 1.00 0.00 O ATOM 177 CB GLU A 15 -8.551 -10.198 2.329 1.00 0.00 C ATOM 178 CG GLU A 15 -9.496 -10.841 3.305 1.00 0.00 C ATOM 179 CD GLU A 15 -10.837 -11.273 2.737 1.00 0.00 C ATOM 180 OE1 GLU A 15 -10.905 -12.305 2.056 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.841 -10.609 3.004 1.00 0.00 O ATOM 0 H GLU A 15 -6.926 -9.556 0.316 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.672 -11.881 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.553 -10.207 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.840 -9.153 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.006 -11.715 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.676 -10.142 4.122 1.00 0.00 H new ATOM 188 N GLN A 16 -9.909 -10.870 -1.033 1.00 0.00 N ATOM 189 CA GLN A 16 -10.710 -10.274 -2.127 1.00 0.00 C ATOM 190 C GLN A 16 -11.939 -9.489 -1.661 1.00 0.00 C ATOM 191 O GLN A 16 -12.190 -8.395 -2.143 1.00 0.00 O ATOM 192 CB GLN A 16 -11.166 -11.312 -3.142 1.00 0.00 C ATOM 193 CG GLN A 16 -10.061 -12.164 -3.743 1.00 0.00 C ATOM 194 CD GLN A 16 -10.568 -13.084 -4.845 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.966 -14.219 -4.596 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.562 -12.604 -6.068 1.00 0.00 N ATOM 0 H GLN A 16 -9.721 -11.866 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.019 -9.570 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.890 -11.971 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.688 -10.800 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.284 -11.514 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.600 -12.763 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.225 -11.657 -6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.894 -13.178 -6.843 1.00 0.00 H new ATOM 205 N GLY A 17 -12.661 -10.027 -0.691 1.00 0.00 N ATOM 206 CA GLY A 17 -13.903 -9.402 -0.249 1.00 0.00 C ATOM 207 C GLY A 17 -13.652 -8.138 0.529 1.00 0.00 C ATOM 208 O GLY A 17 -14.369 -7.150 0.389 1.00 0.00 O ATOM 0 H GLY A 17 -12.415 -10.885 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.524 -9.177 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.462 -10.104 0.370 1.00 0.00 H new ATOM 212 N ASN A 18 -12.598 -8.167 1.293 1.00 0.00 N ATOM 213 CA ASN A 18 -12.178 -7.068 2.151 1.00 0.00 C ATOM 214 C ASN A 18 -11.678 -5.926 1.270 1.00 0.00 C ATOM 215 O ASN A 18 -11.915 -4.740 1.547 1.00 0.00 O ATOM 216 CB ASN A 18 -11.041 -7.606 2.996 1.00 0.00 C ATOM 217 CG ASN A 18 -10.572 -6.751 4.129 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.320 -5.976 4.719 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.321 -6.898 4.447 1.00 0.00 N ATOM 0 H ASN A 18 -11.980 -8.977 1.346 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.989 -6.696 2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.349 -8.569 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.191 -7.794 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.923 -6.357 5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.737 -7.554 3.929 1.00 0.00 H new ATOM 226 N LEU A 19 -11.032 -6.327 0.184 1.00 0.00 N ATOM 227 CA LEU A 19 -10.476 -5.440 -0.836 1.00 0.00 C ATOM 228 C LEU A 19 -11.525 -4.591 -1.463 1.00 0.00 C ATOM 229 O LEU A 19 -11.385 -3.378 -1.498 1.00 0.00 O ATOM 230 CB LEU A 19 -9.797 -6.255 -1.935 1.00 0.00 C ATOM 231 CG LEU A 19 -8.358 -6.720 -1.714 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.413 -5.776 -2.369 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.000 -6.809 -0.260 1.00 0.00 C ATOM 0 H LEU A 19 -10.873 -7.314 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.752 -4.796 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.407 -7.140 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.817 -5.661 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.281 -7.716 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.390 -6.114 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.618 -5.740 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.538 -4.781 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.968 -7.144 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.110 -5.828 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.662 -7.520 0.235 1.00 0.00 H new ATOM 245 N LYS A 20 -12.610 -5.223 -1.909 1.00 0.00 N ATOM 246 CA LYS A 20 -13.693 -4.535 -2.634 1.00 0.00 C ATOM 247 C LYS A 20 -14.180 -3.340 -1.806 1.00 0.00 C ATOM 248 O LYS A 20 -14.312 -2.224 -2.323 1.00 0.00 O ATOM 249 CB LYS A 20 -14.885 -5.482 -2.870 1.00 0.00 C ATOM 250 CG LYS A 20 -14.543 -6.897 -3.356 1.00 0.00 C ATOM 251 CD LYS A 20 -13.958 -6.951 -4.731 1.00 0.00 C ATOM 252 CE LYS A 20 -14.988 -6.628 -5.789 1.00 0.00 C ATOM 253 NZ LYS A 20 -16.111 -7.596 -5.810 1.00 0.00 N ATOM 0 H LYS A 20 -12.769 -6.223 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.303 -4.204 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.445 -5.566 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.549 -5.020 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.839 -7.349 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.448 -7.504 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.130 -6.246 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.548 -7.944 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.381 -5.626 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.507 -6.615 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.605 -7.534 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.741 -8.559 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.775 -7.374 -5.041 1.00 0.00 H new ATOM 267 N LYS A 21 -14.291 -3.560 -0.509 1.00 0.00 N ATOM 268 CA LYS A 21 -14.858 -2.587 0.412 1.00 0.00 C ATOM 269 C LYS A 21 -13.900 -1.429 0.597 1.00 0.00 C ATOM 270 O LYS A 21 -14.311 -0.265 0.662 1.00 0.00 O ATOM 271 CB LYS A 21 -15.081 -3.250 1.742 1.00 0.00 C ATOM 272 CG LYS A 21 -15.919 -4.500 1.672 1.00 0.00 C ATOM 273 CD LYS A 21 -15.743 -5.391 2.898 1.00 0.00 C ATOM 274 CE LYS A 21 -16.247 -4.771 4.210 1.00 0.00 C ATOM 275 NZ LYS A 21 -15.355 -3.729 4.785 1.00 0.00 N ATOM 0 H LYS A 21 -13.989 -4.424 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.800 -2.215 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.114 -3.498 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.562 -2.540 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.969 -4.225 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.653 -5.062 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.270 -6.330 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.686 -5.633 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.230 -4.333 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.377 -5.565 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.304 -3.847 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.403 -3.824 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.734 -2.786 4.562 1.00 0.00 H new ATOM 289 N ALA A 22 -12.632 -1.744 0.632 1.00 0.00 N ATOM 290 CA ALA A 22 -11.624 -0.767 0.886 1.00 0.00 C ATOM 291 C ALA A 22 -11.430 0.117 -0.322 1.00 0.00 C ATOM 292 O ALA A 22 -11.349 1.336 -0.209 1.00 0.00 O ATOM 293 CB ALA A 22 -10.330 -1.460 1.247 1.00 0.00 C ATOM 0 H ALA A 22 -12.276 -2.688 0.484 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.937 -0.138 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.560 -0.714 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.479 -2.068 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.017 -2.099 0.421 1.00 0.00 H new ATOM 299 N LEU A 23 -11.455 -0.488 -1.494 1.00 0.00 N ATOM 300 CA LEU A 23 -11.159 0.222 -2.716 1.00 0.00 C ATOM 301 C LEU A 23 -12.340 1.091 -3.140 1.00 0.00 C ATOM 302 O LEU A 23 -12.227 1.907 -4.056 1.00 0.00 O ATOM 303 CB LEU A 23 -10.756 -0.734 -3.840 1.00 0.00 C ATOM 304 CG LEU A 23 -9.806 -1.889 -3.459 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.353 -2.649 -4.661 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.617 -1.477 -2.576 1.00 0.00 C ATOM 0 H LEU A 23 -11.679 -1.475 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.308 0.873 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.664 -1.165 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.283 -0.151 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.408 -2.551 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.686 -3.454 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.218 -3.071 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.823 -1.978 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.005 -2.352 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.015 -0.734 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.987 -1.052 -1.643 1.00 0.00 H new ATOM 318 N VAL A 24 -13.468 0.913 -2.463 1.00 0.00 N ATOM 319 CA VAL A 24 -14.666 1.737 -2.705 1.00 0.00 C ATOM 320 C VAL A 24 -14.359 3.214 -2.462 1.00 0.00 C ATOM 321 O VAL A 24 -14.403 4.032 -3.377 1.00 0.00 O ATOM 322 CB VAL A 24 -15.884 1.338 -1.802 1.00 0.00 C ATOM 323 CG1 VAL A 24 -17.038 2.309 -1.983 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.367 -0.046 -2.122 1.00 0.00 C ATOM 0 H VAL A 24 -13.587 0.205 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.940 1.560 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.537 1.371 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.869 2.009 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.715 3.313 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.359 2.303 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.212 -0.294 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.679 -0.090 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.561 -0.761 -1.954 1.00 0.00 H new ATOM 334 N ASN A 25 -13.985 3.536 -1.247 1.00 0.00 N ATOM 335 CA ASN A 25 -13.775 4.932 -0.863 1.00 0.00 C ATOM 336 C ASN A 25 -12.315 5.253 -0.837 1.00 0.00 C ATOM 337 O ASN A 25 -11.895 6.263 -0.271 1.00 0.00 O ATOM 338 CB ASN A 25 -14.385 5.233 0.515 1.00 0.00 C ATOM 339 CG ASN A 25 -15.872 4.969 0.579 1.00 0.00 C ATOM 340 OD1 ASN A 25 -16.680 5.808 0.195 1.00 0.00 O ATOM 341 ND2 ASN A 25 -16.248 3.839 1.117 1.00 0.00 N ATOM 0 H ASN A 25 -13.817 2.861 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.273 5.553 -1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.882 4.626 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.197 6.276 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.241 3.633 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.549 3.163 1.425 1.00 0.00 H new ATOM 348 N VAL A 26 -11.538 4.409 -1.453 1.00 0.00 N ATOM 349 CA VAL A 26 -10.148 4.571 -1.459 1.00 0.00 C ATOM 350 C VAL A 26 -9.723 5.638 -2.444 1.00 0.00 C ATOM 351 O VAL A 26 -10.436 5.975 -3.408 1.00 0.00 O ATOM 352 CB VAL A 26 -9.458 3.233 -1.788 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.142 3.019 -3.232 1.00 0.00 C ATOM 354 CG2 VAL A 26 -8.295 2.995 -0.943 1.00 0.00 C ATOM 0 H VAL A 26 -11.872 3.591 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.842 4.894 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.211 2.480 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.659 2.050 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.063 3.044 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.473 3.806 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.840 2.041 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.570 3.796 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.604 2.970 0.102 1.00 0.00 H new ATOM 364 N GLU A 27 -8.612 6.158 -2.170 1.00 0.00 N ATOM 365 CA GLU A 27 -7.928 7.059 -2.987 1.00 0.00 C ATOM 366 C GLU A 27 -6.882 6.269 -3.650 1.00 0.00 C ATOM 367 O GLU A 27 -6.464 5.291 -3.131 1.00 0.00 O ATOM 368 CB GLU A 27 -7.297 8.208 -2.195 1.00 0.00 C ATOM 369 CG GLU A 27 -6.586 7.831 -0.902 1.00 0.00 C ATOM 370 CD GLU A 27 -7.524 7.347 0.176 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.253 8.157 0.732 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.577 6.152 0.433 1.00 0.00 O ATOM 0 H GLU A 27 -8.114 5.953 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.614 7.528 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.582 8.716 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.079 8.928 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.853 7.052 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.035 8.696 -0.533 1.00 0.00 H new ATOM 379 N TRP A 28 -6.567 6.590 -4.795 1.00 0.00 N ATOM 380 CA TRP A 28 -5.541 5.899 -5.483 1.00 0.00 C ATOM 381 C TRP A 28 -4.279 6.640 -5.619 1.00 0.00 C ATOM 382 O TRP A 28 -4.272 7.838 -5.938 1.00 0.00 O ATOM 383 CB TRP A 28 -6.039 5.356 -6.756 1.00 0.00 C ATOM 384 CG TRP A 28 -6.793 4.133 -6.519 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.094 3.933 -6.693 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.259 2.935 -6.010 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.421 2.659 -6.358 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.296 2.024 -5.939 1.00 0.00 C ATOM 389 CE3 TRP A 28 -4.986 2.548 -5.623 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.112 0.749 -5.505 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.801 1.273 -5.178 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.864 0.387 -5.129 1.00 0.00 C ATOM 0 H TRP A 28 -7.001 7.349 -5.321 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.265 5.058 -4.846 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.672 6.092 -7.251 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.203 5.153 -7.425 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.791 4.677 -7.050 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.353 2.248 -6.412 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.159 3.241 -5.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.934 0.049 -5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.820 0.952 -4.862 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.692 -0.621 -4.781 1.00 0.00 H new ATOM 403 N ASN A 29 -3.209 5.914 -5.309 1.00 0.00 N ATOM 404 CA ASN A 29 -1.831 6.356 -5.406 1.00 0.00 C ATOM 405 C ASN A 29 -1.543 7.384 -4.337 1.00 0.00 C ATOM 406 O ASN A 29 -0.540 8.082 -4.369 1.00 0.00 O ATOM 407 CB ASN A 29 -1.523 6.855 -6.813 1.00 0.00 C ATOM 408 CG ASN A 29 -0.210 6.333 -7.400 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.760 6.035 -6.580 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 -0.091 6.188 -8.606 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.289 4.956 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.163 5.513 -5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.341 6.567 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.492 7.944 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.864 6.428 -9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.781 5.827 -8.993 1.00 0.00 H new ATOM 417 N ILE A 30 -2.401 7.395 -3.354 1.00 0.00 N ATOM 418 CA ILE A 30 -2.292 8.258 -2.232 1.00 0.00 C ATOM 419 C ILE A 30 -2.185 7.385 -1.032 1.00 0.00 C ATOM 420 O ILE A 30 -3.137 6.673 -0.710 1.00 0.00 O ATOM 421 CB ILE A 30 -3.555 9.155 -2.016 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.812 10.114 -3.182 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.470 9.926 -0.687 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.988 11.046 -2.933 1.00 0.00 C ATOM 0 H ILE A 30 -3.216 6.782 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.436 8.913 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.407 8.476 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.916 10.708 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.998 9.536 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.362 10.541 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.401 9.219 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.587 10.565 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.121 11.702 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.893 10.458 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.794 11.648 -2.045 1.00 0.00 H new ATOM 436 N CYS A 31 -1.031 7.337 -0.439 1.00 0.00 N ATOM 437 CA CYS A 31 -0.905 6.705 0.841 1.00 0.00 C ATOM 438 C CYS A 31 -1.860 7.379 1.817 1.00 0.00 C ATOM 439 O CYS A 31 -1.647 8.505 2.242 1.00 0.00 O ATOM 440 CB CYS A 31 0.548 6.704 1.348 1.00 0.00 C ATOM 441 SG CYS A 31 0.775 6.324 3.084 1.00 0.00 S ATOM 0 H CYS A 31 -0.167 7.725 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.178 5.654 0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.116 5.982 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.981 7.685 1.152 1.00 0.00 H new ATOM 0 HG CYS A 31 1.382 7.313 3.669 1.00 0.00 H new ATOM 446 N GLN A 32 -2.934 6.683 2.105 1.00 0.00 N ATOM 447 CA GLN A 32 -4.014 7.143 3.009 1.00 0.00 C ATOM 448 C GLN A 32 -3.412 7.461 4.344 1.00 0.00 C ATOM 449 O GLN A 32 -3.792 8.413 5.010 1.00 0.00 O ATOM 450 CB GLN A 32 -5.015 6.018 3.256 1.00 0.00 C ATOM 451 CG GLN A 32 -5.067 4.974 2.199 1.00 0.00 C ATOM 452 CD GLN A 32 -6.067 3.939 2.557 1.00 0.00 C ATOM 453 OE1 GLN A 32 -5.745 2.938 3.210 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.265 4.155 2.158 1.00 0.00 N ATOM 0 H GLN A 32 -3.105 5.755 1.718 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.503 8.004 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.773 5.540 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.008 6.454 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.327 5.426 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.085 4.517 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.480 4.996 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.004 3.486 2.376 1.00 0.00 H new ATOM 463 N ASP A 33 -2.422 6.682 4.697 1.00 0.00 N ATOM 464 CA ASP A 33 -1.786 6.813 5.974 1.00 0.00 C ATOM 465 C ASP A 33 -0.973 8.113 6.036 1.00 0.00 C ATOM 466 O ASP A 33 -0.614 8.548 7.096 1.00 0.00 O ATOM 467 CB ASP A 33 -0.942 5.575 6.296 1.00 0.00 C ATOM 468 CG ASP A 33 -0.657 5.411 7.787 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.556 5.684 8.614 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.441 4.973 8.151 1.00 0.00 O ATOM 0 H ASP A 33 -2.038 5.943 4.107 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.553 6.876 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.458 4.687 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.003 5.638 5.757 1.00 0.00 H new ATOM 475 N CYS A 34 -0.710 8.747 4.857 1.00 0.00 N ATOM 476 CA CYS A 34 -0.096 10.027 4.791 1.00 0.00 C ATOM 477 C CYS A 34 -1.107 11.107 5.045 1.00 0.00 C ATOM 478 O CYS A 34 -0.856 12.046 5.777 1.00 0.00 O ATOM 479 CB CYS A 34 0.488 10.266 3.412 1.00 0.00 C ATOM 480 SG CYS A 34 2.177 9.740 3.083 1.00 0.00 S ATOM 0 H CYS A 34 -0.934 8.350 3.945 1.00 0.00 H new ATOM 0 HA CYS A 34 0.689 10.053 5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.159 9.769 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.430 11.336 3.210 1.00 0.00 H new ATOM 0 HG CYS A 34 2.825 9.635 4.205 1.00 0.00 H new ATOM 485 N LYS A 35 -2.268 10.932 4.479 1.00 0.00 N ATOM 486 CA LYS A 35 -3.257 11.975 4.476 1.00 0.00 C ATOM 487 C LYS A 35 -3.882 12.154 5.833 1.00 0.00 C ATOM 488 O LYS A 35 -4.195 13.271 6.256 1.00 0.00 O ATOM 489 CB LYS A 35 -4.318 11.735 3.426 1.00 0.00 C ATOM 490 CG LYS A 35 -5.303 10.662 3.716 1.00 0.00 C ATOM 491 CD LYS A 35 -6.382 10.674 2.693 1.00 0.00 C ATOM 492 CE LYS A 35 -7.591 9.952 3.218 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.782 10.102 2.356 1.00 0.00 N ATOM 0 H LYS A 35 -2.555 10.072 4.011 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.739 12.900 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.863 12.666 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.821 11.497 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.806 9.692 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.730 10.807 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.643 11.701 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.032 10.198 1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.357 8.892 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.824 10.325 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.619 10.277 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.642 10.903 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.924 9.231 1.805 1.00 0.00 H new ATOM 762 N PRO A 52 7.626 8.867 -3.767 1.00 0.00 N ATOM 763 CA PRO A 52 7.603 7.612 -3.078 1.00 0.00 C ATOM 764 C PRO A 52 6.613 6.663 -3.709 1.00 0.00 C ATOM 765 O PRO A 52 5.517 7.071 -4.139 1.00 0.00 O ATOM 766 CB PRO A 52 7.203 8.026 -1.664 1.00 0.00 C ATOM 767 CG PRO A 52 6.310 9.180 -1.880 1.00 0.00 C ATOM 768 CD PRO A 52 6.966 9.937 -2.983 1.00 0.00 C ATOM 0 HA PRO A 52 8.547 7.068 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.694 7.218 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.072 8.298 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.305 8.862 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.216 9.787 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.241 10.489 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.685 10.663 -2.604 1.00 0.00 H new ATOM 776 N SER A 53 7.011 5.430 -3.821 1.00 0.00 N ATOM 777 CA SER A 53 6.177 4.433 -4.361 1.00 0.00 C ATOM 778 C SER A 53 5.019 4.180 -3.406 1.00 0.00 C ATOM 779 O SER A 53 5.171 4.298 -2.185 1.00 0.00 O ATOM 780 CB SER A 53 7.008 3.181 -4.618 1.00 0.00 C ATOM 781 OG SER A 53 7.812 2.857 -3.484 1.00 0.00 O ATOM 0 H SER A 53 7.932 5.100 -3.534 1.00 0.00 H new ATOM 0 HA SER A 53 5.751 4.749 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.349 2.345 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.646 3.336 -5.488 1.00 0.00 H new ATOM 0 HG SER A 53 8.642 3.377 -3.512 1.00 0.00 H new ATOM 787 N VAL A 54 3.883 3.897 -3.944 1.00 0.00 N ATOM 788 CA VAL A 54 2.731 3.671 -3.130 1.00 0.00 C ATOM 789 C VAL A 54 2.357 2.228 -3.237 1.00 0.00 C ATOM 790 O VAL A 54 2.123 1.704 -4.327 1.00 0.00 O ATOM 791 CB VAL A 54 1.570 4.618 -3.498 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.374 4.373 -2.609 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.032 6.059 -3.352 1.00 0.00 C ATOM 0 H VAL A 54 3.723 3.816 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 54 2.963 3.900 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 54 1.274 4.426 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.432 5.052 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.037 3.343 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.652 4.546 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.214 6.731 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.338 6.240 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.875 6.240 -4.018 1.00 0.00 H new ATOM 803 N TRP A 55 2.414 1.589 -2.133 1.00 0.00 N ATOM 804 CA TRP A 55 2.166 0.204 -2.031 1.00 0.00 C ATOM 805 C TRP A 55 0.826 -0.013 -1.366 1.00 0.00 C ATOM 806 O TRP A 55 0.530 0.565 -0.306 1.00 0.00 O ATOM 807 CB TRP A 55 3.299 -0.482 -1.251 1.00 0.00 C ATOM 808 CG TRP A 55 4.665 -0.298 -1.870 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.455 0.792 -1.756 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.400 -1.235 -2.681 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.621 0.609 -2.442 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.618 -0.622 -3.016 1.00 0.00 C ATOM 813 CE3 TRP A 55 5.149 -2.520 -3.158 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.585 -1.251 -3.799 1.00 0.00 C ATOM 815 CZ3 TRP A 55 6.105 -3.145 -3.935 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.311 -2.512 -4.247 1.00 0.00 C ATOM 0 H TRP A 55 2.643 2.031 -1.243 1.00 0.00 H new ATOM 0 HA TRP A 55 2.136 -0.241 -3.025 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.316 -0.091 -0.234 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.084 -1.548 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.200 1.682 -1.201 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.377 1.290 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.221 -3.020 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.516 -0.760 -4.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.917 -4.141 -4.308 1.00 0.00 H new ATOM 0 HH2 TRP A 55 8.040 -3.029 -4.853 1.00 0.00 H new ATOM 827 N LEU A 56 0.012 -0.779 -2.005 1.00 0.00 N ATOM 828 CA LEU A 56 -1.292 -1.078 -1.495 1.00 0.00 C ATOM 829 C LEU A 56 -1.347 -2.487 -0.929 1.00 0.00 C ATOM 830 O LEU A 56 -1.029 -3.445 -1.623 1.00 0.00 O ATOM 831 CB LEU A 56 -2.353 -0.930 -2.568 1.00 0.00 C ATOM 832 CG LEU A 56 -3.753 -1.295 -2.102 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.577 -0.077 -1.753 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.428 -2.207 -3.081 1.00 0.00 C ATOM 0 H LEU A 56 0.227 -1.220 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.494 -0.362 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.356 0.100 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.087 -1.559 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.658 -1.854 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.569 -0.390 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.088 0.476 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.670 0.563 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.428 -2.451 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.502 -1.711 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.846 -3.123 -3.186 1.00 0.00 H new ATOM 846 N CYS A 57 -1.763 -2.586 0.321 1.00 0.00 N ATOM 847 CA CYS A 57 -1.936 -3.840 1.033 1.00 0.00 C ATOM 848 C CYS A 57 -3.024 -4.653 0.348 1.00 0.00 C ATOM 849 O CYS A 57 -4.193 -4.294 0.419 1.00 0.00 O ATOM 850 CB CYS A 57 -2.369 -3.521 2.475 1.00 0.00 C ATOM 851 SG CYS A 57 -2.390 -4.920 3.651 1.00 0.00 S ATOM 0 H CYS A 57 -1.997 -1.770 0.887 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.006 -4.408 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.702 -2.754 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.369 -3.088 2.443 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.254 -4.470 4.863 1.00 0.00 H new ATOM 856 N LEU A 58 -2.649 -5.769 -0.264 1.00 0.00 N ATOM 857 CA LEU A 58 -3.572 -6.633 -1.030 1.00 0.00 C ATOM 858 C LEU A 58 -4.422 -7.419 -0.102 1.00 0.00 C ATOM 859 O LEU A 58 -5.307 -8.171 -0.485 1.00 0.00 O ATOM 860 CB LEU A 58 -2.733 -7.550 -1.890 1.00 0.00 C ATOM 861 CG LEU A 58 -1.713 -6.796 -2.714 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.875 -7.692 -3.542 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.394 -5.807 -3.563 1.00 0.00 C ATOM 0 H LEU A 58 -1.689 -6.113 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.232 -6.032 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.220 -8.271 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.385 -8.117 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.043 -6.290 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.161 -7.098 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.336 -8.386 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.510 -8.253 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.656 -5.266 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.090 -6.317 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.942 -5.104 -2.935 1.00 0.00 H new ATOM 875 N LYS A 59 -4.107 -7.246 1.104 1.00 0.00 N ATOM 876 CA LYS A 59 -4.785 -7.833 2.176 1.00 0.00 C ATOM 877 C LYS A 59 -5.970 -6.982 2.657 1.00 0.00 C ATOM 878 O LYS A 59 -7.032 -7.518 2.935 1.00 0.00 O ATOM 879 CB LYS A 59 -3.797 -8.095 3.302 1.00 0.00 C ATOM 880 CG LYS A 59 -4.429 -8.567 4.563 1.00 0.00 C ATOM 881 CD LYS A 59 -5.064 -9.926 4.401 1.00 0.00 C ATOM 882 CE LYS A 59 -5.423 -10.518 5.741 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.017 -11.857 5.602 1.00 0.00 N ATOM 0 H LYS A 59 -3.325 -6.658 1.393 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.213 -8.777 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.072 -8.839 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.243 -7.179 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.678 -8.609 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.185 -7.849 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.959 -9.842 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.378 -10.592 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.530 -10.579 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.125 -9.860 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.063 -12.315 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.976 -11.772 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.431 -12.432 4.963 1.00 0.00 H new ATOM 897 N CYS A 60 -5.797 -5.677 2.778 1.00 0.00 N ATOM 898 CA CYS A 60 -6.905 -4.873 3.323 1.00 0.00 C ATOM 899 C CYS A 60 -7.210 -3.603 2.555 1.00 0.00 C ATOM 900 O CYS A 60 -8.148 -2.900 2.902 1.00 0.00 O ATOM 901 CB CYS A 60 -6.644 -4.525 4.770 1.00 0.00 C ATOM 902 SG CYS A 60 -5.358 -3.279 4.991 1.00 0.00 S ATOM 0 H CYS A 60 -4.953 -5.163 2.525 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.785 -5.509 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.569 -4.165 5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.358 -5.430 5.307 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.226 -3.741 4.549 1.00 0.00 H new ATOM 907 N GLY A 61 -6.427 -3.291 1.571 1.00 0.00 N ATOM 908 CA GLY A 61 -6.656 -2.077 0.819 1.00 0.00 C ATOM 909 C GLY A 61 -6.054 -0.849 1.491 1.00 0.00 C ATOM 910 O GLY A 61 -6.439 0.279 1.194 1.00 0.00 O ATOM 0 H GLY A 61 -5.629 -3.847 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.230 -2.186 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.729 -1.929 0.693 1.00 0.00 H new ATOM 914 N HIS A 62 -5.152 -1.077 2.432 1.00 0.00 N ATOM 915 CA HIS A 62 -4.415 0.012 3.063 1.00 0.00 C ATOM 916 C HIS A 62 -3.330 0.459 2.131 1.00 0.00 C ATOM 917 O HIS A 62 -2.531 -0.343 1.677 1.00 0.00 O ATOM 918 CB HIS A 62 -3.790 -0.408 4.390 1.00 0.00 C ATOM 919 CG HIS A 62 -2.990 0.685 5.059 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.623 0.834 4.917 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.390 1.685 5.873 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.249 1.894 5.631 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.287 2.449 6.234 1.00 0.00 N ATOM 0 H HIS A 62 -4.911 -2.006 2.778 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.117 0.820 3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.580 -0.733 5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.142 -1.268 4.220 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.009 0.237 4.363 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.406 1.863 6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.233 2.253 5.707 1.00 0.00 H new ATOM 931 N GLN A 63 -3.293 1.706 1.881 1.00 0.00 N ATOM 932 CA GLN A 63 -2.365 2.238 0.962 1.00 0.00 C ATOM 933 C GLN A 63 -1.317 3.094 1.679 1.00 0.00 C ATOM 934 O GLN A 63 -1.644 4.023 2.431 1.00 0.00 O ATOM 935 CB GLN A 63 -3.153 2.978 -0.032 1.00 0.00 C ATOM 936 CG GLN A 63 -2.439 3.454 -1.219 1.00 0.00 C ATOM 937 CD GLN A 63 -3.404 3.925 -2.251 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.132 3.913 -3.424 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.555 4.275 -1.842 1.00 0.00 N ATOM 0 H GLN A 63 -3.910 2.396 2.310 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.787 1.462 0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.971 2.338 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.602 3.839 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.765 4.266 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.823 2.652 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.762 4.277 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.272 4.554 -2.512 1.00 0.00 H new ATOM 948 N GLY A 64 -0.093 2.740 1.457 1.00 0.00 N ATOM 949 CA GLY A 64 1.015 3.314 2.116 1.00 0.00 C ATOM 950 C GLY A 64 2.126 3.617 1.189 1.00 0.00 C ATOM 951 O GLY A 64 2.186 3.117 0.091 1.00 0.00 O ATOM 0 H GLY A 64 0.163 2.016 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.702 4.231 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.367 2.633 2.890 1.00 0.00 H new ATOM 955 N CYS A 65 2.986 4.445 1.639 1.00 0.00 N ATOM 956 CA CYS A 65 4.099 4.868 0.888 1.00 0.00 C ATOM 957 C CYS A 65 5.286 3.963 1.237 1.00 0.00 C ATOM 958 O CYS A 65 5.430 3.534 2.410 1.00 0.00 O ATOM 959 CB CYS A 65 4.341 6.333 1.202 1.00 0.00 C ATOM 960 SG CYS A 65 4.477 6.652 2.963 1.00 0.00 S ATOM 0 H CYS A 65 2.933 4.860 2.569 1.00 0.00 H new ATOM 0 HA CYS A 65 3.940 4.785 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.255 6.660 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.525 6.928 0.791 1.00 0.00 H new ATOM 0 HG CYS A 65 4.288 7.918 3.191 1.00 0.00 H new ATOM 965 N GLY A 66 6.072 3.641 0.241 1.00 0.00 N ATOM 966 CA GLY A 66 7.149 2.699 0.373 1.00 0.00 C ATOM 967 C GLY A 66 8.393 3.212 1.050 1.00 0.00 C ATOM 968 O GLY A 66 8.360 4.144 1.842 1.00 0.00 O ATOM 0 H GLY A 66 5.979 4.032 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.785 1.836 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.420 2.345 -0.622 1.00 0.00 H new ATOM 972 N ARG A 67 9.503 2.633 0.663 1.00 0.00 N ATOM 973 CA ARG A 67 10.794 2.826 1.320 1.00 0.00 C ATOM 974 C ARG A 67 11.440 4.150 0.944 1.00 0.00 C ATOM 975 O ARG A 67 12.434 4.553 1.526 1.00 0.00 O ATOM 976 CB ARG A 67 11.721 1.664 0.948 1.00 0.00 C ATOM 977 CG ARG A 67 11.090 0.297 1.192 1.00 0.00 C ATOM 978 CD ARG A 67 12.002 -0.849 0.786 1.00 0.00 C ATOM 979 NE ARG A 67 12.401 -0.785 -0.628 1.00 0.00 N ATOM 980 CZ ARG A 67 12.815 -1.825 -1.361 1.00 0.00 C ATOM 981 NH1 ARG A 67 12.788 -3.066 -0.859 1.00 0.00 N ATOM 982 NH2 ARG A 67 13.247 -1.617 -2.604 1.00 0.00 N ATOM 0 H ARG A 67 9.546 1.998 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 67 10.626 2.848 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.997 1.748 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.642 1.742 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.839 0.200 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.156 0.228 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.894 -0.837 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.495 -1.795 0.973 1.00 0.00 H new ATOM 0 HE ARG A 67 12.359 0.125 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.450 -3.225 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.106 -3.852 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.260 -0.672 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.565 -2.403 -3.172 1.00 0.00 H new ATOM 996 N ASN A 68 10.851 4.839 0.006 1.00 0.00 N ATOM 997 CA ASN A 68 11.429 6.088 -0.489 1.00 0.00 C ATOM 998 C ASN A 68 10.858 7.261 0.278 1.00 0.00 C ATOM 999 O ASN A 68 11.178 8.425 -0.007 1.00 0.00 O ATOM 1000 CB ASN A 68 11.106 6.305 -1.975 1.00 0.00 C ATOM 1001 CG ASN A 68 10.958 5.025 -2.755 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.846 4.516 -2.899 1.00 0.00 O ATOM 1003 ND2 ASN A 68 12.036 4.479 -3.228 1.00 0.00 N ATOM 0 H ASN A 68 9.973 4.570 -0.439 1.00 0.00 H new ATOM 0 HA ASN A 68 12.509 6.019 -0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.183 6.879 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.896 6.906 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.979 3.598 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.940 4.931 -3.089 1.00 0.00 H new ATOM 1010 N SER A 69 10.040 6.979 1.254 1.00 0.00 N ATOM 1011 CA SER A 69 9.381 8.026 1.959 1.00 0.00 C ATOM 1012 C SER A 69 10.138 8.325 3.264 1.00 0.00 C ATOM 1013 O SER A 69 11.163 7.678 3.556 1.00 0.00 O ATOM 1014 CB SER A 69 7.926 7.635 2.219 1.00 0.00 C ATOM 1015 OG SER A 69 7.846 6.461 2.991 1.00 0.00 O ATOM 0 H SER A 69 9.819 6.036 1.573 1.00 0.00 H new ATOM 0 HA SER A 69 9.377 8.937 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.414 8.448 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.411 7.485 1.270 1.00 0.00 H new ATOM 0 HG SER A 69 7.870 5.679 2.401 1.00 0.00 H new ATOM 1021 N GLN A 70 9.682 9.296 4.014 1.00 0.00 N ATOM 1022 CA GLN A 70 10.308 9.636 5.276 1.00 0.00 C ATOM 1023 C GLN A 70 9.806 8.703 6.363 1.00 0.00 C ATOM 1024 O GLN A 70 10.562 8.243 7.220 1.00 0.00 O ATOM 1025 CB GLN A 70 9.993 11.091 5.654 1.00 0.00 C ATOM 1026 CG GLN A 70 10.658 11.567 6.945 1.00 0.00 C ATOM 1027 CD GLN A 70 12.185 11.554 6.889 1.00 0.00 C ATOM 1028 OE1 GLN A 70 12.751 11.806 5.728 1.00 0.00 O flip ATOM 1029 NE2 GLN A 70 12.847 11.339 7.910 1.00 0.00 N flip ATOM 0 H GLN A 70 8.874 9.871 3.774 1.00 0.00 H new ATOM 0 HA GLN A 70 11.388 9.527 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.306 11.741 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.913 11.202 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.320 12.579 7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.328 10.934 7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.374 11.147 8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.866 11.354 7.870 1.00 0.00 H new ATOM 1038 N GLU A 71 8.533 8.435 6.307 1.00 0.00 N ATOM 1039 CA GLU A 71 7.837 7.678 7.310 1.00 0.00 C ATOM 1040 C GLU A 71 7.846 6.173 7.011 1.00 0.00 C ATOM 1041 O GLU A 71 7.951 5.355 7.926 1.00 0.00 O ATOM 1042 CB GLU A 71 6.377 8.140 7.330 1.00 0.00 C ATOM 1043 CG GLU A 71 5.648 7.871 6.033 1.00 0.00 C ATOM 1044 CD GLU A 71 5.687 8.955 4.995 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.773 9.432 4.614 1.00 0.00 O ATOM 1046 OE2 GLU A 71 4.605 9.262 4.484 1.00 0.00 O ATOM 0 H GLU A 71 7.934 8.745 5.542 1.00 0.00 H new ATOM 0 HA GLU A 71 8.339 7.843 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.855 7.637 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.344 9.209 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.063 6.964 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.604 7.663 6.267 1.00 0.00 H new ATOM 1053 N GLN A 72 7.784 5.830 5.723 1.00 0.00 N ATOM 1054 CA GLN A 72 7.631 4.466 5.252 1.00 0.00 C ATOM 1055 C GLN A 72 6.405 3.789 5.897 1.00 0.00 C ATOM 1056 O GLN A 72 6.510 2.733 6.521 1.00 0.00 O ATOM 1057 CB GLN A 72 8.930 3.676 5.429 1.00 0.00 C ATOM 1058 CG GLN A 72 10.090 4.358 4.732 1.00 0.00 C ATOM 1059 CD GLN A 72 11.347 3.607 4.732 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.270 2.361 4.673 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.420 4.190 4.755 1.00 0.00 N flip ATOM 0 H GLN A 72 7.841 6.513 4.968 1.00 0.00 H new ATOM 0 HA GLN A 72 7.433 4.485 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.152 3.571 6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.803 2.670 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.805 4.558 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.262 5.323 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.446 5.209 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.290 3.658 4.726 1.00 0.00 H new ATOM 1070 N HIS A 73 5.222 4.428 5.730 1.00 0.00 N ATOM 1071 CA HIS A 73 3.983 3.979 6.291 1.00 0.00 C ATOM 1072 C HIS A 73 3.622 2.519 5.935 1.00 0.00 C ATOM 1073 O HIS A 73 3.069 1.802 6.771 1.00 0.00 O ATOM 1074 CB HIS A 73 2.878 4.918 5.852 1.00 0.00 C ATOM 1075 CG HIS A 73 2.821 6.268 6.547 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.585 7.413 5.844 1.00 0.00 N ATOM 1077 CD2 HIS A 73 2.870 6.575 7.861 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.481 8.370 6.699 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.641 7.925 7.952 1.00 0.00 N ATOM 0 H HIS A 73 5.131 5.286 5.185 1.00 0.00 H new ATOM 0 HA HIS A 73 4.099 3.993 7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.982 5.090 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.923 4.415 6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.053 5.893 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.289 9.400 6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.601 8.481 8.806 1.00 0.00 H new ATOM 1087 N ALA A 74 3.938 2.089 4.715 1.00 0.00 N ATOM 1088 CA ALA A 74 3.651 0.703 4.280 1.00 0.00 C ATOM 1089 C ALA A 74 4.475 -0.288 5.099 1.00 0.00 C ATOM 1090 O ALA A 74 3.988 -1.348 5.528 1.00 0.00 O ATOM 1091 CB ALA A 74 3.947 0.538 2.794 1.00 0.00 C ATOM 0 H ALA A 74 4.390 2.668 4.007 1.00 0.00 H new ATOM 0 HA ALA A 74 2.593 0.499 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.730 -0.487 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.325 1.225 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.998 0.757 2.606 1.00 0.00 H new ATOM 1097 N LEU A 75 5.683 0.118 5.395 1.00 0.00 N ATOM 1098 CA LEU A 75 6.618 -0.684 6.152 1.00 0.00 C ATOM 1099 C LEU A 75 6.107 -0.780 7.579 1.00 0.00 C ATOM 1100 O LEU A 75 6.033 -1.868 8.146 1.00 0.00 O ATOM 1101 CB LEU A 75 8.044 -0.085 6.096 1.00 0.00 C ATOM 1102 CG LEU A 75 8.816 -0.119 4.736 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.131 -1.526 4.330 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.074 0.587 3.601 1.00 0.00 C ATOM 0 H LEU A 75 6.053 1.026 5.115 1.00 0.00 H new ATOM 0 HA LEU A 75 6.688 -1.682 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.979 0.956 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.652 -0.607 6.835 1.00 0.00 H new ATOM 0 HG LEU A 75 9.742 0.430 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.668 -1.519 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.751 -1.995 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.204 -2.089 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.665 0.526 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.109 0.106 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.919 1.633 3.863 1.00 0.00 H new ATOM 1116 N LYS A 76 5.724 0.363 8.155 1.00 0.00 N ATOM 1117 CA LYS A 76 5.085 0.394 9.472 1.00 0.00 C ATOM 1118 C LYS A 76 3.839 -0.488 9.500 1.00 0.00 C ATOM 1119 O LYS A 76 3.577 -1.175 10.486 1.00 0.00 O ATOM 1120 CB LYS A 76 4.676 1.812 9.818 1.00 0.00 C ATOM 1121 CG LYS A 76 5.805 2.810 9.745 1.00 0.00 C ATOM 1122 CD LYS A 76 5.315 4.212 10.012 1.00 0.00 C ATOM 1123 CE LYS A 76 4.871 4.387 11.461 1.00 0.00 C ATOM 1124 NZ LYS A 76 4.395 5.755 11.742 1.00 0.00 N ATOM 0 H LYS A 76 5.846 1.281 7.728 1.00 0.00 H new ATOM 0 HA LYS A 76 5.807 0.020 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.882 2.126 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.259 1.824 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.574 2.547 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.269 2.766 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.108 4.924 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.483 4.440 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.075 3.676 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.703 4.151 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.105 5.824 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.161 6.434 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.583 5.973 11.129 1.00 0.00 H new ATOM 1138 N HIS A 77 3.112 -0.514 8.394 1.00 0.00 N ATOM 1139 CA HIS A 77 1.882 -1.298 8.316 1.00 0.00 C ATOM 1140 C HIS A 77 2.213 -2.778 8.348 1.00 0.00 C ATOM 1141 O HIS A 77 1.446 -3.578 8.881 1.00 0.00 O ATOM 1142 CB HIS A 77 1.051 -0.931 7.093 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.308 -1.586 7.026 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.391 -1.145 7.739 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.755 -2.642 6.283 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.438 -1.908 7.425 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.111 -2.834 6.542 1.00 0.00 N ATOM 0 H HIS A 77 3.347 -0.006 7.541 1.00 0.00 H new ATOM 0 HA HIS A 77 1.268 -1.062 9.185 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.918 0.151 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.612 -1.199 6.197 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.396 -0.366 8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.155 -3.232 5.605 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.428 -1.785 7.840 1.00 0.00 H new ATOM 1155 N TYR A 78 3.336 -3.142 7.790 1.00 0.00 N ATOM 1156 CA TYR A 78 3.811 -4.500 7.916 1.00 0.00 C ATOM 1157 C TYR A 78 4.268 -4.777 9.334 1.00 0.00 C ATOM 1158 O TYR A 78 4.054 -5.869 9.862 1.00 0.00 O ATOM 1159 CB TYR A 78 4.932 -4.797 6.934 1.00 0.00 C ATOM 1160 CG TYR A 78 5.616 -6.141 7.176 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.916 -7.341 7.062 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.953 -6.202 7.558 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.530 -8.554 7.315 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.570 -7.409 7.815 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.855 -8.582 7.693 1.00 0.00 C ATOM 1166 OH TYR A 78 7.471 -9.792 7.954 1.00 0.00 O ATOM 0 H TYR A 78 3.938 -2.524 7.246 1.00 0.00 H new ATOM 0 HA TYR A 78 2.977 -5.160 7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.530 -4.780 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.677 -4.003 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.876 -7.323 6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.518 -5.287 7.655 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.974 -9.475 7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.608 -7.435 8.110 1.00 0.00 H new ATOM 0 HH TYR A 78 8.405 -9.636 8.207 1.00 0.00 H new ATOM 1176 N LEU A 79 4.872 -3.791 9.968 1.00 0.00 N ATOM 1177 CA LEU A 79 5.368 -3.946 11.328 1.00 0.00 C ATOM 1178 C LEU A 79 4.238 -3.822 12.328 1.00 0.00 C ATOM 1179 O LEU A 79 4.443 -3.941 13.540 1.00 0.00 O ATOM 1180 CB LEU A 79 6.456 -2.919 11.619 1.00 0.00 C ATOM 1181 CG LEU A 79 7.630 -2.925 10.649 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.658 -1.887 11.036 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.242 -4.309 10.571 1.00 0.00 C ATOM 0 H LEU A 79 5.033 -2.869 9.564 1.00 0.00 H new ATOM 0 HA LEU A 79 5.799 -4.942 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.007 -1.926 11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.836 -3.092 12.626 1.00 0.00 H new ATOM 0 HG LEU A 79 7.261 -2.663 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.486 -1.913 10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.199 -0.898 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.032 -2.101 12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.080 -4.298 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.595 -4.607 11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.492 -5.020 10.225 1.00 0.00 H new ATOM 1195 N THR A 80 3.068 -3.561 11.819 1.00 0.00 N ATOM 1196 CA THR A 80 1.881 -3.530 12.640 1.00 0.00 C ATOM 1197 C THR A 80 1.555 -4.992 13.081 1.00 0.00 C ATOM 1198 O THR A 80 1.560 -5.901 12.236 1.00 0.00 O ATOM 1199 CB THR A 80 0.712 -2.906 11.837 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.089 -1.580 11.421 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.566 -2.828 12.658 1.00 0.00 C ATOM 0 H THR A 80 2.905 -3.364 10.831 1.00 0.00 H new ATOM 0 HA THR A 80 2.037 -2.917 13.528 1.00 0.00 H new ATOM 0 HB THR A 80 0.515 -3.544 10.975 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.962 -1.612 10.977 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.359 -2.384 12.056 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.862 -3.831 12.966 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.394 -2.213 13.541 1.00 0.00 H new ATOM 1209 N PRO A 81 1.320 -5.237 14.397 1.00 0.00 N ATOM 1210 CA PRO A 81 1.081 -6.589 14.951 1.00 0.00 C ATOM 1211 C PRO A 81 -0.129 -7.292 14.369 1.00 0.00 C ATOM 1212 O PRO A 81 -1.290 -7.010 14.686 1.00 0.00 O ATOM 1213 CB PRO A 81 0.887 -6.363 16.424 1.00 0.00 C ATOM 1214 CG PRO A 81 0.480 -4.961 16.505 1.00 0.00 C ATOM 1215 CD PRO A 81 1.261 -4.238 15.456 1.00 0.00 C ATOM 0 HA PRO A 81 1.918 -7.244 14.709 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.126 -7.026 16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.805 -6.547 16.982 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.591 -4.856 16.334 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.686 -4.553 17.494 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.763 -3.324 15.131 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.253 -3.953 15.807 1.00 0.00 H new ATOM 1223 N ARG A 82 0.173 -8.141 13.498 1.00 0.00 N ATOM 1224 CA ARG A 82 -0.784 -8.954 12.780 1.00 0.00 C ATOM 1225 C ARG A 82 -0.424 -10.419 12.770 1.00 0.00 C ATOM 1226 O ARG A 82 0.747 -10.777 12.589 1.00 0.00 O ATOM 1227 CB ARG A 82 -0.846 -8.473 11.365 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.622 -7.220 11.197 1.00 0.00 C ATOM 1229 CD ARG A 82 -3.084 -7.520 11.326 1.00 0.00 C ATOM 1230 NE ARG A 82 -3.926 -6.338 11.153 1.00 0.00 N ATOM 1231 CZ ARG A 82 -5.228 -6.297 11.445 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -5.828 -7.375 11.949 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -5.922 -5.183 11.246 1.00 0.00 N ATOM 0 H ARG A 82 1.138 -8.326 13.225 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.743 -8.856 13.289 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.168 -8.314 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.290 -9.251 10.745 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.322 -6.490 11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.415 -6.779 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.362 -8.269 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.275 -7.955 12.307 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.492 -5.491 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.293 -8.228 12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.823 -7.347 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.461 -4.355 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.917 -5.155 11.470 1.00 0.00 H new ATOM 1247 N SER A 83 -1.421 -11.256 12.951 1.00 0.00 N ATOM 1248 CA SER A 83 -1.245 -12.672 12.828 1.00 0.00 C ATOM 1249 C SER A 83 -1.529 -13.025 11.375 1.00 0.00 C ATOM 1250 O SER A 83 -0.797 -13.813 10.744 1.00 0.00 O ATOM 1251 CB SER A 83 -2.180 -13.437 13.780 1.00 0.00 C ATOM 1252 OG SER A 83 -1.851 -14.820 13.814 1.00 0.00 O ATOM 0 H SER A 83 -2.371 -10.968 13.187 1.00 0.00 H new ATOM 0 HA SER A 83 -0.230 -12.959 13.104 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.106 -13.017 14.783 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.214 -13.313 13.458 1.00 0.00 H new ATOM 0 HG SER A 83 -2.458 -15.286 14.427 1.00 0.00 H new ATOM 1258 N GLU A 84 -2.587 -12.425 10.833 1.00 0.00 N ATOM 1259 CA GLU A 84 -2.868 -12.548 9.430 1.00 0.00 C ATOM 1260 C GLU A 84 -1.965 -11.603 8.745 1.00 0.00 C ATOM 1261 O GLU A 84 -1.883 -10.434 9.129 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.313 -12.257 9.029 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.384 -13.179 9.604 1.00 0.00 C ATOM 1264 CD GLU A 84 -5.605 -13.017 11.078 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.226 -12.023 11.488 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -5.226 -13.893 11.844 1.00 0.00 O ATOM 0 H GLU A 84 -3.253 -11.854 11.353 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.711 -13.589 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.549 -11.235 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.379 -12.296 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.324 -12.994 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.105 -14.213 9.401 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.278 -12.043 7.735 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.269 -11.270 7.170 1.00 0.00 C ATOM 1275 C PRO A 85 -0.759 -10.258 6.175 1.00 0.00 C ATOM 1276 O PRO A 85 -1.196 -10.553 5.059 1.00 0.00 O ATOM 1277 CB PRO A 85 0.660 -12.284 6.561 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.252 -13.341 6.083 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.440 -13.322 7.024 1.00 0.00 C ATOM 0 HA PRO A 85 0.220 -10.643 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.242 -11.856 5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.371 -12.668 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.564 -13.152 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.239 -14.314 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.385 -13.366 6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.426 -14.170 7.709 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.691 -9.074 6.604 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.926 -7.913 5.785 1.00 0.00 C ATOM 1289 C HIS A 86 0.374 -7.559 5.098 1.00 0.00 C ATOM 1290 O HIS A 86 0.677 -6.397 4.876 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.391 -6.751 6.660 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.797 -6.878 7.139 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.379 -7.838 7.899 1.00 0.00 N flip ATOM 1294 CD2 HIS A 86 -3.719 -5.935 6.826 1.00 0.00 C flip ATOM 1295 CE1 HIS A 86 -4.686 -7.469 8.058 1.00 0.00 C flip ATOM 1296 NE2 HIS A 86 -4.848 -6.314 7.396 1.00 0.00 N flip ATOM 0 H HIS A 86 -0.462 -8.848 7.572 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.700 -8.116 5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.730 -6.672 7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.292 -5.823 6.097 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.930 -8.672 8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.561 -5.049 6.229 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.443 -8.005 8.611 1.00 0.00 H new ATOM 1304 N CYS A 87 1.077 -8.588 4.667 1.00 0.00 N ATOM 1305 CA CYS A 87 2.421 -8.428 4.164 1.00 0.00 C ATOM 1306 C CYS A 87 2.447 -8.349 2.676 1.00 0.00 C ATOM 1307 O CYS A 87 3.515 -8.447 2.054 1.00 0.00 O ATOM 1308 CB CYS A 87 3.267 -9.614 4.582 1.00 0.00 C ATOM 1309 SG CYS A 87 2.608 -11.213 4.057 1.00 0.00 S ATOM 0 H CYS A 87 0.734 -9.549 4.657 1.00 0.00 H new ATOM 0 HA CYS A 87 2.814 -7.499 4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.270 -9.494 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.365 -9.612 5.668 1.00 0.00 H new ATOM 0 HG CYS A 87 3.192 -11.583 2.956 1.00 0.00 H new ATOM 1315 N LEU A 88 1.296 -8.226 2.105 1.00 0.00 N ATOM 1316 CA LEU A 88 1.167 -8.214 0.686 1.00 0.00 C ATOM 1317 C LEU A 88 0.784 -6.899 0.242 1.00 0.00 C ATOM 1318 O LEU A 88 -0.227 -6.365 0.668 1.00 0.00 O ATOM 1319 CB LEU A 88 0.224 -9.274 0.160 1.00 0.00 C ATOM 1320 CG LEU A 88 0.725 -10.684 0.303 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.001 -11.643 -0.569 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.175 -10.782 0.045 1.00 0.00 C ATOM 0 H LEU A 88 0.415 -8.131 2.610 1.00 0.00 H new ATOM 0 HA LEU A 88 2.143 -8.464 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.728 -9.186 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.028 -9.077 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 88 0.530 -10.957 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.406 -12.645 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.059 -11.639 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.124 -11.351 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.496 -11.818 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.388 -10.446 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.714 -10.155 0.755 1.00 0.00 H new ATOM 1334 N VAL A 89 1.606 -6.358 -0.583 1.00 0.00 N ATOM 1335 CA VAL A 89 1.369 -5.072 -1.139 1.00 0.00 C ATOM 1336 C VAL A 89 1.717 -5.106 -2.603 1.00 0.00 C ATOM 1337 O VAL A 89 2.574 -5.881 -3.013 1.00 0.00 O ATOM 1338 CB VAL A 89 2.221 -3.962 -0.457 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.883 -3.797 1.012 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.695 -4.246 -0.624 1.00 0.00 C ATOM 0 H VAL A 89 2.471 -6.799 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 89 0.317 -4.833 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 89 1.977 -3.023 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.504 -3.011 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.832 -3.527 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.070 -4.735 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.274 -3.459 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.935 -5.206 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.941 -4.278 -1.685 1.00 0.00 H new ATOM 1350 N LEU A 90 1.014 -4.375 -3.395 1.00 0.00 N ATOM 1351 CA LEU A 90 1.417 -4.207 -4.744 1.00 0.00 C ATOM 1352 C LEU A 90 1.903 -2.794 -4.897 1.00 0.00 C ATOM 1353 O LEU A 90 1.544 -1.925 -4.102 1.00 0.00 O ATOM 1354 CB LEU A 90 0.290 -4.580 -5.768 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.886 -3.604 -5.968 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.482 -2.474 -6.847 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.111 -4.281 -6.550 1.00 0.00 C ATOM 0 H LEU A 90 0.159 -3.885 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 90 2.224 -4.901 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.763 -4.730 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.127 -5.540 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.151 -3.229 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.325 -1.795 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.349 -1.937 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.174 -2.861 -7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.909 -3.548 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.863 -4.710 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.443 -5.072 -5.878 1.00 0.00 H new ATOM 1369 N SER A 91 2.681 -2.553 -5.884 1.00 0.00 N ATOM 1370 CA SER A 91 3.225 -1.261 -6.104 1.00 0.00 C ATOM 1371 C SER A 91 2.433 -0.532 -7.174 1.00 0.00 C ATOM 1372 O SER A 91 2.155 -1.073 -8.220 1.00 0.00 O ATOM 1373 CB SER A 91 4.709 -1.380 -6.501 1.00 0.00 C ATOM 1374 OG SER A 91 4.919 -1.816 -7.829 1.00 0.00 O ATOM 0 H SER A 91 2.963 -3.252 -6.571 1.00 0.00 H new ATOM 0 HA SER A 91 3.159 -0.682 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.188 -0.410 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.201 -2.074 -5.820 1.00 0.00 H new ATOM 0 HG SER A 91 5.881 -1.866 -8.009 1.00 0.00 H new ATOM 1380 N LEU A 92 2.088 0.687 -6.910 1.00 0.00 N ATOM 1381 CA LEU A 92 1.404 1.546 -7.878 1.00 0.00 C ATOM 1382 C LEU A 92 2.437 2.252 -8.739 1.00 0.00 C ATOM 1383 O LEU A 92 2.161 3.238 -9.417 1.00 0.00 O ATOM 1384 CB LEU A 92 0.568 2.545 -7.101 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.597 1.923 -6.345 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.104 2.854 -5.324 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.716 1.619 -7.280 1.00 0.00 C ATOM 0 H LEU A 92 2.266 1.138 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 92 0.758 0.964 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.210 3.067 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.181 3.294 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.236 1.008 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.937 2.393 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.308 3.088 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.443 3.772 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.543 1.174 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.052 2.540 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.373 0.920 -8.043 1.00 0.00 H new ATOM 1399 N ASP A 93 3.617 1.693 -8.725 1.00 0.00 N ATOM 1400 CA ASP A 93 4.767 2.253 -9.386 1.00 0.00 C ATOM 1401 C ASP A 93 5.138 1.411 -10.581 1.00 0.00 C ATOM 1402 O ASP A 93 5.076 1.844 -11.721 1.00 0.00 O ATOM 1403 CB ASP A 93 5.927 2.228 -8.413 1.00 0.00 C ATOM 1404 CG ASP A 93 7.062 3.152 -8.815 1.00 0.00 C ATOM 1405 OD1 ASP A 93 7.960 2.721 -9.551 1.00 0.00 O ATOM 1406 OD2 ASP A 93 7.065 4.324 -8.398 1.00 0.00 O ATOM 0 H ASP A 93 3.811 0.815 -8.243 1.00 0.00 H new ATOM 0 HA ASP A 93 4.542 3.269 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.569 2.511 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.306 1.209 -8.335 1.00 0.00 H new ATOM 1411 N ASN A 94 5.505 0.188 -10.299 1.00 0.00 N ATOM 1412 CA ASN A 94 5.958 -0.746 -11.333 1.00 0.00 C ATOM 1413 C ASN A 94 4.930 -1.846 -11.472 1.00 0.00 C ATOM 1414 O ASN A 94 4.976 -2.671 -12.396 1.00 0.00 O ATOM 1415 CB ASN A 94 7.351 -1.316 -10.936 1.00 0.00 C ATOM 1416 CG ASN A 94 7.929 -2.332 -11.913 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.662 -1.876 -12.869 1.00 0.00 O flip ATOM 1418 ND2 ASN A 94 7.729 -3.538 -11.772 1.00 0.00 N flip ATOM 0 H ASN A 94 5.504 -0.201 -9.356 1.00 0.00 H new ATOM 0 HA ASN A 94 6.062 -0.242 -12.294 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.052 -0.487 -10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.270 -1.783 -9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.144 -3.872 -11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.148 -4.204 -12.421 1.00 0.00 H new ATOM 1425 N TRP A 95 3.967 -1.805 -10.558 1.00 0.00 N ATOM 1426 CA TRP A 95 2.925 -2.802 -10.441 1.00 0.00 C ATOM 1427 C TRP A 95 3.525 -4.137 -10.146 1.00 0.00 C ATOM 1428 O TRP A 95 3.515 -5.049 -10.973 1.00 0.00 O ATOM 1429 CB TRP A 95 1.964 -2.837 -11.641 1.00 0.00 C ATOM 1430 CG TRP A 95 1.126 -1.608 -11.751 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.409 -0.481 -12.458 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.131 -1.378 -11.116 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.401 0.429 -12.304 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.555 -0.093 -11.483 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -0.939 -2.138 -10.274 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.754 0.454 -11.036 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.125 -1.599 -9.830 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.524 -0.315 -10.210 1.00 0.00 C ATOM 0 H TRP A 95 3.893 -1.059 -9.866 1.00 0.00 H new ATOM 0 HA TRP A 95 2.295 -2.513 -9.600 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.540 -2.961 -12.558 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.314 -3.707 -11.554 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.298 -0.328 -13.052 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.369 1.353 -12.735 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.640 -3.132 -9.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.063 1.446 -11.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.759 -2.179 -9.176 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.461 0.078 -9.843 1.00 0.00 H new ATOM 1449 N SER A 96 4.171 -4.202 -9.015 1.00 0.00 N ATOM 1450 CA SER A 96 4.761 -5.420 -8.570 1.00 0.00 C ATOM 1451 C SER A 96 4.019 -5.867 -7.384 1.00 0.00 C ATOM 1452 O SER A 96 3.318 -5.079 -6.777 1.00 0.00 O ATOM 1453 CB SER A 96 6.178 -5.194 -8.106 1.00 0.00 C ATOM 1454 OG SER A 96 6.971 -4.531 -9.074 1.00 0.00 O ATOM 0 H SER A 96 4.299 -3.412 -8.383 1.00 0.00 H new ATOM 0 HA SER A 96 4.740 -6.136 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.166 -4.606 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.634 -6.154 -7.864 1.00 0.00 H new ATOM 0 HG SER A 96 7.844 -4.972 -9.140 1.00 0.00 H new ATOM 1460 N VAL A 97 4.181 -7.082 -7.035 1.00 0.00 N ATOM 1461 CA VAL A 97 3.663 -7.547 -5.807 1.00 0.00 C ATOM 1462 C VAL A 97 4.831 -7.799 -4.891 1.00 0.00 C ATOM 1463 O VAL A 97 5.851 -8.317 -5.326 1.00 0.00 O ATOM 1464 CB VAL A 97 2.819 -8.806 -5.990 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.530 -9.437 -4.686 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.521 -8.462 -6.606 1.00 0.00 C ATOM 0 H VAL A 97 4.674 -7.783 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 97 2.997 -6.799 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 97 3.384 -9.489 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.928 -10.332 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.466 -9.709 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.983 -8.736 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.927 -9.367 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.986 -7.764 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.691 -8.001 -7.579 1.00 0.00 H new ATOM 1476 N TRP A 98 4.706 -7.424 -3.668 1.00 0.00 N ATOM 1477 CA TRP A 98 5.743 -7.633 -2.740 1.00 0.00 C ATOM 1478 C TRP A 98 5.184 -8.408 -1.591 1.00 0.00 C ATOM 1479 O TRP A 98 4.061 -8.096 -1.100 1.00 0.00 O ATOM 1480 CB TRP A 98 6.353 -6.328 -2.234 1.00 0.00 C ATOM 1481 CG TRP A 98 7.642 -6.583 -1.550 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.868 -6.724 -0.212 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.883 -6.791 -2.195 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.183 -7.022 0.005 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.827 -7.061 -1.201 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.285 -6.771 -3.528 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.145 -7.321 -1.496 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.598 -7.024 -3.828 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.522 -7.301 -2.815 1.00 0.00 C ATOM 0 H TRP A 98 3.879 -6.964 -3.289 1.00 0.00 H new ATOM 0 HA TRP A 98 6.545 -8.179 -3.237 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.508 -5.645 -3.069 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.662 -5.840 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.120 -6.616 0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.613 -7.188 0.915 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.574 -6.560 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.860 -7.534 -0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 10.923 -7.009 -4.858 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.550 -7.503 -3.076 1.00 0.00 H new ATOM 1500 N CYS A 99 5.921 -9.427 -1.169 1.00 0.00 N ATOM 1501 CA CYS A 99 5.541 -10.175 -0.014 1.00 0.00 C ATOM 1502 C CYS A 99 6.616 -9.996 0.975 1.00 0.00 C ATOM 1503 O CYS A 99 7.713 -10.481 0.772 1.00 0.00 O ATOM 1504 CB CYS A 99 5.311 -11.674 -0.312 1.00 0.00 C ATOM 1505 SG CYS A 99 4.974 -12.687 1.168 1.00 0.00 S ATOM 0 H CYS A 99 6.781 -9.741 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 99 4.584 -9.809 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.474 -11.771 -1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.191 -12.072 -0.818 1.00 0.00 H new ATOM 0 HG CYS A 99 5.568 -13.837 1.051 1.00 0.00 H new ATOM 1510 N TYR A 100 6.313 -9.327 2.047 1.00 0.00 N ATOM 1511 CA TYR A 100 7.336 -8.986 3.028 1.00 0.00 C ATOM 1512 C TYR A 100 7.883 -10.210 3.735 1.00 0.00 C ATOM 1513 O TYR A 100 9.035 -10.255 4.114 1.00 0.00 O ATOM 1514 CB TYR A 100 6.809 -8.016 4.067 1.00 0.00 C ATOM 1515 CG TYR A 100 6.432 -6.641 3.569 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.400 -5.731 3.162 1.00 0.00 C ATOM 1517 CD2 TYR A 100 5.113 -6.245 3.550 1.00 0.00 C ATOM 1518 CE1 TYR A 100 7.052 -4.459 2.744 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.750 -4.978 3.129 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.725 -4.088 2.727 1.00 0.00 C ATOM 1521 OH TYR A 100 5.372 -2.819 2.316 1.00 0.00 O ATOM 0 H TYR A 100 5.374 -9.001 2.277 1.00 0.00 H new ATOM 0 HA TYR A 100 8.143 -8.515 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.933 -8.462 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.565 -7.903 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.440 -6.021 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.348 -6.937 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.815 -3.761 2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.710 -4.687 3.115 1.00 0.00 H new ATOM 0 HH TYR A 100 6.023 -2.495 1.659 1.00 0.00 H new ATOM 1531 N VAL A 101 7.059 -11.212 3.883 1.00 0.00 N ATOM 1532 CA VAL A 101 7.454 -12.401 4.620 1.00 0.00 C ATOM 1533 C VAL A 101 8.192 -13.400 3.693 1.00 0.00 C ATOM 1534 O VAL A 101 8.869 -14.315 4.152 1.00 0.00 O ATOM 1535 CB VAL A 101 6.228 -13.038 5.299 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.257 -13.487 4.265 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.603 -14.166 6.253 1.00 0.00 C ATOM 0 H VAL A 101 6.111 -11.237 3.508 1.00 0.00 H new ATOM 0 HA VAL A 101 8.154 -12.117 5.405 1.00 0.00 H new ATOM 0 HB VAL A 101 5.755 -12.276 5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.391 -13.937 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.936 -12.631 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.732 -14.222 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.699 -14.578 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.124 -14.950 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.254 -13.778 7.037 1.00 0.00 H new ATOM 1547 N CYS A 102 8.045 -13.214 2.385 1.00 0.00 N ATOM 1548 CA CYS A 102 8.813 -13.991 1.425 1.00 0.00 C ATOM 1549 C CYS A 102 10.074 -13.223 1.133 1.00 0.00 C ATOM 1550 O CYS A 102 11.117 -13.794 0.824 1.00 0.00 O ATOM 1551 CB CYS A 102 8.059 -14.192 0.122 1.00 0.00 C ATOM 1552 SG CYS A 102 6.947 -15.595 0.018 1.00 0.00 S ATOM 0 H CYS A 102 7.405 -12.536 1.970 1.00 0.00 H new ATOM 0 HA CYS A 102 9.014 -14.975 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.481 -13.289 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.791 -14.283 -0.680 1.00 0.00 H new ATOM 0 HG CYS A 102 5.790 -15.200 -0.425 1.00 0.00 H new ATOM 1557 N ASP A 103 9.926 -11.908 1.244 1.00 0.00 N ATOM 1558 CA ASP A 103 10.989 -10.920 1.035 1.00 0.00 C ATOM 1559 C ASP A 103 11.429 -10.897 -0.431 1.00 0.00 C ATOM 1560 O ASP A 103 12.600 -10.758 -0.770 1.00 0.00 O ATOM 1561 CB ASP A 103 12.158 -11.156 2.013 1.00 0.00 C ATOM 1562 CG ASP A 103 13.256 -10.109 1.926 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.998 -8.920 2.240 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.396 -10.453 1.523 1.00 0.00 O ATOM 0 H ASP A 103 9.033 -11.481 1.490 1.00 0.00 H new ATOM 0 HA ASP A 103 10.597 -9.927 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.769 -11.176 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.590 -12.138 1.818 1.00 0.00 H new ATOM 1569 N ASN A 104 10.464 -10.953 -1.312 1.00 0.00 N ATOM 1570 CA ASN A 104 10.736 -10.921 -2.689 1.00 0.00 C ATOM 1571 C ASN A 104 9.504 -10.341 -3.393 1.00 0.00 C ATOM 1572 O ASN A 104 8.439 -10.091 -2.744 1.00 0.00 O ATOM 1573 CB ASN A 104 11.000 -12.334 -3.205 1.00 0.00 C ATOM 1574 CG ASN A 104 9.737 -13.123 -3.247 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.406 -13.829 -2.355 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.038 -13.002 -4.302 1.00 0.00 N ATOM 0 H ASN A 104 9.474 -11.022 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 104 11.618 -10.312 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.439 -12.287 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.725 -12.832 -2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.165 -13.521 -4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.350 -12.386 -5.053 1.00 0.00 H new ATOM 1583 N GLU A 105 9.627 -10.200 -4.704 1.00 0.00 N ATOM 1584 CA GLU A 105 8.577 -9.737 -5.560 1.00 0.00 C ATOM 1585 C GLU A 105 7.800 -10.919 -6.119 1.00 0.00 C ATOM 1586 O GLU A 105 8.407 -11.846 -6.676 1.00 0.00 O ATOM 1587 CB GLU A 105 9.211 -9.036 -6.699 1.00 0.00 C ATOM 1588 CG GLU A 105 8.213 -8.289 -7.518 1.00 0.00 C ATOM 1589 CD GLU A 105 8.800 -7.553 -8.693 1.00 0.00 C ATOM 1590 OE1 GLU A 105 8.975 -8.181 -9.748 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.049 -6.328 -8.597 1.00 0.00 O ATOM 0 H GLU A 105 10.490 -10.414 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 105 7.903 -9.088 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.965 -8.343 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.728 -9.760 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.462 -8.990 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.697 -7.574 -6.877 1.00 0.00 H new ATOM 1598 N VAL A 106 6.512 -10.879 -6.035 1.00 0.00 N ATOM 1599 CA VAL A 106 5.690 -12.009 -6.405 1.00 0.00 C ATOM 1600 C VAL A 106 5.165 -11.830 -7.808 1.00 0.00 C ATOM 1601 O VAL A 106 4.775 -10.719 -8.202 1.00 0.00 O ATOM 1602 CB VAL A 106 4.527 -12.188 -5.419 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.906 -13.574 -5.572 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.044 -11.979 -4.016 1.00 0.00 C ATOM 0 H VAL A 106 5.988 -10.067 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 106 6.306 -12.908 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 106 3.748 -11.455 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.083 -13.684 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.530 -13.694 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.660 -14.335 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.227 -12.103 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.825 -12.709 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.454 -10.973 -3.925 1.00 0.00 H new ATOM 1614 N GLN A 107 5.162 -12.917 -8.552 1.00 0.00 N ATOM 1615 CA GLN A 107 4.804 -12.929 -9.911 1.00 0.00 C ATOM 1616 C GLN A 107 3.533 -13.728 -10.040 1.00 0.00 C ATOM 1617 O GLN A 107 3.369 -14.781 -9.423 1.00 0.00 O ATOM 1618 CB GLN A 107 5.926 -13.545 -10.765 1.00 0.00 C ATOM 1619 CG GLN A 107 7.322 -13.017 -10.419 1.00 0.00 C ATOM 1620 CD GLN A 107 7.429 -11.498 -10.452 1.00 0.00 C ATOM 1621 OE1 GLN A 107 6.767 -10.820 -11.238 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.204 -10.962 -9.555 1.00 0.00 N ATOM 0 H GLN A 107 5.421 -13.836 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 107 4.649 -11.912 -10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.915 -14.628 -10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.722 -13.345 -11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.598 -13.370 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.044 -13.438 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.737 -11.557 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.278 -9.947 -9.486 1.00 0.00 H new ATOM 1631 N TYR A 108 2.671 -13.206 -10.793 1.00 0.00 N ATOM 1632 CA TYR A 108 1.325 -13.720 -10.995 1.00 0.00 C ATOM 1633 C TYR A 108 0.918 -13.691 -12.464 1.00 0.00 C ATOM 1634 O TYR A 108 1.707 -13.329 -13.336 1.00 0.00 O ATOM 1635 CB TYR A 108 0.353 -12.855 -10.182 1.00 0.00 C ATOM 1636 CG TYR A 108 0.590 -11.376 -10.370 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.030 -10.683 -11.427 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.411 -10.694 -9.502 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.281 -9.348 -11.604 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.681 -9.376 -9.670 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.111 -8.692 -10.727 1.00 0.00 C ATOM 1642 OH TYR A 108 1.393 -7.359 -10.923 1.00 0.00 O ATOM 0 H TYR A 108 2.858 -12.361 -11.332 1.00 0.00 H new ATOM 0 HA TYR A 108 1.298 -14.759 -10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.670 -13.094 -10.473 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.450 -13.103 -9.125 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.614 -11.201 -12.122 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.850 -11.220 -8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.170 -8.815 -12.427 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.337 -8.864 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 108 1.994 -7.044 -10.215 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.635 -16.844 -11.393 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.341 -16.648 -9.991 1.00 0.00 C ATOM 1687 C ASN A 112 -4.358 -15.685 -9.442 1.00 0.00 C ATOM 1688 O ASN A 112 -4.708 -14.720 -10.115 1.00 0.00 O ATOM 1689 CB ASN A 112 -1.931 -16.036 -9.779 1.00 0.00 C ATOM 1690 CG ASN A 112 -0.780 -16.883 -10.270 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -0.374 -16.774 -11.416 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -0.225 -17.676 -9.415 1.00 0.00 N ATOM 0 HA ASN A 112 -3.373 -17.614 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.892 -15.071 -10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.792 -15.845 -8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 112 0.581 -18.238 -9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.593 -17.740 -8.466 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.836 -15.928 -8.244 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.775 -15.022 -7.573 1.00 0.00 C ATOM 1701 C GLN A 113 -5.104 -13.669 -7.394 1.00 0.00 C ATOM 1702 O GLN A 113 -5.751 -12.630 -7.423 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.138 -15.557 -6.195 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.090 -14.658 -5.422 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.936 -14.728 -3.913 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -7.896 -14.573 -3.190 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -5.731 -14.894 -3.423 1.00 0.00 N ATOM 0 H GLN A 113 -4.593 -16.754 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.677 -14.937 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.591 -16.542 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.225 -15.689 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.938 -13.627 -5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.114 -14.925 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.938 -15.023 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -5.587 -14.894 -2.413 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.797 -13.701 -7.237 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.008 -12.523 -7.095 1.00 0.00 C ATOM 1718 C LEU A 114 -3.090 -11.703 -8.358 1.00 0.00 C ATOM 1719 O LEU A 114 -3.318 -10.508 -8.307 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.571 -12.941 -6.821 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.567 -11.833 -6.620 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.988 -10.938 -5.472 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.789 -12.425 -6.357 1.00 0.00 C ATOM 0 H LEU A 114 -3.257 -14.566 -7.206 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.375 -11.914 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.564 -13.571 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.233 -13.559 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.521 -11.225 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.253 -10.144 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.961 -10.499 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.054 -11.527 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.514 -11.624 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.748 -13.044 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.090 -13.037 -7.207 1.00 0.00 H new ATOM 1735 N GLY A 115 -3.001 -12.380 -9.485 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.093 -11.711 -10.750 1.00 0.00 C ATOM 1737 C GLY A 115 -4.479 -11.208 -10.971 1.00 0.00 C ATOM 1738 O GLY A 115 -4.661 -10.121 -11.487 1.00 0.00 O ATOM 0 H GLY A 115 -2.866 -13.389 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.388 -10.880 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.815 -12.395 -11.552 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.466 -12.013 -10.578 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.883 -11.647 -10.642 1.00 0.00 C ATOM 1744 C GLN A 116 -7.157 -10.373 -9.897 1.00 0.00 C ATOM 1745 O GLN A 116 -7.800 -9.446 -10.421 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.739 -12.766 -10.030 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.672 -14.037 -10.810 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.587 -15.143 -10.300 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.030 -16.099 -9.613 1.00 0.00 O flip ATOM 1750 NE2 GLN A 116 -9.765 -15.196 -10.642 1.00 0.00 N flip ATOM 0 H GLN A 116 -5.304 -12.947 -10.202 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.138 -11.502 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.407 -12.954 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.776 -12.434 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.925 -13.824 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.644 -14.400 -10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.175 -14.432 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.334 -16.004 -10.388 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.615 -10.291 -8.722 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.871 -9.159 -7.887 1.00 0.00 C ATOM 1761 C VAL A 117 -6.087 -7.967 -8.317 1.00 0.00 C ATOM 1762 O VAL A 117 -6.633 -6.909 -8.413 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.754 -9.445 -6.383 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.569 -8.174 -5.573 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -8.013 -10.112 -5.956 1.00 0.00 C ATOM 0 H VAL A 117 -5.994 -10.993 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.924 -8.919 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.880 -10.073 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.491 -8.425 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.659 -7.667 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.424 -7.516 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.965 -10.331 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.859 -9.453 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.139 -11.041 -6.512 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.815 -8.136 -8.594 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.003 -7.029 -9.131 1.00 0.00 C ATOM 1777 C VAL A 118 -4.625 -6.472 -10.392 1.00 0.00 C ATOM 1778 O VAL A 118 -4.649 -5.277 -10.593 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.536 -7.439 -9.418 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.769 -6.308 -10.101 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.825 -7.817 -8.141 1.00 0.00 C ATOM 0 H VAL A 118 -4.310 -9.012 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.984 -6.263 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.566 -8.301 -10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.743 -6.626 -10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.252 -6.060 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.764 -5.430 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.797 -8.101 -8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.825 -6.967 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.339 -8.657 -7.673 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.205 -7.339 -11.181 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.877 -6.934 -12.420 1.00 0.00 C ATOM 1793 C ASP A 119 -7.102 -6.110 -12.062 1.00 0.00 C ATOM 1794 O ASP A 119 -7.317 -5.010 -12.587 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.302 -8.163 -13.214 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.043 -7.824 -14.480 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.441 -7.239 -15.407 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.241 -8.139 -14.566 1.00 0.00 O ATOM 0 H ASP A 119 -5.233 -8.342 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.193 -6.344 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.418 -8.750 -13.464 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.935 -8.791 -12.587 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.833 -6.606 -11.082 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.036 -5.945 -10.587 1.00 0.00 C ATOM 1805 C TYR A 120 -8.671 -4.584 -9.974 1.00 0.00 C ATOM 1806 O TYR A 120 -9.243 -3.549 -10.300 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.777 -6.870 -9.575 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.604 -6.162 -8.532 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.793 -5.531 -8.841 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.159 -6.118 -7.220 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.504 -4.865 -7.876 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.865 -5.470 -6.252 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.039 -4.833 -6.584 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.742 -4.134 -5.631 1.00 0.00 O ATOM 0 H TYR A 120 -7.613 -7.479 -10.603 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.720 -5.757 -11.414 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.428 -7.543 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.038 -7.490 -9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.167 -5.562 -9.854 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.232 -6.608 -6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.428 -4.367 -8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.507 -5.456 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.695 -4.139 -5.859 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.668 -4.573 -9.187 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.258 -3.391 -8.497 1.00 0.00 C ATOM 1826 C VAL A 121 -6.613 -2.422 -9.480 1.00 0.00 C ATOM 1827 O VAL A 121 -6.690 -1.204 -9.308 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.300 -3.728 -7.322 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.800 -2.495 -6.632 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.980 -4.632 -6.327 1.00 0.00 C ATOM 0 H VAL A 121 -7.092 -5.392 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.137 -2.914 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.439 -4.243 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.134 -2.779 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.258 -1.874 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.645 -1.934 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.293 -4.857 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.865 -4.135 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.274 -5.559 -6.819 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.047 -2.947 -10.531 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.506 -2.112 -11.547 1.00 0.00 C ATOM 1842 C ARG A 122 -6.641 -1.477 -12.318 1.00 0.00 C ATOM 1843 O ARG A 122 -6.487 -0.423 -12.875 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.543 -2.858 -12.454 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.650 -1.924 -13.234 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.477 -2.656 -13.832 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.855 -3.554 -14.934 1.00 0.00 N ATOM 1848 CZ ARG A 122 -1.985 -4.091 -15.802 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.698 -3.760 -15.755 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.417 -4.928 -16.729 1.00 0.00 N ATOM 0 H ARG A 122 -5.952 -3.949 -10.699 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.913 -1.327 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.928 -3.528 -11.854 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.109 -3.480 -13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.225 -1.446 -14.027 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.290 -1.131 -12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.751 -1.929 -14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.983 -3.236 -13.052 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.843 -3.783 -15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.368 -3.094 -15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.041 -4.172 -16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.408 -5.163 -16.782 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.759 -5.339 -17.391 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.789 -2.128 -12.350 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.006 -1.499 -12.891 1.00 0.00 C ATOM 1866 C LYS A 123 -9.554 -0.497 -11.888 1.00 0.00 C ATOM 1867 O LYS A 123 -10.219 0.449 -12.266 1.00 0.00 O ATOM 1868 CB LYS A 123 -10.114 -2.536 -13.135 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.726 -3.724 -13.973 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.257 -3.311 -15.331 1.00 0.00 C ATOM 1871 CE LYS A 123 -8.847 -4.520 -16.156 1.00 0.00 C ATOM 1872 NZ LYS A 123 -8.341 -4.155 -17.499 1.00 0.00 N ATOM 0 H LYS A 123 -7.917 -3.083 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.730 -1.020 -13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.467 -2.896 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.955 -2.035 -13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.937 -4.283 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.579 -4.395 -14.071 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.051 -2.768 -15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -8.413 -2.628 -15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.076 -5.074 -15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -9.702 -5.187 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.077 -5.017 -18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.083 -3.650 -18.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.507 -3.541 -17.401 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.270 -0.715 -10.600 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.800 0.191 -9.564 1.00 0.00 C ATOM 1888 C GLN A 124 -9.072 1.491 -9.590 1.00 0.00 C ATOM 1889 O GLN A 124 -9.670 2.574 -9.576 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.726 -0.375 -8.143 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.568 -1.600 -7.895 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.751 -1.705 -8.801 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.834 -1.209 -8.510 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.546 -2.386 -9.873 1.00 0.00 N ATOM 0 H GLN A 124 -8.696 -1.483 -10.253 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.854 0.322 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.687 -0.617 -7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.030 0.403 -7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.948 -2.488 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.912 -1.591 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.622 -2.775 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.308 -2.537 -10.535 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.775 1.375 -9.603 1.00 0.00 N ATOM 1904 CA ALA A 125 -6.908 2.499 -9.643 1.00 0.00 C ATOM 1905 C ALA A 125 -6.892 3.072 -11.037 1.00 0.00 C ATOM 1906 O ALA A 125 -7.007 4.276 -11.215 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.531 2.074 -9.183 1.00 0.00 C ATOM 0 H ALA A 125 -7.290 0.478 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.259 3.283 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.858 2.931 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.590 1.691 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.152 1.293 -9.843 1.00 0.00 H new ATOM 1913 N SER A 126 -6.816 2.171 -12.007 1.00 0.00 N ATOM 1914 CA SER A 126 -6.841 2.457 -13.441 1.00 0.00 C ATOM 1915 C SER A 126 -5.778 3.462 -13.906 1.00 0.00 C ATOM 1916 O SER A 126 -5.974 4.692 -13.787 1.00 0.00 O ATOM 1917 CB SER A 126 -8.275 2.735 -13.956 1.00 0.00 C ATOM 1918 OG SER A 126 -8.944 3.728 -13.169 1.00 0.00 O ATOM 1919 OXT SER A 126 -4.709 3.012 -14.369 1.00 0.00 O ATOM 0 H SER A 126 -6.731 1.174 -11.810 1.00 0.00 H new ATOM 0 HA SER A 126 -6.530 1.538 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.230 3.065 -14.994 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.852 1.810 -13.940 1.00 0.00 H new ATOM 0 HG SER A 126 -8.298 4.405 -12.879 1.00 0.00 H new