USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -130:sc= 0.533 USER MOD Set 1.2: A 78 GLN : amide:sc= -4.57! C(o=-4!,f=-5.8!) USER MOD Set 2.1: A 30 THR OG1 : rot 150:sc= 0.85 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -177:sc= 0.343 (180deg=-0.79) USER MOD Set 3.1: A 32 CYS SG : rot -130:sc= -0.304 USER MOD Set 3.2: A 35 CYS SG : rot 118:sc= 0.764! USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= -0.159 (180deg=-0.82) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -0.172 (180deg=-1.06) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.95! C(o=-3!,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -121:sc= 0.00948 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.242 K(o=0.24,f=-5!) USER MOD Single : A 44 SER OG : rot 2:sc= 0.48! USER MOD Single : A 46 SER OG : rot 105:sc= 0.0538 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.86) USER MOD Single : A 62 CYS SG : rot -82:sc= 1.08 USER MOD Single : A 63 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0222 (180deg=-0.384) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0696 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 76 THR OG1 : rot 104:sc= 1.16 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0138 (180deg=-0.159) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc=-0.00912 (180deg=-0.105) USER MOD Single : A 84 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.77! K(o=-6.8!,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= -0.0292 (180deg=-0.253) USER MOD Single : A 100 THR OG1 : rot 86:sc= 0.465 USER MOD Single : A 102 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.667 -0.157 8.614 1.00 0.45 N ATOM 21 CA VAL A 2 -3.279 -0.002 8.085 1.00 0.35 C ATOM 22 C VAL A 2 -2.331 -0.994 8.777 1.00 0.36 C ATOM 23 O VAL A 2 -2.441 -1.231 9.964 1.00 0.42 O ATOM 24 CB VAL A 2 -2.804 1.426 8.344 1.00 0.45 C ATOM 25 CG1 VAL A 2 -1.399 1.596 7.768 1.00 0.56 C ATOM 26 CG2 VAL A 2 -3.754 2.407 7.651 1.00 0.40 C ATOM 0 HA VAL A 2 -3.277 -0.206 7.014 1.00 0.35 H new ATOM 0 HB VAL A 2 -2.791 1.623 9.416 1.00 0.45 H new ATOM 0 HG11 VAL A 2 -1.052 2.613 7.949 1.00 0.56 H new ATOM 0 HG12 VAL A 2 -0.721 0.891 8.249 1.00 0.56 H new ATOM 0 HG13 VAL A 2 -1.420 1.405 6.695 1.00 0.56 H new ATOM 0 HG21 VAL A 2 -3.419 3.428 7.833 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -3.759 2.213 6.578 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -4.761 2.280 8.047 1.00 0.40 H new ATOM 36 N LYS A 3 -1.422 -1.553 8.019 1.00 0.38 N ATOM 37 CA LYS A 3 -0.463 -2.532 8.623 1.00 0.41 C ATOM 38 C LYS A 3 0.922 -2.399 7.969 1.00 0.30 C ATOM 39 O LYS A 3 1.036 -2.004 6.825 1.00 0.35 O ATOM 40 CB LYS A 3 -0.996 -3.949 8.407 1.00 0.46 C ATOM 41 CG LYS A 3 -0.009 -4.958 9.006 1.00 0.40 C ATOM 42 CD LYS A 3 -0.790 -6.085 9.687 1.00 0.67 C ATOM 43 CE LYS A 3 -1.704 -6.761 8.662 1.00 1.79 C ATOM 44 NZ LYS A 3 -3.129 -6.413 8.926 1.00 3.01 N ATOM 0 H LYS A 3 -1.301 -1.378 7.021 1.00 0.38 H new ATOM 0 HA LYS A 3 -0.366 -2.327 9.689 1.00 0.41 H new ATOM 0 HB2 LYS A 3 -1.974 -4.057 8.876 1.00 0.46 H new ATOM 0 HB3 LYS A 3 -1.130 -4.141 7.342 1.00 0.46 H new ATOM 0 HG2 LYS A 3 0.632 -5.365 8.224 1.00 0.40 H new ATOM 0 HG3 LYS A 3 0.642 -4.464 9.727 1.00 0.40 H new ATOM 0 HD2 LYS A 3 -0.101 -6.814 10.113 1.00 0.67 H new ATOM 0 HD3 LYS A 3 -1.382 -5.686 10.511 1.00 0.67 H new ATOM 0 HE2 LYS A 3 -1.427 -6.447 7.656 1.00 1.79 H new ATOM 0 HE3 LYS A 3 -1.573 -7.842 8.706 1.00 1.79 H new ATOM 0 HZ1 LYS A 3 -3.738 -7.210 8.650 1.00 3.01 H new ATOM 0 HZ2 LYS A 3 -3.256 -6.215 9.939 1.00 3.01 H new ATOM 0 HZ3 LYS A 3 -3.389 -5.571 8.373 1.00 3.01 H new ATOM 58 N GLN A 4 1.943 -2.737 8.717 1.00 0.18 N ATOM 59 CA GLN A 4 3.333 -2.637 8.169 1.00 0.12 C ATOM 60 C GLN A 4 3.852 -4.029 7.772 1.00 0.25 C ATOM 61 O GLN A 4 3.405 -5.031 8.295 1.00 0.62 O ATOM 62 CB GLN A 4 4.243 -2.042 9.244 1.00 0.12 C ATOM 63 CG GLN A 4 5.651 -1.855 8.673 1.00 0.21 C ATOM 64 CD GLN A 4 6.524 -1.139 9.704 1.00 0.58 C ATOM 65 OE1 GLN A 4 6.414 0.053 9.907 1.00 0.36 O ATOM 66 NE2 GLN A 4 7.405 -1.830 10.376 1.00 1.97 N ATOM 0 H GLN A 4 1.876 -3.076 9.677 1.00 0.18 H new ATOM 0 HA GLN A 4 3.328 -2.001 7.284 1.00 0.12 H new ATOM 0 HB2 GLN A 4 3.846 -1.085 9.583 1.00 0.12 H new ATOM 0 HB3 GLN A 4 4.276 -2.699 10.113 1.00 0.12 H new ATOM 0 HG2 GLN A 4 6.085 -2.823 8.421 1.00 0.21 H new ATOM 0 HG3 GLN A 4 5.608 -1.275 7.751 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.502 -2.832 10.210 1.00 1.97 H new ATOM 0 HE22 GLN A 4 7.996 -1.368 11.067 1.00 1.97 H new ATOM 75 N ILE A 5 4.789 -4.054 6.855 1.00 0.06 N ATOM 76 CA ILE A 5 5.357 -5.366 6.404 1.00 0.07 C ATOM 77 C ILE A 5 6.753 -5.573 7.019 1.00 0.23 C ATOM 78 O ILE A 5 7.199 -4.778 7.819 1.00 0.48 O ATOM 79 CB ILE A 5 5.465 -5.354 4.871 1.00 0.14 C ATOM 80 CG1 ILE A 5 4.121 -4.890 4.270 1.00 0.36 C ATOM 81 CG2 ILE A 5 5.822 -6.764 4.350 1.00 0.19 C ATOM 82 CD1 ILE A 5 2.974 -5.754 4.816 1.00 0.46 C ATOM 0 H ILE A 5 5.183 -3.230 6.402 1.00 0.06 H new ATOM 0 HA ILE A 5 4.707 -6.179 6.727 1.00 0.07 H new ATOM 0 HB ILE A 5 6.254 -4.665 4.570 1.00 0.14 H new ATOM 0 HG12 ILE A 5 3.946 -3.842 4.515 1.00 0.36 H new ATOM 0 HG13 ILE A 5 4.155 -4.962 3.183 1.00 0.36 H new ATOM 0 HG21 ILE A 5 5.896 -6.742 3.263 1.00 0.19 H new ATOM 0 HG22 ILE A 5 6.777 -7.077 4.772 1.00 0.19 H new ATOM 0 HG23 ILE A 5 5.046 -7.469 4.647 1.00 0.19 H new ATOM 0 HD11 ILE A 5 2.030 -5.419 4.386 1.00 0.46 H new ATOM 0 HD12 ILE A 5 3.145 -6.797 4.549 1.00 0.46 H new ATOM 0 HD13 ILE A 5 2.932 -5.660 5.901 1.00 0.46 H new ATOM 94 N GLU A 6 7.408 -6.637 6.629 1.00 0.25 N ATOM 95 CA GLU A 6 8.772 -6.907 7.183 1.00 0.40 C ATOM 96 C GLU A 6 9.706 -7.425 6.082 1.00 0.22 C ATOM 97 O GLU A 6 10.725 -6.826 5.798 1.00 0.42 O ATOM 98 CB GLU A 6 8.662 -7.953 8.292 1.00 0.84 C ATOM 99 CG GLU A 6 10.037 -8.577 8.535 1.00 1.53 C ATOM 100 CD GLU A 6 10.087 -9.154 9.952 1.00 1.75 C ATOM 101 OE1 GLU A 6 9.247 -9.997 10.224 1.00 1.97 O ATOM 102 OE2 GLU A 6 10.963 -8.720 10.683 1.00 2.31 O ATOM 0 H GLU A 6 7.063 -7.324 5.959 1.00 0.25 H new ATOM 0 HA GLU A 6 9.184 -5.980 7.582 1.00 0.40 H new ATOM 0 HB2 GLU A 6 8.292 -7.492 9.208 1.00 0.84 H new ATOM 0 HB3 GLU A 6 7.944 -8.724 8.011 1.00 0.84 H new ATOM 0 HG2 GLU A 6 10.227 -9.362 7.803 1.00 1.53 H new ATOM 0 HG3 GLU A 6 10.817 -7.827 8.408 1.00 1.53 H new ATOM 109 N SER A 7 9.336 -8.527 5.484 1.00 0.27 N ATOM 110 CA SER A 7 10.193 -9.098 4.399 1.00 0.32 C ATOM 111 C SER A 7 9.315 -9.660 3.274 1.00 0.36 C ATOM 112 O SER A 7 8.122 -9.431 3.242 1.00 0.35 O ATOM 113 CB SER A 7 11.054 -10.219 4.980 1.00 0.58 C ATOM 114 OG SER A 7 10.114 -11.172 5.450 1.00 0.77 O ATOM 0 H SER A 7 8.488 -9.053 5.695 1.00 0.27 H new ATOM 0 HA SER A 7 10.830 -8.312 3.992 1.00 0.32 H new ATOM 0 HB2 SER A 7 11.712 -10.648 4.224 1.00 0.58 H new ATOM 0 HB3 SER A 7 11.690 -9.855 5.787 1.00 0.58 H new ATOM 0 HG SER A 7 10.589 -11.934 5.842 1.00 0.77 H new ATOM 120 N LYS A 8 9.925 -10.384 2.375 1.00 0.40 N ATOM 121 CA LYS A 8 9.139 -10.966 1.247 1.00 0.44 C ATOM 122 C LYS A 8 8.179 -12.026 1.773 1.00 0.42 C ATOM 123 O LYS A 8 6.988 -11.968 1.538 1.00 0.39 O ATOM 124 CB LYS A 8 10.101 -11.597 0.240 1.00 0.43 C ATOM 125 CG LYS A 8 9.310 -12.083 -0.978 1.00 0.50 C ATOM 126 CD LYS A 8 10.278 -12.694 -1.991 1.00 0.85 C ATOM 127 CE LYS A 8 9.499 -13.617 -2.930 1.00 0.81 C ATOM 128 NZ LYS A 8 8.918 -14.761 -2.174 1.00 1.15 N ATOM 0 H LYS A 8 10.923 -10.597 2.371 1.00 0.40 H new ATOM 0 HA LYS A 8 8.563 -10.178 0.762 1.00 0.44 H new ATOM 0 HB2 LYS A 8 10.853 -10.870 -0.067 1.00 0.43 H new ATOM 0 HB3 LYS A 8 10.632 -12.431 0.700 1.00 0.43 H new ATOM 0 HG2 LYS A 8 8.568 -12.821 -0.674 1.00 0.50 H new ATOM 0 HG3 LYS A 8 8.767 -11.253 -1.430 1.00 0.50 H new ATOM 0 HD2 LYS A 8 10.773 -11.907 -2.561 1.00 0.85 H new ATOM 0 HD3 LYS A 8 11.059 -13.253 -1.476 1.00 0.85 H new ATOM 0 HE2 LYS A 8 8.704 -13.057 -3.422 1.00 0.81 H new ATOM 0 HE3 LYS A 8 10.159 -13.989 -3.714 1.00 0.81 H new ATOM 0 HZ1 LYS A 8 8.852 -15.591 -2.797 1.00 1.15 H new ATOM 0 HZ2 LYS A 8 9.527 -14.985 -1.361 1.00 1.15 H new ATOM 0 HZ3 LYS A 8 7.968 -14.506 -1.835 1.00 1.15 H new ATOM 142 N THR A 9 8.719 -12.973 2.472 1.00 0.46 N ATOM 143 CA THR A 9 7.858 -14.049 3.031 1.00 0.44 C ATOM 144 C THR A 9 6.662 -13.425 3.737 1.00 0.41 C ATOM 145 O THR A 9 5.574 -13.966 3.736 1.00 0.37 O ATOM 146 CB THR A 9 8.671 -14.873 4.031 1.00 0.50 C ATOM 147 OG1 THR A 9 9.753 -15.405 3.272 1.00 0.56 O ATOM 148 CG2 THR A 9 7.889 -16.087 4.526 1.00 0.53 C ATOM 0 H THR A 9 9.714 -13.053 2.682 1.00 0.46 H new ATOM 0 HA THR A 9 7.505 -14.694 2.226 1.00 0.44 H new ATOM 0 HB THR A 9 8.951 -14.252 4.881 1.00 0.50 H new ATOM 0 HG1 THR A 9 10.324 -15.949 3.854 1.00 0.56 H new ATOM 0 HG21 THR A 9 8.498 -16.648 5.234 1.00 0.53 H new ATOM 0 HG22 THR A 9 6.974 -15.755 5.017 1.00 0.53 H new ATOM 0 HG23 THR A 9 7.635 -16.726 3.680 1.00 0.53 H new ATOM 156 N ALA A 10 6.897 -12.292 4.319 1.00 0.47 N ATOM 157 CA ALA A 10 5.807 -11.586 5.034 1.00 0.50 C ATOM 158 C ALA A 10 4.843 -10.954 4.031 1.00 0.47 C ATOM 159 O ALA A 10 3.657 -11.222 4.051 1.00 0.46 O ATOM 160 CB ALA A 10 6.412 -10.492 5.902 1.00 0.62 C ATOM 0 H ALA A 10 7.801 -11.820 4.331 1.00 0.47 H new ATOM 0 HA ALA A 10 5.261 -12.299 5.652 1.00 0.50 H new ATOM 0 HB1 ALA A 10 5.617 -9.967 6.432 1.00 0.62 H new ATOM 0 HB2 ALA A 10 7.097 -10.937 6.624 1.00 0.62 H new ATOM 0 HB3 ALA A 10 6.956 -9.787 5.273 1.00 0.62 H new ATOM 166 N PHE A 11 5.374 -10.122 3.175 1.00 0.47 N ATOM 167 CA PHE A 11 4.506 -9.462 2.160 1.00 0.46 C ATOM 168 C PHE A 11 3.553 -10.488 1.546 1.00 0.47 C ATOM 169 O PHE A 11 2.442 -10.168 1.180 1.00 0.45 O ATOM 170 CB PHE A 11 5.387 -8.863 1.064 1.00 0.47 C ATOM 171 CG PHE A 11 4.505 -8.152 0.034 1.00 0.46 C ATOM 172 CD1 PHE A 11 3.812 -7.004 0.375 1.00 0.46 C ATOM 173 CD2 PHE A 11 4.389 -8.649 -1.255 1.00 0.46 C ATOM 174 CE1 PHE A 11 3.018 -6.364 -0.555 1.00 0.47 C ATOM 175 CE2 PHE A 11 3.594 -8.006 -2.182 1.00 0.47 C ATOM 176 CZ PHE A 11 2.910 -6.865 -1.832 1.00 0.48 C ATOM 0 H PHE A 11 6.362 -9.873 3.135 1.00 0.47 H new ATOM 0 HA PHE A 11 3.922 -8.675 2.637 1.00 0.46 H new ATOM 0 HB2 PHE A 11 6.098 -8.160 1.498 1.00 0.47 H new ATOM 0 HB3 PHE A 11 5.969 -9.648 0.581 1.00 0.47 H new ATOM 0 HD1 PHE A 11 3.893 -6.606 1.376 1.00 0.46 H new ATOM 0 HD2 PHE A 11 4.924 -9.544 -1.535 1.00 0.46 H new ATOM 0 HE1 PHE A 11 2.481 -5.468 -0.280 1.00 0.47 H new ATOM 0 HE2 PHE A 11 3.509 -8.399 -3.184 1.00 0.47 H new ATOM 0 HZ PHE A 11 2.289 -6.363 -2.559 1.00 0.48 H new ATOM 186 N GLN A 12 4.013 -11.702 1.447 1.00 0.54 N ATOM 187 CA GLN A 12 3.149 -12.768 0.855 1.00 0.57 C ATOM 188 C GLN A 12 2.093 -13.210 1.866 1.00 0.53 C ATOM 189 O GLN A 12 0.950 -13.438 1.523 1.00 0.43 O ATOM 190 CB GLN A 12 4.025 -13.963 0.460 1.00 0.70 C ATOM 191 CG GLN A 12 3.143 -15.193 0.205 1.00 1.28 C ATOM 192 CD GLN A 12 1.936 -14.791 -0.645 1.00 1.82 C ATOM 193 OE1 GLN A 12 2.066 -14.121 -1.650 1.00 1.77 O ATOM 194 NE2 GLN A 12 0.746 -15.180 -0.279 1.00 2.94 N ATOM 0 H GLN A 12 4.940 -12.004 1.746 1.00 0.54 H new ATOM 0 HA GLN A 12 2.644 -12.376 -0.028 1.00 0.57 H new ATOM 0 HB2 GLN A 12 4.599 -13.724 -0.435 1.00 0.70 H new ATOM 0 HB3 GLN A 12 4.743 -14.177 1.252 1.00 0.70 H new ATOM 0 HG2 GLN A 12 3.718 -15.966 -0.304 1.00 1.28 H new ATOM 0 HG3 GLN A 12 2.809 -15.616 1.152 1.00 1.28 H new ATOM 0 HE21 GLN A 12 0.630 -15.743 0.564 1.00 2.94 H new ATOM 0 HE22 GLN A 12 -0.069 -14.921 -0.836 1.00 2.94 H new ATOM 203 N GLU A 13 2.504 -13.319 3.090 1.00 0.66 N ATOM 204 CA GLU A 13 1.551 -13.749 4.154 1.00 0.67 C ATOM 205 C GLU A 13 0.482 -12.675 4.379 1.00 0.59 C ATOM 206 O GLU A 13 -0.674 -12.982 4.593 1.00 0.57 O ATOM 207 CB GLU A 13 2.323 -13.974 5.453 1.00 0.78 C ATOM 208 CG GLU A 13 3.181 -15.233 5.315 1.00 0.77 C ATOM 209 CD GLU A 13 2.527 -16.378 6.090 1.00 1.09 C ATOM 210 OE1 GLU A 13 1.417 -16.719 5.718 1.00 1.94 O ATOM 211 OE2 GLU A 13 3.175 -16.846 7.012 1.00 1.64 O ATOM 0 H GLU A 13 3.455 -13.131 3.406 1.00 0.66 H new ATOM 0 HA GLU A 13 1.062 -14.672 3.843 1.00 0.67 H new ATOM 0 HB2 GLU A 13 2.953 -13.112 5.670 1.00 0.78 H new ATOM 0 HB3 GLU A 13 1.631 -14.081 6.288 1.00 0.78 H new ATOM 0 HG2 GLU A 13 3.285 -15.503 4.264 1.00 0.77 H new ATOM 0 HG3 GLU A 13 4.185 -15.047 5.697 1.00 0.77 H new ATOM 218 N ALA A 14 0.891 -11.438 4.324 1.00 0.58 N ATOM 219 CA ALA A 14 -0.091 -10.335 4.537 1.00 0.53 C ATOM 220 C ALA A 14 -1.226 -10.439 3.518 1.00 0.47 C ATOM 221 O ALA A 14 -2.386 -10.337 3.862 1.00 0.43 O ATOM 222 CB ALA A 14 0.620 -8.992 4.376 1.00 0.51 C ATOM 0 H ALA A 14 1.851 -11.144 4.143 1.00 0.58 H new ATOM 0 HA ALA A 14 -0.509 -10.414 5.541 1.00 0.53 H new ATOM 0 HB1 ALA A 14 -0.093 -8.182 4.531 1.00 0.51 H new ATOM 0 HB2 ALA A 14 1.422 -8.915 5.110 1.00 0.51 H new ATOM 0 HB3 ALA A 14 1.039 -8.920 3.372 1.00 0.51 H new ATOM 228 N LEU A 15 -0.866 -10.641 2.282 1.00 0.51 N ATOM 229 CA LEU A 15 -1.910 -10.758 1.227 1.00 0.47 C ATOM 230 C LEU A 15 -2.676 -12.072 1.394 1.00 0.47 C ATOM 231 O LEU A 15 -3.717 -12.269 0.800 1.00 0.45 O ATOM 232 CB LEU A 15 -1.239 -10.721 -0.148 1.00 0.49 C ATOM 233 CG LEU A 15 -0.412 -9.435 -0.274 1.00 0.50 C ATOM 234 CD1 LEU A 15 0.272 -9.409 -1.639 1.00 0.57 C ATOM 235 CD2 LEU A 15 -1.330 -8.216 -0.154 1.00 0.59 C ATOM 0 H LEU A 15 0.097 -10.730 1.958 1.00 0.51 H new ATOM 0 HA LEU A 15 -2.611 -9.928 1.316 1.00 0.47 H new ATOM 0 HB2 LEU A 15 -0.598 -11.593 -0.276 1.00 0.49 H new ATOM 0 HB3 LEU A 15 -1.993 -10.761 -0.934 1.00 0.49 H new ATOM 0 HG LEU A 15 0.335 -9.408 0.519 1.00 0.50 H new ATOM 0 HD11 LEU A 15 0.861 -8.497 -1.733 1.00 0.57 H new ATOM 0 HD12 LEU A 15 0.927 -10.275 -1.734 1.00 0.57 H new ATOM 0 HD13 LEU A 15 -0.483 -9.436 -2.425 1.00 0.57 H new ATOM 0 HD21 LEU A 15 -0.739 -7.305 -0.244 1.00 0.59 H new ATOM 0 HD22 LEU A 15 -2.077 -8.244 -0.947 1.00 0.59 H new ATOM 0 HD23 LEU A 15 -1.829 -8.230 0.815 1.00 0.59 H new ATOM 247 N ASP A 16 -2.142 -12.942 2.202 1.00 0.52 N ATOM 248 CA ASP A 16 -2.824 -14.250 2.429 1.00 0.56 C ATOM 249 C ASP A 16 -3.693 -14.179 3.685 1.00 0.60 C ATOM 250 O ASP A 16 -4.583 -14.984 3.875 1.00 0.66 O ATOM 251 CB ASP A 16 -1.771 -15.344 2.593 1.00 0.63 C ATOM 252 CG ASP A 16 -2.466 -16.703 2.702 1.00 0.62 C ATOM 253 OD1 ASP A 16 -3.673 -16.709 2.526 1.00 0.97 O ATOM 254 OD2 ASP A 16 -1.750 -17.658 2.955 1.00 1.53 O ATOM 0 H ASP A 16 -1.269 -12.808 2.713 1.00 0.52 H new ATOM 0 HA ASP A 16 -3.460 -14.477 1.574 1.00 0.56 H new ATOM 0 HB2 ASP A 16 -1.089 -15.339 1.743 1.00 0.63 H new ATOM 0 HB3 ASP A 16 -1.171 -15.157 3.484 1.00 0.63 H new ATOM 259 N ALA A 17 -3.412 -13.212 4.512 1.00 0.60 N ATOM 260 CA ALA A 17 -4.208 -13.056 5.768 1.00 0.66 C ATOM 261 C ALA A 17 -5.222 -11.924 5.599 1.00 0.63 C ATOM 262 O ALA A 17 -6.011 -11.652 6.483 1.00 0.71 O ATOM 263 CB ALA A 17 -3.262 -12.722 6.919 1.00 0.72 C ATOM 0 H ALA A 17 -2.671 -12.525 4.377 1.00 0.60 H new ATOM 0 HA ALA A 17 -4.739 -13.984 5.982 1.00 0.66 H new ATOM 0 HB1 ALA A 17 -3.835 -12.607 7.839 1.00 0.72 H new ATOM 0 HB2 ALA A 17 -2.538 -13.528 7.041 1.00 0.72 H new ATOM 0 HB3 ALA A 17 -2.736 -11.793 6.700 1.00 0.72 H new ATOM 269 N ALA A 18 -5.179 -11.291 4.460 1.00 0.53 N ATOM 270 CA ALA A 18 -6.122 -10.165 4.205 1.00 0.53 C ATOM 271 C ALA A 18 -7.401 -10.681 3.537 1.00 0.53 C ATOM 272 O ALA A 18 -8.247 -9.909 3.138 1.00 0.51 O ATOM 273 CB ALA A 18 -5.444 -9.153 3.286 1.00 0.53 C ATOM 0 H ALA A 18 -4.535 -11.503 3.698 1.00 0.53 H new ATOM 0 HA ALA A 18 -6.387 -9.696 5.153 1.00 0.53 H new ATOM 0 HB1 ALA A 18 -6.125 -8.324 3.092 1.00 0.53 H new ATOM 0 HB2 ALA A 18 -4.540 -8.776 3.764 1.00 0.53 H new ATOM 0 HB3 ALA A 18 -5.182 -9.635 2.344 1.00 0.53 H new ATOM 279 N GLY A 19 -7.515 -11.976 3.433 1.00 0.56 N ATOM 280 CA GLY A 19 -8.730 -12.550 2.792 1.00 0.56 C ATOM 281 C GLY A 19 -8.710 -12.288 1.285 1.00 0.54 C ATOM 282 O GLY A 19 -7.762 -12.633 0.606 1.00 0.70 O ATOM 0 H GLY A 19 -6.828 -12.655 3.760 1.00 0.56 H new ATOM 0 HA2 GLY A 19 -8.777 -13.623 2.981 1.00 0.56 H new ATOM 0 HA3 GLY A 19 -9.624 -12.110 3.233 1.00 0.56 H new ATOM 286 N ASP A 20 -9.763 -11.680 0.794 1.00 0.45 N ATOM 287 CA ASP A 20 -9.833 -11.381 -0.673 1.00 0.44 C ATOM 288 C ASP A 20 -10.233 -9.919 -0.904 1.00 0.41 C ATOM 289 O ASP A 20 -10.095 -9.404 -1.996 1.00 0.38 O ATOM 290 CB ASP A 20 -10.872 -12.297 -1.320 1.00 0.49 C ATOM 291 CG ASP A 20 -11.708 -12.965 -0.229 1.00 1.42 C ATOM 292 OD1 ASP A 20 -12.593 -12.288 0.267 1.00 2.11 O ATOM 293 OD2 ASP A 20 -11.416 -14.118 0.046 1.00 2.18 O ATOM 0 H ASP A 20 -10.571 -11.380 1.339 1.00 0.45 H new ATOM 0 HA ASP A 20 -8.852 -11.551 -1.117 1.00 0.44 H new ATOM 0 HB2 ASP A 20 -11.515 -11.722 -1.986 1.00 0.49 H new ATOM 0 HB3 ASP A 20 -10.377 -13.054 -1.929 1.00 0.49 H new ATOM 298 N LYS A 21 -10.721 -9.282 0.126 1.00 0.43 N ATOM 299 CA LYS A 21 -11.129 -7.855 -0.027 1.00 0.40 C ATOM 300 C LYS A 21 -10.039 -7.081 -0.773 1.00 0.31 C ATOM 301 O LYS A 21 -8.955 -7.587 -0.988 1.00 0.30 O ATOM 302 CB LYS A 21 -11.332 -7.238 1.358 1.00 0.41 C ATOM 303 CG LYS A 21 -12.430 -8.005 2.099 1.00 0.50 C ATOM 304 CD LYS A 21 -12.042 -8.129 3.575 1.00 0.63 C ATOM 305 CE LYS A 21 -13.173 -8.826 4.335 1.00 0.67 C ATOM 306 NZ LYS A 21 -12.625 -9.633 5.461 1.00 1.70 N ATOM 0 H LYS A 21 -10.854 -9.681 1.055 1.00 0.43 H new ATOM 0 HA LYS A 21 -12.058 -7.803 -0.594 1.00 0.40 H new ATOM 0 HB2 LYS A 21 -10.402 -7.274 1.925 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -11.607 -6.187 1.264 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.383 -7.485 2.003 1.00 0.50 H new ATOM 0 HG3 LYS A 21 -12.561 -8.994 1.660 1.00 0.50 H new ATOM 0 HD2 LYS A 21 -11.117 -8.697 3.674 1.00 0.63 H new ATOM 0 HD3 LYS A 21 -11.857 -7.142 3.999 1.00 0.63 H new ATOM 0 HE2 LYS A 21 -13.873 -8.084 4.719 1.00 0.67 H new ATOM 0 HE3 LYS A 21 -13.732 -9.470 3.656 1.00 0.67 H new ATOM 0 HZ1 LYS A 21 -13.406 -10.099 5.966 1.00 1.70 H new ATOM 0 HZ2 LYS A 21 -11.975 -10.354 5.087 1.00 1.70 H new ATOM 0 HZ3 LYS A 21 -12.111 -9.010 6.117 1.00 1.70 H new ATOM 320 N LEU A 22 -10.343 -5.871 -1.153 1.00 0.35 N ATOM 321 CA LEU A 22 -9.324 -5.062 -1.881 1.00 0.29 C ATOM 322 C LEU A 22 -8.119 -4.823 -0.968 1.00 0.17 C ATOM 323 O LEU A 22 -8.277 -4.508 0.196 1.00 0.14 O ATOM 324 CB LEU A 22 -9.952 -3.724 -2.296 1.00 0.32 C ATOM 325 CG LEU A 22 -8.908 -2.853 -3.014 1.00 1.04 C ATOM 326 CD1 LEU A 22 -8.402 -3.583 -4.261 1.00 1.64 C ATOM 327 CD2 LEU A 22 -9.566 -1.538 -3.440 1.00 1.42 C ATOM 0 H LEU A 22 -11.240 -5.412 -0.994 1.00 0.35 H new ATOM 0 HA LEU A 22 -8.990 -5.593 -2.772 1.00 0.29 H new ATOM 0 HB2 LEU A 22 -10.804 -3.901 -2.953 1.00 0.32 H new ATOM 0 HB3 LEU A 22 -10.330 -3.202 -1.417 1.00 0.32 H new ATOM 0 HG LEU A 22 -8.073 -2.655 -2.342 1.00 1.04 H new ATOM 0 HD11 LEU A 22 -7.662 -2.965 -4.769 1.00 1.64 H new ATOM 0 HD12 LEU A 22 -7.946 -4.529 -3.969 1.00 1.64 H new ATOM 0 HD13 LEU A 22 -9.238 -3.776 -4.934 1.00 1.64 H new ATOM 0 HD21 LEU A 22 -8.833 -0.913 -3.950 1.00 1.42 H new ATOM 0 HD22 LEU A 22 -10.396 -1.748 -4.114 1.00 1.42 H new ATOM 0 HD23 LEU A 22 -9.938 -1.015 -2.559 1.00 1.42 H new ATOM 339 N VAL A 23 -6.938 -4.977 -1.519 1.00 0.18 N ATOM 340 CA VAL A 23 -5.703 -4.774 -0.698 1.00 0.12 C ATOM 341 C VAL A 23 -4.762 -3.786 -1.388 1.00 0.09 C ATOM 342 O VAL A 23 -4.146 -4.107 -2.385 1.00 0.19 O ATOM 343 CB VAL A 23 -4.995 -6.121 -0.536 1.00 0.20 C ATOM 344 CG1 VAL A 23 -4.273 -6.155 0.809 1.00 0.39 C ATOM 345 CG2 VAL A 23 -6.033 -7.243 -0.579 1.00 0.07 C ATOM 0 H VAL A 23 -6.777 -5.232 -2.493 1.00 0.18 H new ATOM 0 HA VAL A 23 -5.979 -4.371 0.277 1.00 0.12 H new ATOM 0 HB VAL A 23 -4.273 -6.255 -1.342 1.00 0.20 H new ATOM 0 HG11 VAL A 23 -3.768 -7.114 0.927 1.00 0.39 H new ATOM 0 HG12 VAL A 23 -3.538 -5.351 0.848 1.00 0.39 H new ATOM 0 HG13 VAL A 23 -4.997 -6.025 1.614 1.00 0.39 H new ATOM 0 HG21 VAL A 23 -5.534 -8.205 -0.464 1.00 0.07 H new ATOM 0 HG22 VAL A 23 -6.750 -7.107 0.231 1.00 0.07 H new ATOM 0 HG23 VAL A 23 -6.557 -7.218 -1.535 1.00 0.07 H new ATOM 355 N VAL A 24 -4.673 -2.603 -0.841 1.00 0.10 N ATOM 356 CA VAL A 24 -3.772 -1.579 -1.447 1.00 0.11 C ATOM 357 C VAL A 24 -2.458 -1.524 -0.657 1.00 0.21 C ATOM 358 O VAL A 24 -2.432 -1.849 0.515 1.00 0.59 O ATOM 359 CB VAL A 24 -4.456 -0.212 -1.394 1.00 0.18 C ATOM 360 CG1 VAL A 24 -3.537 0.826 -2.037 1.00 0.19 C ATOM 361 CG2 VAL A 24 -5.778 -0.265 -2.171 1.00 0.23 C ATOM 0 H VAL A 24 -5.180 -2.303 -0.008 1.00 0.10 H new ATOM 0 HA VAL A 24 -3.561 -1.843 -2.483 1.00 0.11 H new ATOM 0 HB VAL A 24 -4.658 0.057 -0.357 1.00 0.18 H new ATOM 0 HG11 VAL A 24 -4.015 1.805 -2.005 1.00 0.19 H new ATOM 0 HG12 VAL A 24 -2.594 0.865 -1.492 1.00 0.19 H new ATOM 0 HG13 VAL A 24 -3.346 0.550 -3.074 1.00 0.19 H new ATOM 0 HG21 VAL A 24 -6.263 0.710 -2.131 1.00 0.23 H new ATOM 0 HG22 VAL A 24 -5.579 -0.529 -3.210 1.00 0.23 H new ATOM 0 HG23 VAL A 24 -6.432 -1.014 -1.725 1.00 0.23 H new ATOM 371 N VAL A 25 -1.398 -1.115 -1.313 1.00 0.15 N ATOM 372 CA VAL A 25 -0.076 -1.039 -0.609 1.00 0.09 C ATOM 373 C VAL A 25 0.563 0.330 -0.826 1.00 0.14 C ATOM 374 O VAL A 25 0.501 0.878 -1.908 1.00 0.27 O ATOM 375 CB VAL A 25 0.869 -2.102 -1.172 1.00 0.05 C ATOM 376 CG1 VAL A 25 2.140 -2.138 -0.320 1.00 0.08 C ATOM 377 CG2 VAL A 25 0.210 -3.482 -1.132 1.00 0.15 C ATOM 0 H VAL A 25 -1.389 -0.833 -2.293 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.244 -1.203 0.455 1.00 0.09 H new ATOM 0 HB VAL A 25 1.106 -1.851 -2.206 1.00 0.05 H new ATOM 0 HG11 VAL A 25 2.820 -2.893 -0.713 1.00 0.08 H new ATOM 0 HG12 VAL A 25 2.625 -1.162 -0.349 1.00 0.08 H new ATOM 0 HG13 VAL A 25 1.881 -2.384 0.710 1.00 0.08 H new ATOM 0 HG21 VAL A 25 0.897 -4.225 -1.536 1.00 0.15 H new ATOM 0 HG22 VAL A 25 -0.036 -3.738 -0.101 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.701 -3.467 -1.730 1.00 0.15 H new ATOM 387 N ASP A 26 1.165 0.850 0.213 1.00 0.09 N ATOM 388 CA ASP A 26 1.848 2.173 0.083 1.00 0.11 C ATOM 389 C ASP A 26 3.362 1.965 0.101 1.00 0.12 C ATOM 390 O ASP A 26 3.976 1.928 1.150 1.00 0.19 O ATOM 391 CB ASP A 26 1.447 3.070 1.249 1.00 0.21 C ATOM 392 CG ASP A 26 2.215 4.391 1.156 1.00 0.28 C ATOM 393 OD1 ASP A 26 2.164 4.973 0.085 1.00 0.99 O ATOM 394 OD2 ASP A 26 2.810 4.744 2.161 1.00 1.10 O ATOM 0 H ASP A 26 1.213 0.421 1.137 1.00 0.09 H new ATOM 0 HA ASP A 26 1.554 2.644 -0.855 1.00 0.11 H new ATOM 0 HB2 ASP A 26 0.373 3.257 1.227 1.00 0.21 H new ATOM 0 HB3 ASP A 26 1.664 2.575 2.196 1.00 0.21 H new ATOM 399 N PHE A 27 3.928 1.816 -1.061 1.00 0.11 N ATOM 400 CA PHE A 27 5.400 1.611 -1.134 1.00 0.17 C ATOM 401 C PHE A 27 6.123 2.942 -0.929 1.00 0.19 C ATOM 402 O PHE A 27 6.308 3.701 -1.860 1.00 0.21 O ATOM 403 CB PHE A 27 5.751 1.030 -2.500 1.00 0.19 C ATOM 404 CG PHE A 27 5.428 -0.467 -2.507 1.00 0.20 C ATOM 405 CD1 PHE A 27 6.321 -1.378 -1.966 1.00 0.23 C ATOM 406 CD2 PHE A 27 4.239 -0.932 -3.053 1.00 0.19 C ATOM 407 CE1 PHE A 27 6.035 -2.727 -1.972 1.00 0.23 C ATOM 408 CE2 PHE A 27 3.960 -2.287 -3.055 1.00 0.19 C ATOM 409 CZ PHE A 27 4.857 -3.179 -2.515 1.00 0.22 C ATOM 0 H PHE A 27 3.441 1.827 -1.957 1.00 0.11 H new ATOM 0 HA PHE A 27 5.715 0.921 -0.351 1.00 0.17 H new ATOM 0 HB2 PHE A 27 5.187 1.540 -3.281 1.00 0.19 H new ATOM 0 HB3 PHE A 27 6.808 1.187 -2.715 1.00 0.19 H new ATOM 0 HD1 PHE A 27 7.248 -1.029 -1.536 1.00 0.23 H new ATOM 0 HD2 PHE A 27 3.531 -0.235 -3.477 1.00 0.19 H new ATOM 0 HE1 PHE A 27 6.738 -3.429 -1.549 1.00 0.23 H new ATOM 0 HE2 PHE A 27 3.035 -2.646 -3.482 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.635 -4.236 -2.518 1.00 0.22 H new ATOM 419 N SER A 28 6.517 3.198 0.291 1.00 0.22 N ATOM 420 CA SER A 28 7.221 4.482 0.574 1.00 0.27 C ATOM 421 C SER A 28 8.261 4.290 1.681 1.00 0.29 C ATOM 422 O SER A 28 8.574 3.177 2.055 1.00 0.36 O ATOM 423 CB SER A 28 6.198 5.529 1.009 1.00 0.27 C ATOM 424 OG SER A 28 5.995 5.260 2.388 1.00 0.91 O ATOM 0 H SER A 28 6.384 2.582 1.093 1.00 0.22 H new ATOM 0 HA SER A 28 7.732 4.814 -0.330 1.00 0.27 H new ATOM 0 HB2 SER A 28 6.571 6.541 0.851 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.270 5.439 0.444 1.00 0.27 H new ATOM 0 HG SER A 28 5.050 5.054 2.545 1.00 0.91 H new ATOM 430 N ALA A 29 8.772 5.389 2.180 1.00 0.27 N ATOM 431 CA ALA A 29 9.801 5.307 3.264 1.00 0.32 C ATOM 432 C ALA A 29 9.204 5.768 4.598 1.00 0.34 C ATOM 433 O ALA A 29 8.653 6.846 4.694 1.00 0.31 O ATOM 434 CB ALA A 29 10.980 6.206 2.896 1.00 0.35 C ATOM 0 H ALA A 29 8.523 6.334 1.886 1.00 0.27 H new ATOM 0 HA ALA A 29 10.135 4.275 3.367 1.00 0.32 H new ATOM 0 HB1 ALA A 29 11.736 6.154 3.680 1.00 0.35 H new ATOM 0 HB2 ALA A 29 11.412 5.872 1.952 1.00 0.35 H new ATOM 0 HB3 ALA A 29 10.635 7.235 2.793 1.00 0.35 H new ATOM 440 N THR A 30 9.329 4.941 5.603 1.00 0.45 N ATOM 441 CA THR A 30 8.772 5.319 6.936 1.00 0.50 C ATOM 442 C THR A 30 9.727 6.280 7.655 1.00 0.49 C ATOM 443 O THR A 30 9.317 7.306 8.162 1.00 0.38 O ATOM 444 CB THR A 30 8.587 4.053 7.780 1.00 0.51 C ATOM 445 OG1 THR A 30 8.006 4.509 8.996 1.00 0.50 O ATOM 446 CG2 THR A 30 9.925 3.437 8.180 1.00 0.60 C ATOM 0 H THR A 30 9.787 4.031 5.561 1.00 0.45 H new ATOM 0 HA THR A 30 7.812 5.816 6.797 1.00 0.50 H new ATOM 0 HB THR A 30 8.006 3.320 7.221 1.00 0.51 H new ATOM 0 HG1 THR A 30 7.436 3.805 9.370 1.00 0.50 H new ATOM 0 HG21 THR A 30 9.750 2.542 8.777 1.00 0.60 H new ATOM 0 HG22 THR A 30 10.486 3.171 7.284 1.00 0.60 H new ATOM 0 HG23 THR A 30 10.497 4.157 8.765 1.00 0.60 H new ATOM 454 N TRP A 31 10.977 5.924 7.677 1.00 0.75 N ATOM 455 CA TRP A 31 11.985 6.794 8.348 1.00 0.79 C ATOM 456 C TRP A 31 11.917 8.213 7.779 1.00 0.80 C ATOM 457 O TRP A 31 11.903 9.183 8.514 1.00 0.84 O ATOM 458 CB TRP A 31 13.364 6.215 8.074 1.00 0.78 C ATOM 459 CG TRP A 31 13.532 6.079 6.560 1.00 0.71 C ATOM 460 CD1 TRP A 31 13.104 5.034 5.861 1.00 0.64 C ATOM 461 CD2 TRP A 31 14.082 6.987 5.766 1.00 0.71 C ATOM 462 NE1 TRP A 31 13.417 5.346 4.596 1.00 0.60 N ATOM 463 CE2 TRP A 31 14.037 6.564 4.448 1.00 0.65 C ATOM 464 CE3 TRP A 31 14.640 8.224 6.062 1.00 0.78 C ATOM 465 CZ2 TRP A 31 14.540 7.361 3.444 1.00 0.66 C ATOM 466 CZ3 TRP A 31 15.143 9.017 5.051 1.00 0.79 C ATOM 467 CH2 TRP A 31 15.094 8.586 3.745 1.00 0.73 C ATOM 0 H TRP A 31 11.347 5.070 7.261 1.00 0.75 H new ATOM 0 HA TRP A 31 11.786 6.834 9.419 1.00 0.79 H new ATOM 0 HB2 TRP A 31 14.137 6.863 8.486 1.00 0.78 H new ATOM 0 HB3 TRP A 31 13.472 5.244 8.557 1.00 0.78 H new ATOM 0 HD1 TRP A 31 12.618 4.142 6.227 1.00 0.64 H new ATOM 0 HE1 TRP A 31 13.212 4.731 3.808 1.00 0.60 H new ATOM 0 HE3 TRP A 31 14.680 8.566 7.086 1.00 0.78 H new ATOM 0 HZ2 TRP A 31 14.500 7.025 2.418 1.00 0.66 H new ATOM 0 HZ3 TRP A 31 15.576 9.978 5.285 1.00 0.79 H new ATOM 0 HH2 TRP A 31 15.490 9.208 2.956 1.00 0.73 H new ATOM 478 N CYS A 32 11.875 8.301 6.477 1.00 0.76 N ATOM 479 CA CYS A 32 11.821 9.642 5.830 1.00 0.76 C ATOM 480 C CYS A 32 10.668 10.469 6.407 1.00 0.77 C ATOM 481 O CYS A 32 9.713 9.931 6.930 1.00 0.77 O ATOM 482 CB CYS A 32 11.620 9.465 4.329 1.00 0.71 C ATOM 483 SG CYS A 32 11.228 10.944 3.360 1.00 0.74 S ATOM 0 H CYS A 32 11.876 7.507 5.837 1.00 0.76 H new ATOM 0 HA CYS A 32 12.757 10.167 6.021 1.00 0.76 H new ATOM 0 HB2 CYS A 32 12.528 9.024 3.917 1.00 0.71 H new ATOM 0 HB3 CYS A 32 10.818 8.742 4.180 1.00 0.71 H new ATOM 0 HG CYS A 32 10.188 10.712 2.615 1.00 0.74 H new ATOM 489 N GLY A 33 10.787 11.762 6.300 1.00 0.85 N ATOM 490 CA GLY A 33 9.716 12.650 6.835 1.00 0.85 C ATOM 491 C GLY A 33 8.692 13.016 5.744 1.00 0.68 C ATOM 492 O GLY A 33 7.539 12.645 5.825 1.00 0.55 O ATOM 0 H GLY A 33 11.576 12.242 5.867 1.00 0.85 H new ATOM 0 HA2 GLY A 33 9.208 12.153 7.661 1.00 0.85 H new ATOM 0 HA3 GLY A 33 10.162 13.560 7.237 1.00 0.85 H new ATOM 496 N PRO A 34 9.143 13.745 4.738 1.00 0.71 N ATOM 497 CA PRO A 34 8.265 14.175 3.640 1.00 0.61 C ATOM 498 C PRO A 34 7.495 12.991 3.038 1.00 0.44 C ATOM 499 O PRO A 34 6.621 13.173 2.215 1.00 0.43 O ATOM 500 CB PRO A 34 9.201 14.800 2.601 1.00 0.75 C ATOM 501 CG PRO A 34 10.608 14.919 3.263 1.00 0.90 C ATOM 502 CD PRO A 34 10.545 14.182 4.613 1.00 0.88 C ATOM 0 HA PRO A 34 7.507 14.878 3.987 1.00 0.61 H new ATOM 0 HB2 PRO A 34 9.248 14.182 1.704 1.00 0.75 H new ATOM 0 HB3 PRO A 34 8.836 15.780 2.294 1.00 0.75 H new ATOM 0 HG2 PRO A 34 11.372 14.480 2.622 1.00 0.90 H new ATOM 0 HG3 PRO A 34 10.876 15.965 3.409 1.00 0.90 H new ATOM 0 HD2 PRO A 34 11.227 13.332 4.632 1.00 0.88 H new ATOM 0 HD3 PRO A 34 10.830 14.838 5.436 1.00 0.88 H new ATOM 510 N CYS A 35 7.834 11.805 3.462 1.00 0.74 N ATOM 511 CA CYS A 35 7.119 10.607 2.930 1.00 0.61 C ATOM 512 C CYS A 35 5.944 10.258 3.846 1.00 0.53 C ATOM 513 O CYS A 35 4.812 10.184 3.410 1.00 0.48 O ATOM 514 CB CYS A 35 8.084 9.430 2.871 1.00 0.70 C ATOM 515 SG CYS A 35 9.321 9.432 1.548 1.00 0.72 S ATOM 0 H CYS A 35 8.566 11.613 4.146 1.00 0.74 H new ATOM 0 HA CYS A 35 6.743 10.824 1.930 1.00 0.61 H new ATOM 0 HB2 CYS A 35 8.610 9.378 3.824 1.00 0.70 H new ATOM 0 HB3 CYS A 35 7.496 8.517 2.781 1.00 0.70 H new ATOM 0 HG CYS A 35 10.512 9.475 2.067 1.00 0.72 H new ATOM 521 N LYS A 36 6.241 10.049 5.099 1.00 0.81 N ATOM 522 CA LYS A 36 5.155 9.718 6.062 1.00 0.80 C ATOM 523 C LYS A 36 4.291 10.956 6.296 1.00 0.72 C ATOM 524 O LYS A 36 3.152 10.848 6.680 1.00 0.83 O ATOM 525 CB LYS A 36 5.778 9.245 7.378 1.00 0.99 C ATOM 526 CG LYS A 36 4.694 8.546 8.206 1.00 1.14 C ATOM 527 CD LYS A 36 5.091 8.491 9.689 1.00 1.03 C ATOM 528 CE LYS A 36 6.219 7.472 9.884 1.00 1.87 C ATOM 529 NZ LYS A 36 5.777 6.110 9.467 1.00 3.47 N ATOM 0 H LYS A 36 7.180 10.093 5.495 1.00 0.81 H new ATOM 0 HA LYS A 36 4.528 8.923 5.660 1.00 0.80 H new ATOM 0 HB2 LYS A 36 6.604 8.562 7.182 1.00 0.99 H new ATOM 0 HB3 LYS A 36 6.188 10.092 7.929 1.00 0.99 H new ATOM 0 HG2 LYS A 36 3.748 9.077 8.098 1.00 1.14 H new ATOM 0 HG3 LYS A 36 4.537 7.535 7.829 1.00 1.14 H new ATOM 0 HD2 LYS A 36 5.415 9.476 10.025 1.00 1.03 H new ATOM 0 HD3 LYS A 36 4.229 8.215 10.296 1.00 1.03 H new ATOM 0 HE2 LYS A 36 7.091 7.771 9.302 1.00 1.87 H new ATOM 0 HE3 LYS A 36 6.525 7.456 10.930 1.00 1.87 H new ATOM 0 HZ1 LYS A 36 6.537 5.426 9.654 1.00 3.47 H new ATOM 0 HZ2 LYS A 36 4.929 5.841 10.005 1.00 3.47 H new ATOM 0 HZ3 LYS A 36 5.556 6.113 8.451 1.00 3.47 H new ATOM 543 N MET A 37 4.851 12.110 6.044 1.00 0.86 N ATOM 544 CA MET A 37 4.060 13.363 6.234 1.00 0.84 C ATOM 545 C MET A 37 2.666 13.188 5.628 1.00 0.80 C ATOM 546 O MET A 37 1.678 13.608 6.195 1.00 1.06 O ATOM 547 CB MET A 37 4.777 14.518 5.539 1.00 0.86 C ATOM 548 CG MET A 37 4.736 15.754 6.438 1.00 1.23 C ATOM 549 SD MET A 37 5.748 15.725 7.939 1.00 3.27 S ATOM 550 CE MET A 37 5.361 17.399 8.506 1.00 3.24 C ATOM 0 H MET A 37 5.809 12.240 5.719 1.00 0.86 H new ATOM 0 HA MET A 37 3.964 13.577 7.299 1.00 0.84 H new ATOM 0 HB2 MET A 37 5.810 14.244 5.326 1.00 0.86 H new ATOM 0 HB3 MET A 37 4.300 14.734 4.583 1.00 0.86 H new ATOM 0 HG2 MET A 37 5.041 16.614 5.842 1.00 1.23 H new ATOM 0 HG3 MET A 37 3.700 15.922 6.733 1.00 1.23 H new ATOM 0 HE1 MET A 37 5.890 17.599 9.438 1.00 3.24 H new ATOM 0 HE2 MET A 37 5.672 18.120 7.750 1.00 3.24 H new ATOM 0 HE3 MET A 37 4.287 17.488 8.672 1.00 3.24 H new ATOM 560 N ILE A 38 2.622 12.571 4.476 1.00 0.53 N ATOM 561 CA ILE A 38 1.305 12.337 3.814 1.00 0.54 C ATOM 562 C ILE A 38 0.624 11.144 4.493 1.00 0.54 C ATOM 563 O ILE A 38 0.094 10.262 3.849 1.00 0.49 O ATOM 564 CB ILE A 38 1.534 12.046 2.316 1.00 0.52 C ATOM 565 CG1 ILE A 38 2.346 13.191 1.685 1.00 0.67 C ATOM 566 CG2 ILE A 38 0.187 11.951 1.598 1.00 0.76 C ATOM 567 CD1 ILE A 38 3.143 12.645 0.499 1.00 1.57 C ATOM 0 H ILE A 38 3.435 12.221 3.968 1.00 0.53 H new ATOM 0 HA ILE A 38 0.668 13.217 3.905 1.00 0.54 H new ATOM 0 HB ILE A 38 2.076 11.105 2.217 1.00 0.52 H new ATOM 0 HG12 ILE A 38 1.679 13.988 1.355 1.00 0.67 H new ATOM 0 HG13 ILE A 38 3.020 13.625 2.423 1.00 0.67 H new ATOM 0 HG21 ILE A 38 0.352 11.745 0.540 1.00 0.76 H new ATOM 0 HG22 ILE A 38 -0.403 11.146 2.036 1.00 0.76 H new ATOM 0 HG23 ILE A 38 -0.350 12.894 1.705 1.00 0.76 H new ATOM 0 HD11 ILE A 38 3.721 13.451 0.047 1.00 1.57 H new ATOM 0 HD12 ILE A 38 3.819 11.863 0.844 1.00 1.57 H new ATOM 0 HD13 ILE A 38 2.457 12.231 -0.240 1.00 1.57 H new ATOM 579 N LYS A 39 0.668 11.155 5.790 1.00 1.01 N ATOM 580 CA LYS A 39 0.060 10.045 6.568 1.00 1.10 C ATOM 581 C LYS A 39 -1.457 10.266 6.813 1.00 0.97 C ATOM 582 O LYS A 39 -2.232 9.344 6.674 1.00 0.83 O ATOM 583 CB LYS A 39 0.831 9.888 7.894 1.00 1.47 C ATOM 584 CG LYS A 39 -0.111 9.574 9.047 1.00 3.05 C ATOM 585 CD LYS A 39 0.729 9.221 10.279 1.00 3.18 C ATOM 586 CE LYS A 39 -0.143 9.298 11.536 1.00 4.92 C ATOM 587 NZ LYS A 39 0.699 9.142 12.757 1.00 5.24 N ATOM 0 H LYS A 39 1.101 11.889 6.350 1.00 1.01 H new ATOM 0 HA LYS A 39 0.139 9.124 5.990 1.00 1.10 H new ATOM 0 HB2 LYS A 39 1.568 9.091 7.796 1.00 1.47 H new ATOM 0 HB3 LYS A 39 1.380 10.805 8.109 1.00 1.47 H new ATOM 0 HG2 LYS A 39 -0.751 10.431 9.258 1.00 3.05 H new ATOM 0 HG3 LYS A 39 -0.767 8.744 8.785 1.00 3.05 H new ATOM 0 HD2 LYS A 39 1.144 8.219 10.173 1.00 3.18 H new ATOM 0 HD3 LYS A 39 1.571 9.907 10.366 1.00 3.18 H new ATOM 0 HE2 LYS A 39 -0.667 10.253 11.566 1.00 4.92 H new ATOM 0 HE3 LYS A 39 -0.904 8.518 11.508 1.00 4.92 H new ATOM 0 HZ1 LYS A 39 0.097 9.196 13.603 1.00 5.24 H new ATOM 0 HZ2 LYS A 39 1.179 8.220 12.732 1.00 5.24 H new ATOM 0 HZ3 LYS A 39 1.409 9.901 12.788 1.00 5.24 H new ATOM 601 N PRO A 40 -1.866 11.486 7.164 1.00 1.12 N ATOM 602 CA PRO A 40 -3.290 11.753 7.413 1.00 1.23 C ATOM 603 C PRO A 40 -4.094 11.565 6.123 1.00 0.99 C ATOM 604 O PRO A 40 -5.283 11.807 6.085 1.00 1.24 O ATOM 605 CB PRO A 40 -3.358 13.211 7.882 1.00 1.47 C ATOM 606 CG PRO A 40 -1.901 13.765 7.882 1.00 1.54 C ATOM 607 CD PRO A 40 -0.985 12.656 7.328 1.00 1.30 C ATOM 0 HA PRO A 40 -3.710 11.073 8.155 1.00 1.23 H new ATOM 0 HB2 PRO A 40 -3.993 13.799 7.219 1.00 1.47 H new ATOM 0 HB3 PRO A 40 -3.793 13.274 8.879 1.00 1.47 H new ATOM 0 HG2 PRO A 40 -1.832 14.662 7.267 1.00 1.54 H new ATOM 0 HG3 PRO A 40 -1.597 14.045 8.891 1.00 1.54 H new ATOM 0 HD2 PRO A 40 -0.538 12.950 6.379 1.00 1.30 H new ATOM 0 HD3 PRO A 40 -0.165 12.441 8.014 1.00 1.30 H new ATOM 615 N PHE A 41 -3.412 11.138 5.095 1.00 0.59 N ATOM 616 CA PHE A 41 -4.091 10.920 3.789 1.00 0.54 C ATOM 617 C PHE A 41 -4.290 9.421 3.533 1.00 0.44 C ATOM 618 O PHE A 41 -5.389 8.975 3.282 1.00 0.62 O ATOM 619 CB PHE A 41 -3.217 11.515 2.693 1.00 0.43 C ATOM 620 CG PHE A 41 -3.342 13.038 2.719 1.00 0.60 C ATOM 621 CD1 PHE A 41 -4.364 13.671 2.031 1.00 0.85 C ATOM 622 CD2 PHE A 41 -2.439 13.805 3.433 1.00 0.56 C ATOM 623 CE1 PHE A 41 -4.475 15.044 2.054 1.00 1.03 C ATOM 624 CE2 PHE A 41 -2.554 15.180 3.454 1.00 0.76 C ATOM 625 CZ PHE A 41 -3.571 15.798 2.765 1.00 0.97 C ATOM 0 H PHE A 41 -2.413 10.931 5.105 1.00 0.59 H new ATOM 0 HA PHE A 41 -5.070 11.399 3.799 1.00 0.54 H new ATOM 0 HB2 PHE A 41 -2.178 11.221 2.841 1.00 0.43 H new ATOM 0 HB3 PHE A 41 -3.522 11.130 1.720 1.00 0.43 H new ATOM 0 HD1 PHE A 41 -5.079 13.084 1.473 1.00 0.85 H new ATOM 0 HD2 PHE A 41 -1.639 13.325 3.977 1.00 0.56 H new ATOM 0 HE1 PHE A 41 -5.274 15.529 1.513 1.00 1.03 H new ATOM 0 HE2 PHE A 41 -1.844 15.772 4.013 1.00 0.76 H new ATOM 0 HZ PHE A 41 -3.660 16.874 2.782 1.00 0.97 H new ATOM 635 N PHE A 42 -3.217 8.677 3.596 1.00 0.18 N ATOM 636 CA PHE A 42 -3.325 7.203 3.360 1.00 0.10 C ATOM 637 C PHE A 42 -3.706 6.484 4.659 1.00 0.21 C ATOM 638 O PHE A 42 -4.321 5.437 4.636 1.00 0.20 O ATOM 639 CB PHE A 42 -1.977 6.678 2.864 1.00 0.22 C ATOM 640 CG PHE A 42 -2.103 5.190 2.520 1.00 0.17 C ATOM 641 CD1 PHE A 42 -2.921 4.778 1.484 1.00 0.24 C ATOM 642 CD2 PHE A 42 -1.396 4.236 3.239 1.00 0.12 C ATOM 643 CE1 PHE A 42 -3.034 3.438 1.173 1.00 0.28 C ATOM 644 CE2 PHE A 42 -1.514 2.900 2.926 1.00 0.13 C ATOM 645 CZ PHE A 42 -2.330 2.501 1.894 1.00 0.23 C ATOM 0 H PHE A 42 -2.278 9.020 3.799 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.097 7.014 2.614 1.00 0.10 H new ATOM 0 HB2 PHE A 42 -1.657 7.239 1.986 1.00 0.22 H new ATOM 0 HB3 PHE A 42 -1.215 6.822 3.630 1.00 0.22 H new ATOM 0 HD1 PHE A 42 -3.475 5.509 0.915 1.00 0.24 H new ATOM 0 HD2 PHE A 42 -0.750 4.543 4.048 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.676 3.125 0.363 1.00 0.28 H new ATOM 0 HE2 PHE A 42 -0.964 2.164 3.493 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.418 1.453 1.649 1.00 0.23 H new ATOM 655 N HIS A 43 -3.330 7.066 5.763 1.00 0.41 N ATOM 656 CA HIS A 43 -3.653 6.431 7.074 1.00 0.64 C ATOM 657 C HIS A 43 -5.064 6.833 7.521 1.00 0.79 C ATOM 658 O HIS A 43 -5.670 6.176 8.345 1.00 0.99 O ATOM 659 CB HIS A 43 -2.634 6.908 8.108 1.00 0.78 C ATOM 660 CG HIS A 43 -2.665 5.993 9.330 1.00 1.01 C ATOM 661 ND1 HIS A 43 -3.594 5.201 9.614 1.00 1.10 N ATOM 662 CD2 HIS A 43 -1.729 5.837 10.338 1.00 1.17 C ATOM 663 CE1 HIS A 43 -3.349 4.566 10.688 1.00 1.29 C ATOM 664 NE2 HIS A 43 -2.176 4.908 11.221 1.00 1.35 N ATOM 0 H HIS A 43 -2.817 7.946 5.817 1.00 0.41 H new ATOM 0 HA HIS A 43 -3.613 5.346 6.977 1.00 0.64 H new ATOM 0 HB2 HIS A 43 -1.635 6.912 7.672 1.00 0.78 H new ATOM 0 HB3 HIS A 43 -2.857 7.933 8.405 1.00 0.78 H new ATOM 0 HD1 HIS A 43 -4.439 5.081 9.055 1.00 1.10 H new ATOM 0 HD2 HIS A 43 -0.792 6.370 10.410 1.00 1.17 H new ATOM 0 HE1 HIS A 43 -4.015 3.833 11.119 1.00 1.29 H new ATOM 672 N SER A 44 -5.556 7.908 6.964 1.00 0.73 N ATOM 673 CA SER A 44 -6.923 8.376 7.343 1.00 0.94 C ATOM 674 C SER A 44 -7.994 7.525 6.650 1.00 1.00 C ATOM 675 O SER A 44 -9.169 7.655 6.928 1.00 1.32 O ATOM 676 CB SER A 44 -7.085 9.837 6.923 1.00 0.96 C ATOM 677 OG SER A 44 -8.480 10.077 7.033 1.00 1.88 O ATOM 0 H SER A 44 -5.076 8.479 6.268 1.00 0.73 H new ATOM 0 HA SER A 44 -7.045 8.280 8.422 1.00 0.94 H new ATOM 0 HB2 SER A 44 -6.514 10.503 7.570 1.00 0.96 H new ATOM 0 HB3 SER A 44 -6.732 10.001 5.905 1.00 0.96 H new ATOM 0 HG SER A 44 -8.924 9.273 7.374 1.00 1.88 H new ATOM 683 N LEU A 45 -7.563 6.673 5.763 1.00 0.70 N ATOM 684 CA LEU A 45 -8.543 5.804 5.045 1.00 0.76 C ATOM 685 C LEU A 45 -8.893 4.586 5.904 1.00 0.83 C ATOM 686 O LEU A 45 -9.785 3.828 5.579 1.00 0.90 O ATOM 687 CB LEU A 45 -7.925 5.337 3.728 1.00 0.60 C ATOM 688 CG LEU A 45 -7.561 6.560 2.878 1.00 0.66 C ATOM 689 CD1 LEU A 45 -6.812 6.097 1.626 1.00 0.56 C ATOM 690 CD2 LEU A 45 -8.838 7.302 2.457 1.00 0.91 C ATOM 0 H LEU A 45 -6.586 6.539 5.504 1.00 0.70 H new ATOM 0 HA LEU A 45 -9.452 6.372 4.848 1.00 0.76 H new ATOM 0 HB2 LEU A 45 -7.036 4.737 3.923 1.00 0.60 H new ATOM 0 HB3 LEU A 45 -8.627 4.701 3.189 1.00 0.60 H new ATOM 0 HG LEU A 45 -6.931 7.231 3.462 1.00 0.66 H new ATOM 0 HD11 LEU A 45 -6.551 6.963 1.017 1.00 0.56 H new ATOM 0 HD12 LEU A 45 -5.903 5.572 1.919 1.00 0.56 H new ATOM 0 HD13 LEU A 45 -7.448 5.426 1.048 1.00 0.56 H new ATOM 0 HD21 LEU A 45 -8.572 8.170 1.853 1.00 0.91 H new ATOM 0 HD22 LEU A 45 -9.471 6.634 1.873 1.00 0.91 H new ATOM 0 HD23 LEU A 45 -9.378 7.630 3.345 1.00 0.91 H new ATOM 702 N SER A 46 -8.179 4.427 6.984 1.00 0.85 N ATOM 703 CA SER A 46 -8.451 3.266 7.878 1.00 0.97 C ATOM 704 C SER A 46 -9.805 3.439 8.580 1.00 1.07 C ATOM 705 O SER A 46 -10.398 2.481 9.033 1.00 1.09 O ATOM 706 CB SER A 46 -7.344 3.176 8.926 1.00 0.91 C ATOM 707 OG SER A 46 -7.304 1.799 9.273 1.00 0.98 O ATOM 0 H SER A 46 -7.425 5.045 7.285 1.00 0.85 H new ATOM 0 HA SER A 46 -8.479 2.354 7.282 1.00 0.97 H new ATOM 0 HB2 SER A 46 -6.388 3.514 8.526 1.00 0.91 H new ATOM 0 HB3 SER A 46 -7.565 3.799 9.793 1.00 0.91 H new ATOM 0 HG SER A 46 -6.516 1.382 8.867 1.00 0.98 H new ATOM 713 N GLU A 47 -10.263 4.660 8.652 1.00 1.17 N ATOM 714 CA GLU A 47 -11.574 4.912 9.325 1.00 1.29 C ATOM 715 C GLU A 47 -12.709 4.943 8.293 1.00 1.18 C ATOM 716 O GLU A 47 -13.720 4.292 8.463 1.00 1.07 O ATOM 717 CB GLU A 47 -11.512 6.254 10.054 1.00 1.58 C ATOM 718 CG GLU A 47 -10.372 6.220 11.077 1.00 1.83 C ATOM 719 CD GLU A 47 -10.815 6.945 12.351 1.00 2.17 C ATOM 720 OE1 GLU A 47 -10.585 8.141 12.401 1.00 3.12 O ATOM 721 OE2 GLU A 47 -11.359 6.260 13.202 1.00 1.81 O ATOM 0 H GLU A 47 -9.794 5.486 8.280 1.00 1.17 H new ATOM 0 HA GLU A 47 -11.770 4.109 10.036 1.00 1.29 H new ATOM 0 HB2 GLU A 47 -11.352 7.062 9.340 1.00 1.58 H new ATOM 0 HB3 GLU A 47 -12.460 6.454 10.554 1.00 1.58 H new ATOM 0 HG2 GLU A 47 -10.104 5.189 11.306 1.00 1.83 H new ATOM 0 HG3 GLU A 47 -9.483 6.696 10.664 1.00 1.83 H new ATOM 728 N LYS A 48 -12.518 5.700 7.247 1.00 1.23 N ATOM 729 CA LYS A 48 -13.582 5.782 6.203 1.00 1.18 C ATOM 730 C LYS A 48 -13.874 4.389 5.637 1.00 0.95 C ATOM 731 O LYS A 48 -14.972 3.883 5.764 1.00 0.92 O ATOM 732 CB LYS A 48 -13.114 6.706 5.085 1.00 1.30 C ATOM 733 CG LYS A 48 -14.233 6.868 4.044 1.00 1.80 C ATOM 734 CD LYS A 48 -15.471 7.507 4.690 1.00 2.26 C ATOM 735 CE LYS A 48 -16.225 8.326 3.637 1.00 2.50 C ATOM 736 NZ LYS A 48 -17.675 8.399 3.974 1.00 3.46 N ATOM 0 H LYS A 48 -11.683 6.259 7.070 1.00 1.23 H new ATOM 0 HA LYS A 48 -14.496 6.177 6.648 1.00 1.18 H new ATOM 0 HB2 LYS A 48 -12.841 7.679 5.494 1.00 1.30 H new ATOM 0 HB3 LYS A 48 -12.221 6.297 4.612 1.00 1.30 H new ATOM 0 HG2 LYS A 48 -13.884 7.488 3.218 1.00 1.80 H new ATOM 0 HG3 LYS A 48 -14.493 5.896 3.625 1.00 1.80 H new ATOM 0 HD2 LYS A 48 -16.121 6.734 5.101 1.00 2.26 H new ATOM 0 HD3 LYS A 48 -15.173 8.147 5.520 1.00 2.26 H new ATOM 0 HE2 LYS A 48 -15.807 9.331 3.582 1.00 2.50 H new ATOM 0 HE3 LYS A 48 -16.096 7.873 2.654 1.00 2.50 H new ATOM 0 HZ1 LYS A 48 -18.172 8.957 3.251 1.00 3.46 H new ATOM 0 HZ2 LYS A 48 -18.073 7.439 4.004 1.00 3.46 H new ATOM 0 HZ3 LYS A 48 -17.793 8.852 4.903 1.00 3.46 H new ATOM 750 N TYR A 49 -12.886 3.799 5.024 1.00 0.80 N ATOM 751 CA TYR A 49 -13.093 2.440 4.445 1.00 0.57 C ATOM 752 C TYR A 49 -12.755 1.366 5.484 1.00 0.49 C ATOM 753 O TYR A 49 -11.602 1.038 5.688 1.00 0.50 O ATOM 754 CB TYR A 49 -12.190 2.272 3.226 1.00 0.48 C ATOM 755 CG TYR A 49 -12.749 3.097 2.066 1.00 0.51 C ATOM 756 CD1 TYR A 49 -13.752 2.589 1.265 1.00 0.54 C ATOM 757 CD2 TYR A 49 -12.258 4.359 1.803 1.00 0.53 C ATOM 758 CE1 TYR A 49 -14.256 3.334 0.218 1.00 0.61 C ATOM 759 CE2 TYR A 49 -12.762 5.104 0.756 1.00 0.60 C ATOM 760 CZ TYR A 49 -13.765 4.597 -0.045 1.00 0.64 C ATOM 761 OH TYR A 49 -14.270 5.341 -1.091 1.00 0.73 O ATOM 0 H TYR A 49 -11.953 4.193 4.899 1.00 0.80 H new ATOM 0 HA TYR A 49 -14.137 2.330 4.151 1.00 0.57 H new ATOM 0 HB2 TYR A 49 -11.176 2.596 3.462 1.00 0.48 H new ATOM 0 HB3 TYR A 49 -12.131 1.221 2.945 1.00 0.48 H new ATOM 0 HD1 TYR A 49 -14.145 1.602 1.459 1.00 0.54 H new ATOM 0 HD2 TYR A 49 -11.473 4.768 2.422 1.00 0.53 H new ATOM 0 HE1 TYR A 49 -15.041 2.925 -0.401 1.00 0.61 H new ATOM 0 HE2 TYR A 49 -12.369 6.091 0.562 1.00 0.60 H new ATOM 0 HH TYR A 49 -13.810 6.205 -1.130 1.00 0.73 H new ATOM 771 N SER A 50 -13.767 0.842 6.118 1.00 0.51 N ATOM 772 CA SER A 50 -13.521 -0.213 7.145 1.00 0.52 C ATOM 773 C SER A 50 -13.634 -1.602 6.508 1.00 0.39 C ATOM 774 O SER A 50 -13.409 -2.604 7.156 1.00 0.55 O ATOM 775 CB SER A 50 -14.558 -0.076 8.259 1.00 0.64 C ATOM 776 OG SER A 50 -15.739 -0.637 7.704 1.00 0.35 O ATOM 0 H SER A 50 -14.745 1.094 5.973 1.00 0.51 H new ATOM 0 HA SER A 50 -12.518 -0.093 7.555 1.00 0.52 H new ATOM 0 HB2 SER A 50 -14.249 -0.608 9.159 1.00 0.64 H new ATOM 0 HB3 SER A 50 -14.706 0.967 8.540 1.00 0.64 H new ATOM 0 HG SER A 50 -16.464 -0.591 8.362 1.00 0.35 H new ATOM 782 N ASN A 51 -13.981 -1.625 5.249 1.00 0.17 N ATOM 783 CA ASN A 51 -14.117 -2.936 4.546 1.00 0.24 C ATOM 784 C ASN A 51 -12.870 -3.215 3.700 1.00 0.33 C ATOM 785 O ASN A 51 -12.695 -4.306 3.194 1.00 0.75 O ATOM 786 CB ASN A 51 -15.345 -2.887 3.639 1.00 0.28 C ATOM 787 CG ASN A 51 -15.697 -4.306 3.188 1.00 0.50 C ATOM 788 OD1 ASN A 51 -15.109 -4.842 2.269 1.00 0.85 O ATOM 789 ND2 ASN A 51 -16.651 -4.947 3.806 1.00 1.52 N ATOM 0 H ASN A 51 -14.175 -0.801 4.680 1.00 0.17 H new ATOM 0 HA ASN A 51 -14.227 -3.731 5.284 1.00 0.24 H new ATOM 0 HB2 ASN A 51 -16.187 -2.443 4.171 1.00 0.28 H new ATOM 0 HB3 ASN A 51 -15.146 -2.256 2.772 1.00 0.28 H new ATOM 0 HD21 ASN A 51 -16.900 -5.893 3.517 1.00 1.52 H new ATOM 0 HD22 ASN A 51 -17.148 -4.502 4.578 1.00 1.52 H new ATOM 796 N VAL A 52 -12.031 -2.220 3.569 1.00 0.22 N ATOM 797 CA VAL A 52 -10.788 -2.402 2.758 1.00 0.19 C ATOM 798 C VAL A 52 -9.574 -2.566 3.675 1.00 0.25 C ATOM 799 O VAL A 52 -9.625 -2.223 4.839 1.00 0.35 O ATOM 800 CB VAL A 52 -10.586 -1.172 1.869 1.00 0.15 C ATOM 801 CG1 VAL A 52 -9.395 -1.406 0.933 1.00 0.18 C ATOM 802 CG2 VAL A 52 -11.844 -0.942 1.035 1.00 0.08 C ATOM 0 H VAL A 52 -12.150 -1.296 3.984 1.00 0.22 H new ATOM 0 HA VAL A 52 -10.891 -3.297 2.144 1.00 0.19 H new ATOM 0 HB VAL A 52 -10.392 -0.300 2.493 1.00 0.15 H new ATOM 0 HG11 VAL A 52 -9.252 -0.530 0.300 1.00 0.18 H new ATOM 0 HG12 VAL A 52 -8.496 -1.577 1.524 1.00 0.18 H new ATOM 0 HG13 VAL A 52 -9.589 -2.277 0.308 1.00 0.18 H new ATOM 0 HG21 VAL A 52 -11.705 -0.067 0.400 1.00 0.08 H new ATOM 0 HG22 VAL A 52 -12.032 -1.816 0.412 1.00 0.08 H new ATOM 0 HG23 VAL A 52 -12.694 -0.778 1.697 1.00 0.08 H new ATOM 812 N ILE A 53 -8.509 -3.089 3.120 1.00 0.35 N ATOM 813 CA ILE A 53 -7.270 -3.289 3.931 1.00 0.38 C ATOM 814 C ILE A 53 -6.133 -2.459 3.328 1.00 0.25 C ATOM 815 O ILE A 53 -6.045 -2.313 2.123 1.00 0.18 O ATOM 816 CB ILE A 53 -6.908 -4.779 3.922 1.00 0.44 C ATOM 817 CG1 ILE A 53 -8.078 -5.581 4.527 1.00 0.57 C ATOM 818 CG2 ILE A 53 -5.658 -5.002 4.772 1.00 0.51 C ATOM 819 CD1 ILE A 53 -8.053 -7.022 3.999 1.00 0.60 C ATOM 0 H ILE A 53 -8.444 -3.384 2.146 1.00 0.35 H new ATOM 0 HA ILE A 53 -7.433 -2.966 4.959 1.00 0.38 H new ATOM 0 HB ILE A 53 -6.719 -5.106 2.900 1.00 0.44 H new ATOM 0 HG12 ILE A 53 -8.006 -5.582 5.615 1.00 0.57 H new ATOM 0 HG13 ILE A 53 -9.026 -5.107 4.271 1.00 0.57 H new ATOM 0 HG21 ILE A 53 -5.399 -6.061 4.767 1.00 0.51 H new ATOM 0 HG22 ILE A 53 -4.830 -4.424 4.361 1.00 0.51 H new ATOM 0 HG23 ILE A 53 -5.852 -4.681 5.795 1.00 0.51 H new ATOM 0 HD11 ILE A 53 -8.882 -7.582 4.431 1.00 0.60 H new ATOM 0 HD12 ILE A 53 -8.147 -7.013 2.913 1.00 0.60 H new ATOM 0 HD13 ILE A 53 -7.111 -7.495 4.278 1.00 0.60 H new ATOM 831 N PHE A 54 -5.289 -1.934 4.180 1.00 0.27 N ATOM 832 CA PHE A 54 -4.165 -1.080 3.681 1.00 0.22 C ATOM 833 C PHE A 54 -2.822 -1.543 4.260 1.00 0.22 C ATOM 834 O PHE A 54 -2.706 -1.790 5.441 1.00 0.33 O ATOM 835 CB PHE A 54 -4.438 0.360 4.116 1.00 0.35 C ATOM 836 CG PHE A 54 -5.722 0.853 3.441 1.00 0.41 C ATOM 837 CD1 PHE A 54 -5.687 1.402 2.172 1.00 0.42 C ATOM 838 CD2 PHE A 54 -6.940 0.751 4.095 1.00 0.48 C ATOM 839 CE1 PHE A 54 -6.847 1.843 1.567 1.00 0.48 C ATOM 840 CE2 PHE A 54 -8.100 1.191 3.485 1.00 0.53 C ATOM 841 CZ PHE A 54 -8.051 1.736 2.223 1.00 0.52 C ATOM 0 H PHE A 54 -5.327 -2.057 5.192 1.00 0.27 H new ATOM 0 HA PHE A 54 -4.106 -1.156 2.595 1.00 0.22 H new ATOM 0 HB2 PHE A 54 -4.539 0.413 5.200 1.00 0.35 H new ATOM 0 HB3 PHE A 54 -3.600 1.001 3.843 1.00 0.35 H new ATOM 0 HD1 PHE A 54 -4.745 1.486 1.650 1.00 0.42 H new ATOM 0 HD2 PHE A 54 -6.983 0.325 5.087 1.00 0.48 H new ATOM 0 HE1 PHE A 54 -6.809 2.273 0.577 1.00 0.48 H new ATOM 0 HE2 PHE A 54 -9.046 1.107 4.000 1.00 0.53 H new ATOM 0 HZ PHE A 54 -8.958 2.080 1.747 1.00 0.52 H new ATOM 851 N LEU A 55 -1.837 -1.668 3.399 1.00 0.16 N ATOM 852 CA LEU A 55 -0.482 -2.096 3.873 1.00 0.16 C ATOM 853 C LEU A 55 0.485 -0.913 3.801 1.00 0.05 C ATOM 854 O LEU A 55 0.163 0.131 3.268 1.00 0.22 O ATOM 855 CB LEU A 55 0.067 -3.214 2.981 1.00 0.27 C ATOM 856 CG LEU A 55 -0.608 -4.559 3.302 1.00 0.51 C ATOM 857 CD1 LEU A 55 -2.123 -4.440 3.174 1.00 1.00 C ATOM 858 CD2 LEU A 55 -0.115 -5.606 2.302 1.00 0.49 C ATOM 0 H LEU A 55 -1.913 -1.493 2.397 1.00 0.16 H new ATOM 0 HA LEU A 55 -0.575 -2.453 4.899 1.00 0.16 H new ATOM 0 HB2 LEU A 55 -0.097 -2.962 1.933 1.00 0.27 H new ATOM 0 HB3 LEU A 55 1.144 -3.301 3.123 1.00 0.27 H new ATOM 0 HG LEU A 55 -0.357 -4.848 4.323 1.00 0.51 H new ATOM 0 HD11 LEU A 55 -2.584 -5.400 3.404 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.489 -3.685 3.870 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -2.380 -4.149 2.156 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.586 -6.565 2.518 1.00 0.49 H new ATOM 0 HD22 LEU A 55 -0.375 -5.294 1.291 1.00 0.49 H new ATOM 0 HD23 LEU A 55 0.967 -5.706 2.384 1.00 0.49 H new ATOM 870 N GLU A 56 1.655 -1.119 4.307 1.00 0.23 N ATOM 871 CA GLU A 56 2.675 -0.030 4.296 1.00 0.15 C ATOM 872 C GLU A 56 4.073 -0.651 4.226 1.00 0.15 C ATOM 873 O GLU A 56 4.566 -1.176 5.205 1.00 0.14 O ATOM 874 CB GLU A 56 2.545 0.790 5.577 1.00 0.18 C ATOM 875 CG GLU A 56 3.262 2.130 5.391 1.00 0.10 C ATOM 876 CD GLU A 56 3.214 2.914 6.704 1.00 0.53 C ATOM 877 OE1 GLU A 56 2.217 3.589 6.896 1.00 1.56 O ATOM 878 OE2 GLU A 56 4.180 2.795 7.441 1.00 1.09 O ATOM 0 H GLU A 56 1.960 -1.995 4.732 1.00 0.23 H new ATOM 0 HA GLU A 56 2.519 0.616 3.432 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.494 0.956 5.812 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.977 0.246 6.417 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.297 1.964 5.091 1.00 0.10 H new ATOM 0 HG3 GLU A 56 2.787 2.703 4.594 1.00 0.10 H new ATOM 885 N VAL A 57 4.684 -0.577 3.077 1.00 0.18 N ATOM 886 CA VAL A 57 6.041 -1.189 2.935 1.00 0.18 C ATOM 887 C VAL A 57 7.140 -0.145 3.143 1.00 0.17 C ATOM 888 O VAL A 57 7.060 0.961 2.638 1.00 0.17 O ATOM 889 CB VAL A 57 6.180 -1.795 1.541 1.00 0.17 C ATOM 890 CG1 VAL A 57 7.605 -2.326 1.365 1.00 0.17 C ATOM 891 CG2 VAL A 57 5.191 -2.948 1.386 1.00 0.22 C ATOM 0 H VAL A 57 4.313 -0.127 2.240 1.00 0.18 H new ATOM 0 HA VAL A 57 6.150 -1.963 3.695 1.00 0.18 H new ATOM 0 HB VAL A 57 5.973 -1.034 0.789 1.00 0.17 H new ATOM 0 HG11 VAL A 57 7.711 -2.760 0.371 1.00 0.17 H new ATOM 0 HG12 VAL A 57 8.315 -1.507 1.481 1.00 0.17 H new ATOM 0 HG13 VAL A 57 7.805 -3.089 2.118 1.00 0.17 H new ATOM 0 HG21 VAL A 57 5.290 -3.381 0.391 1.00 0.22 H new ATOM 0 HG22 VAL A 57 5.401 -3.711 2.136 1.00 0.22 H new ATOM 0 HG23 VAL A 57 4.175 -2.577 1.521 1.00 0.22 H new ATOM 901 N ASP A 58 8.146 -0.527 3.883 1.00 0.20 N ATOM 902 CA ASP A 58 9.276 0.407 4.136 1.00 0.23 C ATOM 903 C ASP A 58 10.415 0.111 3.155 1.00 0.18 C ATOM 904 O ASP A 58 11.075 -0.905 3.254 1.00 0.18 O ATOM 905 CB ASP A 58 9.768 0.212 5.569 1.00 0.33 C ATOM 906 CG ASP A 58 10.801 1.289 5.905 1.00 0.41 C ATOM 907 OD1 ASP A 58 10.835 2.256 5.161 1.00 0.86 O ATOM 908 OD2 ASP A 58 11.495 1.085 6.887 1.00 1.57 O ATOM 0 H ASP A 58 8.232 -1.444 4.322 1.00 0.20 H new ATOM 0 HA ASP A 58 8.944 1.436 3.997 1.00 0.23 H new ATOM 0 HB2 ASP A 58 8.930 0.268 6.263 1.00 0.33 H new ATOM 0 HB3 ASP A 58 10.210 -0.778 5.682 1.00 0.33 H new ATOM 913 N VAL A 59 10.623 1.007 2.231 1.00 0.16 N ATOM 914 CA VAL A 59 11.707 0.792 1.225 1.00 0.10 C ATOM 915 C VAL A 59 13.093 0.945 1.873 1.00 0.08 C ATOM 916 O VAL A 59 14.062 1.228 1.198 1.00 0.03 O ATOM 917 CB VAL A 59 11.555 1.827 0.115 1.00 0.11 C ATOM 918 CG1 VAL A 59 10.240 1.578 -0.626 1.00 0.11 C ATOM 919 CG2 VAL A 59 11.528 3.228 0.735 1.00 0.18 C ATOM 0 H VAL A 59 10.095 1.874 2.127 1.00 0.16 H new ATOM 0 HA VAL A 59 11.623 -0.218 0.823 1.00 0.10 H new ATOM 0 HB VAL A 59 12.390 1.749 -0.581 1.00 0.11 H new ATOM 0 HG11 VAL A 59 10.125 2.315 -1.421 1.00 0.11 H new ATOM 0 HG12 VAL A 59 10.249 0.577 -1.057 1.00 0.11 H new ATOM 0 HG13 VAL A 59 9.407 1.665 0.072 1.00 0.11 H new ATOM 0 HG21 VAL A 59 11.420 3.973 -0.053 1.00 0.18 H new ATOM 0 HG22 VAL A 59 10.687 3.305 1.425 1.00 0.18 H new ATOM 0 HG23 VAL A 59 12.458 3.405 1.275 1.00 0.18 H new ATOM 929 N ASP A 60 13.154 0.755 3.164 1.00 0.13 N ATOM 930 CA ASP A 60 14.463 0.892 3.871 1.00 0.10 C ATOM 931 C ASP A 60 15.034 -0.487 4.211 1.00 0.31 C ATOM 932 O ASP A 60 16.119 -0.834 3.788 1.00 0.48 O ATOM 933 CB ASP A 60 14.245 1.680 5.158 1.00 0.37 C ATOM 934 CG ASP A 60 15.592 2.182 5.680 1.00 0.21 C ATOM 935 OD1 ASP A 60 16.018 3.210 5.179 1.00 0.63 O ATOM 936 OD2 ASP A 60 16.119 1.510 6.551 1.00 0.89 O ATOM 0 H ASP A 60 12.361 0.512 3.757 1.00 0.13 H new ATOM 0 HA ASP A 60 15.169 1.412 3.223 1.00 0.10 H new ATOM 0 HB2 ASP A 60 13.577 2.522 4.974 1.00 0.37 H new ATOM 0 HB3 ASP A 60 13.764 1.050 5.906 1.00 0.37 H new ATOM 941 N ASP A 61 14.284 -1.243 4.968 1.00 0.48 N ATOM 942 CA ASP A 61 14.763 -2.606 5.360 1.00 0.72 C ATOM 943 C ASP A 61 14.030 -3.682 4.550 1.00 0.63 C ATOM 944 O ASP A 61 14.390 -4.843 4.591 1.00 0.78 O ATOM 945 CB ASP A 61 14.494 -2.818 6.849 1.00 1.01 C ATOM 946 CG ASP A 61 15.211 -4.085 7.317 1.00 1.52 C ATOM 947 OD1 ASP A 61 16.379 -4.200 6.984 1.00 2.44 O ATOM 948 OD2 ASP A 61 14.551 -4.866 7.983 1.00 1.18 O ATOM 0 H ASP A 61 13.367 -0.981 5.331 1.00 0.48 H new ATOM 0 HA ASP A 61 15.831 -2.683 5.158 1.00 0.72 H new ATOM 0 HB2 ASP A 61 14.843 -1.957 7.419 1.00 1.01 H new ATOM 0 HB3 ASP A 61 13.422 -2.906 7.028 1.00 1.01 H new ATOM 953 N CYS A 62 13.018 -3.267 3.830 1.00 0.39 N ATOM 954 CA CYS A 62 12.238 -4.241 3.003 1.00 0.28 C ATOM 955 C CYS A 62 12.367 -3.893 1.517 1.00 0.16 C ATOM 956 O CYS A 62 11.578 -4.332 0.703 1.00 0.28 O ATOM 957 CB CYS A 62 10.768 -4.174 3.411 1.00 0.29 C ATOM 958 SG CYS A 62 10.404 -3.890 5.161 1.00 0.59 S ATOM 0 H CYS A 62 12.698 -2.300 3.778 1.00 0.39 H new ATOM 0 HA CYS A 62 12.628 -5.246 3.167 1.00 0.28 H new ATOM 0 HB2 CYS A 62 10.294 -3.379 2.835 1.00 0.29 H new ATOM 0 HB3 CYS A 62 10.293 -5.109 3.115 1.00 0.29 H new ATOM 0 HG CYS A 62 10.473 -5.016 5.807 1.00 0.59 H new ATOM 964 N GLN A 63 13.361 -3.110 1.195 1.00 0.50 N ATOM 965 CA GLN A 63 13.551 -2.722 -0.228 1.00 0.73 C ATOM 966 C GLN A 63 13.560 -3.965 -1.116 1.00 0.66 C ATOM 967 O GLN A 63 13.390 -3.876 -2.316 1.00 0.75 O ATOM 968 CB GLN A 63 14.875 -1.974 -0.375 1.00 1.13 C ATOM 969 CG GLN A 63 16.030 -2.925 -0.054 1.00 0.93 C ATOM 970 CD GLN A 63 17.323 -2.119 0.075 1.00 0.52 C ATOM 971 OE1 GLN A 63 18.251 -2.287 -0.690 1.00 1.36 O ATOM 972 NE2 GLN A 63 17.426 -1.234 1.028 1.00 0.94 N ATOM 0 H GLN A 63 14.042 -2.726 1.850 1.00 0.50 H new ATOM 0 HA GLN A 63 12.729 -2.076 -0.536 1.00 0.73 H new ATOM 0 HB2 GLN A 63 14.977 -1.588 -1.389 1.00 1.13 H new ATOM 0 HB3 GLN A 63 14.898 -1.116 0.297 1.00 1.13 H new ATOM 0 HG2 GLN A 63 15.828 -3.462 0.873 1.00 0.93 H new ATOM 0 HG3 GLN A 63 16.130 -3.673 -0.840 1.00 0.93 H new ATOM 0 HE21 GLN A 63 16.650 -1.088 1.674 1.00 0.94 H new ATOM 0 HE22 GLN A 63 18.282 -0.688 1.127 1.00 0.94 H new ATOM 981 N ASP A 64 13.759 -5.098 -0.508 1.00 0.66 N ATOM 982 CA ASP A 64 13.775 -6.355 -1.299 1.00 0.80 C ATOM 983 C ASP A 64 12.411 -6.570 -1.946 1.00 0.66 C ATOM 984 O ASP A 64 12.309 -7.044 -3.059 1.00 0.63 O ATOM 985 CB ASP A 64 14.100 -7.529 -0.376 1.00 0.98 C ATOM 986 CG ASP A 64 13.077 -7.577 0.761 1.00 0.73 C ATOM 987 OD1 ASP A 64 12.539 -6.522 1.051 1.00 1.38 O ATOM 988 OD2 ASP A 64 12.893 -8.668 1.277 1.00 1.31 O ATOM 0 H ASP A 64 13.910 -5.208 0.495 1.00 0.66 H new ATOM 0 HA ASP A 64 14.533 -6.286 -2.079 1.00 0.80 H new ATOM 0 HB2 ASP A 64 14.081 -8.463 -0.937 1.00 0.98 H new ATOM 0 HB3 ASP A 64 15.106 -7.420 0.029 1.00 0.98 H new ATOM 993 N VAL A 65 11.396 -6.210 -1.225 1.00 0.61 N ATOM 994 CA VAL A 65 10.020 -6.362 -1.758 1.00 0.54 C ATOM 995 C VAL A 65 9.746 -5.285 -2.799 1.00 0.42 C ATOM 996 O VAL A 65 9.070 -5.517 -3.779 1.00 0.37 O ATOM 997 CB VAL A 65 9.033 -6.223 -0.615 1.00 0.52 C ATOM 998 CG1 VAL A 65 7.651 -6.687 -1.080 1.00 0.61 C ATOM 999 CG2 VAL A 65 9.493 -7.091 0.560 1.00 0.63 C ATOM 0 H VAL A 65 11.458 -5.816 -0.286 1.00 0.61 H new ATOM 0 HA VAL A 65 9.915 -7.341 -2.225 1.00 0.54 H new ATOM 0 HB VAL A 65 8.981 -5.181 -0.300 1.00 0.52 H new ATOM 0 HG11 VAL A 65 6.939 -6.588 -0.260 1.00 0.61 H new ATOM 0 HG12 VAL A 65 7.325 -6.074 -1.920 1.00 0.61 H new ATOM 0 HG13 VAL A 65 7.703 -7.730 -1.391 1.00 0.61 H new ATOM 0 HG21 VAL A 65 8.786 -6.993 1.383 1.00 0.63 H new ATOM 0 HG22 VAL A 65 9.542 -8.133 0.245 1.00 0.63 H new ATOM 0 HG23 VAL A 65 10.480 -6.765 0.889 1.00 0.63 H new ATOM 1009 N ALA A 66 10.276 -4.126 -2.559 1.00 0.43 N ATOM 1010 CA ALA A 66 10.070 -3.015 -3.521 1.00 0.41 C ATOM 1011 C ALA A 66 10.676 -3.383 -4.870 1.00 0.47 C ATOM 1012 O ALA A 66 10.088 -3.155 -5.907 1.00 0.46 O ATOM 1013 CB ALA A 66 10.739 -1.752 -2.982 1.00 0.50 C ATOM 0 H ALA A 66 10.842 -3.898 -1.741 1.00 0.43 H new ATOM 0 HA ALA A 66 9.002 -2.836 -3.648 1.00 0.41 H new ATOM 0 HB1 ALA A 66 10.590 -0.933 -3.686 1.00 0.50 H new ATOM 0 HB2 ALA A 66 10.298 -1.489 -2.020 1.00 0.50 H new ATOM 0 HB3 ALA A 66 11.807 -1.932 -2.855 1.00 0.50 H new ATOM 1019 N SER A 67 11.842 -3.948 -4.823 1.00 0.55 N ATOM 1020 CA SER A 67 12.511 -4.349 -6.086 1.00 0.63 C ATOM 1021 C SER A 67 11.713 -5.462 -6.760 1.00 0.56 C ATOM 1022 O SER A 67 11.813 -5.676 -7.952 1.00 0.70 O ATOM 1023 CB SER A 67 13.922 -4.845 -5.774 1.00 0.75 C ATOM 1024 OG SER A 67 14.405 -5.328 -7.018 1.00 1.47 O ATOM 0 H SER A 67 12.361 -4.150 -3.969 1.00 0.55 H new ATOM 0 HA SER A 67 12.566 -3.492 -6.757 1.00 0.63 H new ATOM 0 HB2 SER A 67 14.550 -4.042 -5.388 1.00 0.75 H new ATOM 0 HB3 SER A 67 13.910 -5.631 -5.019 1.00 0.75 H new ATOM 0 HG SER A 67 15.317 -5.668 -6.905 1.00 1.47 H new ATOM 1030 N GLU A 68 10.933 -6.145 -5.975 1.00 0.44 N ATOM 1031 CA GLU A 68 10.112 -7.246 -6.531 1.00 0.41 C ATOM 1032 C GLU A 68 8.994 -6.671 -7.394 1.00 0.33 C ATOM 1033 O GLU A 68 8.585 -7.265 -8.372 1.00 0.33 O ATOM 1034 CB GLU A 68 9.512 -8.050 -5.379 1.00 0.49 C ATOM 1035 CG GLU A 68 9.022 -9.393 -5.907 1.00 0.52 C ATOM 1036 CD GLU A 68 8.509 -10.238 -4.741 1.00 1.05 C ATOM 1037 OE1 GLU A 68 9.331 -10.948 -4.188 1.00 2.07 O ATOM 1038 OE2 GLU A 68 7.326 -10.124 -4.469 1.00 1.60 O ATOM 0 H GLU A 68 10.830 -5.987 -4.973 1.00 0.44 H new ATOM 0 HA GLU A 68 10.736 -7.894 -7.146 1.00 0.41 H new ATOM 0 HB2 GLU A 68 10.258 -8.203 -4.599 1.00 0.49 H new ATOM 0 HB3 GLU A 68 8.686 -7.500 -4.927 1.00 0.49 H new ATOM 0 HG2 GLU A 68 8.228 -9.241 -6.638 1.00 0.52 H new ATOM 0 HG3 GLU A 68 9.832 -9.913 -6.419 1.00 0.52 H new ATOM 1045 N CYS A 69 8.527 -5.524 -7.007 1.00 0.32 N ATOM 1046 CA CYS A 69 7.441 -4.868 -7.787 1.00 0.38 C ATOM 1047 C CYS A 69 8.058 -4.000 -8.886 1.00 0.51 C ATOM 1048 O CYS A 69 7.362 -3.343 -9.634 1.00 0.58 O ATOM 1049 CB CYS A 69 6.606 -4.004 -6.846 1.00 0.37 C ATOM 1050 SG CYS A 69 5.367 -4.846 -5.829 1.00 0.39 S ATOM 0 H CYS A 69 8.847 -5.010 -6.186 1.00 0.32 H new ATOM 0 HA CYS A 69 6.803 -5.623 -8.247 1.00 0.38 H new ATOM 0 HB2 CYS A 69 7.287 -3.475 -6.179 1.00 0.37 H new ATOM 0 HB3 CYS A 69 6.096 -3.249 -7.444 1.00 0.37 H new ATOM 0 HG CYS A 69 4.225 -4.235 -5.941 1.00 0.39 H new ATOM 1056 N GLU A 70 9.362 -4.022 -8.946 1.00 0.59 N ATOM 1057 CA GLU A 70 10.083 -3.229 -9.986 1.00 0.75 C ATOM 1058 C GLU A 70 9.822 -1.729 -9.833 1.00 0.65 C ATOM 1059 O GLU A 70 9.629 -1.035 -10.812 1.00 0.65 O ATOM 1060 CB GLU A 70 9.631 -3.685 -11.374 1.00 0.89 C ATOM 1061 CG GLU A 70 9.575 -5.214 -11.410 1.00 1.92 C ATOM 1062 CD GLU A 70 9.491 -5.681 -12.866 1.00 2.22 C ATOM 1063 OE1 GLU A 70 8.871 -4.962 -13.631 1.00 2.41 O ATOM 1064 OE2 GLU A 70 10.054 -6.731 -13.130 1.00 2.53 O ATOM 0 H GLU A 70 9.962 -4.557 -8.318 1.00 0.59 H new ATOM 0 HA GLU A 70 11.152 -3.399 -9.861 1.00 0.75 H new ATOM 0 HB2 GLU A 70 8.651 -3.268 -11.605 1.00 0.89 H new ATOM 0 HB3 GLU A 70 10.321 -3.317 -12.133 1.00 0.89 H new ATOM 0 HG2 GLU A 70 10.460 -5.634 -10.932 1.00 1.92 H new ATOM 0 HG3 GLU A 70 8.710 -5.571 -10.851 1.00 1.92 H new ATOM 1071 N VAL A 71 9.823 -1.254 -8.617 1.00 0.58 N ATOM 1072 CA VAL A 71 9.601 0.212 -8.417 1.00 0.49 C ATOM 1073 C VAL A 71 10.945 0.934 -8.343 1.00 0.40 C ATOM 1074 O VAL A 71 11.953 0.346 -8.004 1.00 0.46 O ATOM 1075 CB VAL A 71 8.832 0.456 -7.117 1.00 0.60 C ATOM 1076 CG1 VAL A 71 7.977 1.718 -7.266 1.00 0.48 C ATOM 1077 CG2 VAL A 71 7.927 -0.743 -6.825 1.00 0.94 C ATOM 0 H VAL A 71 9.964 -1.801 -7.768 1.00 0.58 H new ATOM 0 HA VAL A 71 9.023 0.595 -9.258 1.00 0.49 H new ATOM 0 HB VAL A 71 9.536 0.585 -6.295 1.00 0.60 H new ATOM 0 HG11 VAL A 71 7.427 1.896 -6.342 1.00 0.48 H new ATOM 0 HG12 VAL A 71 8.622 2.572 -7.475 1.00 0.48 H new ATOM 0 HG13 VAL A 71 7.273 1.586 -8.088 1.00 0.48 H new ATOM 0 HG21 VAL A 71 7.379 -0.569 -5.899 1.00 0.94 H new ATOM 0 HG22 VAL A 71 7.221 -0.874 -7.645 1.00 0.94 H new ATOM 0 HG23 VAL A 71 8.535 -1.642 -6.723 1.00 0.94 H new ATOM 1087 N LYS A 72 10.930 2.194 -8.662 1.00 0.38 N ATOM 1088 CA LYS A 72 12.196 2.978 -8.616 1.00 0.48 C ATOM 1089 C LYS A 72 11.900 4.415 -8.179 1.00 0.46 C ATOM 1090 O LYS A 72 12.579 5.341 -8.576 1.00 0.45 O ATOM 1091 CB LYS A 72 12.834 2.986 -10.007 1.00 0.67 C ATOM 1092 CG LYS A 72 14.356 3.097 -9.867 1.00 0.91 C ATOM 1093 CD LYS A 72 14.955 1.692 -9.747 1.00 2.20 C ATOM 1094 CE LYS A 72 16.440 1.807 -9.398 1.00 2.69 C ATOM 1095 NZ LYS A 72 17.154 2.627 -10.417 1.00 2.32 N ATOM 0 H LYS A 72 10.102 2.715 -8.951 1.00 0.38 H new ATOM 0 HA LYS A 72 12.880 2.522 -7.901 1.00 0.48 H new ATOM 0 HB2 LYS A 72 12.573 2.075 -10.545 1.00 0.67 H new ATOM 0 HB3 LYS A 72 12.449 3.822 -10.591 1.00 0.67 H new ATOM 0 HG2 LYS A 72 14.776 3.612 -10.731 1.00 0.91 H new ATOM 0 HG3 LYS A 72 14.610 3.690 -8.988 1.00 0.91 H new ATOM 0 HD2 LYS A 72 14.431 1.125 -8.978 1.00 2.20 H new ATOM 0 HD3 LYS A 72 14.830 1.149 -10.684 1.00 2.20 H new ATOM 0 HE2 LYS A 72 16.554 2.260 -8.413 1.00 2.69 H new ATOM 0 HE3 LYS A 72 16.885 0.813 -9.345 1.00 2.69 H new ATOM 0 HZ1 LYS A 72 18.179 2.476 -10.327 1.00 2.32 H new ATOM 0 HZ2 LYS A 72 16.844 2.345 -11.369 1.00 2.32 H new ATOM 0 HZ3 LYS A 72 16.937 3.633 -10.267 1.00 2.32 H new ATOM 1109 N CYS A 73 10.889 4.569 -7.367 1.00 0.47 N ATOM 1110 CA CYS A 73 10.531 5.941 -6.898 1.00 0.44 C ATOM 1111 C CYS A 73 9.407 5.874 -5.865 1.00 0.43 C ATOM 1112 O CYS A 73 8.446 5.150 -6.034 1.00 0.50 O ATOM 1113 CB CYS A 73 10.077 6.774 -8.094 1.00 0.44 C ATOM 1114 SG CYS A 73 9.127 5.930 -9.383 1.00 0.51 S ATOM 0 H CYS A 73 10.301 3.815 -7.011 1.00 0.47 H new ATOM 0 HA CYS A 73 11.404 6.400 -6.434 1.00 0.44 H new ATOM 0 HB2 CYS A 73 9.475 7.602 -7.719 1.00 0.44 H new ATOM 0 HB3 CYS A 73 10.963 7.208 -8.558 1.00 0.44 H new ATOM 0 HG CYS A 73 8.820 6.777 -10.320 1.00 0.51 H new ATOM 1120 N THR A 74 9.560 6.641 -4.816 1.00 0.34 N ATOM 1121 CA THR A 74 8.523 6.658 -3.741 1.00 0.31 C ATOM 1122 C THR A 74 7.910 8.072 -3.645 1.00 0.33 C ATOM 1123 O THR A 74 8.554 9.042 -3.997 1.00 0.37 O ATOM 1124 CB THR A 74 9.208 6.300 -2.413 1.00 0.32 C ATOM 1125 OG1 THR A 74 10.435 7.022 -2.437 1.00 0.36 O ATOM 1126 CG2 THR A 74 9.614 4.829 -2.376 1.00 0.31 C ATOM 0 H THR A 74 10.358 7.256 -4.658 1.00 0.34 H new ATOM 0 HA THR A 74 7.731 5.942 -3.961 1.00 0.31 H new ATOM 0 HB THR A 74 8.543 6.518 -1.577 1.00 0.32 H new ATOM 0 HG1 THR A 74 10.935 6.845 -1.613 1.00 0.36 H new ATOM 0 HG21 THR A 74 10.096 4.608 -1.423 1.00 0.31 H new ATOM 0 HG22 THR A 74 8.728 4.204 -2.488 1.00 0.31 H new ATOM 0 HG23 THR A 74 10.309 4.623 -3.190 1.00 0.31 H new ATOM 1134 N PRO A 75 6.673 8.175 -3.171 1.00 0.31 N ATOM 1135 CA PRO A 75 5.837 7.030 -2.745 1.00 0.27 C ATOM 1136 C PRO A 75 5.202 6.331 -3.960 1.00 0.22 C ATOM 1137 O PRO A 75 5.002 6.944 -4.996 1.00 0.27 O ATOM 1138 CB PRO A 75 4.731 7.659 -1.892 1.00 0.28 C ATOM 1139 CG PRO A 75 4.805 9.202 -2.111 1.00 0.33 C ATOM 1140 CD PRO A 75 6.047 9.482 -2.978 1.00 0.34 C ATOM 0 HA PRO A 75 6.422 6.281 -2.211 1.00 0.27 H new ATOM 0 HB2 PRO A 75 3.754 7.275 -2.184 1.00 0.28 H new ATOM 0 HB3 PRO A 75 4.869 7.412 -0.839 1.00 0.28 H new ATOM 0 HG2 PRO A 75 3.903 9.564 -2.604 1.00 0.33 H new ATOM 0 HG3 PRO A 75 4.877 9.723 -1.156 1.00 0.33 H new ATOM 0 HD2 PRO A 75 5.770 9.932 -3.931 1.00 0.34 H new ATOM 0 HD3 PRO A 75 6.726 10.176 -2.483 1.00 0.34 H new ATOM 1148 N THR A 76 4.893 5.065 -3.804 1.00 0.14 N ATOM 1149 CA THR A 76 4.252 4.318 -4.926 1.00 0.09 C ATOM 1150 C THR A 76 3.080 3.495 -4.392 1.00 0.09 C ATOM 1151 O THR A 76 3.206 2.812 -3.396 1.00 0.20 O ATOM 1152 CB THR A 76 5.274 3.387 -5.581 1.00 0.06 C ATOM 1153 OG1 THR A 76 5.907 4.187 -6.575 1.00 0.28 O ATOM 1154 CG2 THR A 76 4.580 2.260 -6.348 1.00 0.33 C ATOM 0 H THR A 76 5.056 4.523 -2.955 1.00 0.14 H new ATOM 0 HA THR A 76 3.888 5.030 -5.667 1.00 0.09 H new ATOM 0 HB THR A 76 5.937 2.963 -4.827 1.00 0.06 H new ATOM 0 HG1 THR A 76 6.799 4.449 -6.265 1.00 0.28 H new ATOM 0 HG21 THR A 76 5.331 1.614 -6.803 1.00 0.33 H new ATOM 0 HG22 THR A 76 3.967 1.676 -5.661 1.00 0.33 H new ATOM 0 HG23 THR A 76 3.947 2.686 -7.127 1.00 0.33 H new ATOM 1162 N PHE A 77 1.965 3.577 -5.070 1.00 0.14 N ATOM 1163 CA PHE A 77 0.765 2.817 -4.610 1.00 0.12 C ATOM 1164 C PHE A 77 0.493 1.625 -5.520 1.00 0.10 C ATOM 1165 O PHE A 77 0.587 1.728 -6.727 1.00 0.13 O ATOM 1166 CB PHE A 77 -0.441 3.739 -4.645 1.00 0.12 C ATOM 1167 CG PHE A 77 -0.369 4.691 -3.462 1.00 0.13 C ATOM 1168 CD1 PHE A 77 -0.660 4.238 -2.192 1.00 0.08 C ATOM 1169 CD2 PHE A 77 -0.012 6.015 -3.642 1.00 0.23 C ATOM 1170 CE1 PHE A 77 -0.600 5.097 -1.114 1.00 0.09 C ATOM 1171 CE2 PHE A 77 0.051 6.873 -2.565 1.00 0.25 C ATOM 1172 CZ PHE A 77 -0.244 6.414 -1.302 1.00 0.16 C ATOM 0 H PHE A 77 1.834 4.132 -5.915 1.00 0.14 H new ATOM 0 HA PHE A 77 0.949 2.453 -3.599 1.00 0.12 H new ATOM 0 HB2 PHE A 77 -0.459 4.300 -5.579 1.00 0.12 H new ATOM 0 HB3 PHE A 77 -1.362 3.157 -4.605 1.00 0.12 H new ATOM 0 HD1 PHE A 77 -0.936 3.205 -2.041 1.00 0.08 H new ATOM 0 HD2 PHE A 77 0.219 6.379 -4.632 1.00 0.23 H new ATOM 0 HE1 PHE A 77 -0.832 4.737 -0.123 1.00 0.09 H new ATOM 0 HE2 PHE A 77 0.332 7.905 -2.713 1.00 0.25 H new ATOM 0 HZ PHE A 77 -0.196 7.086 -0.458 1.00 0.16 H new ATOM 1182 N GLN A 78 0.161 0.516 -4.914 1.00 0.09 N ATOM 1183 CA GLN A 78 -0.150 -0.705 -5.724 1.00 0.11 C ATOM 1184 C GLN A 78 -1.471 -1.326 -5.263 1.00 0.09 C ATOM 1185 O GLN A 78 -1.869 -1.176 -4.124 1.00 0.06 O ATOM 1186 CB GLN A 78 0.969 -1.717 -5.556 1.00 0.16 C ATOM 1187 CG GLN A 78 2.256 -1.142 -6.148 1.00 0.41 C ATOM 1188 CD GLN A 78 3.368 -2.185 -6.036 1.00 0.77 C ATOM 1189 OE1 GLN A 78 3.132 -3.371 -6.145 1.00 1.41 O ATOM 1190 NE2 GLN A 78 4.592 -1.786 -5.817 1.00 0.97 N ATOM 0 H GLN A 78 0.091 0.400 -3.903 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.240 -0.422 -6.773 1.00 0.11 H new ATOM 0 HB2 GLN A 78 1.111 -1.949 -4.500 1.00 0.16 H new ATOM 0 HB3 GLN A 78 0.710 -2.651 -6.055 1.00 0.16 H new ATOM 0 HG2 GLN A 78 2.100 -0.869 -7.192 1.00 0.41 H new ATOM 0 HG3 GLN A 78 2.539 -0.232 -5.619 1.00 0.41 H new ATOM 0 HE21 GLN A 78 4.795 -0.791 -5.725 1.00 0.97 H new ATOM 0 HE22 GLN A 78 5.345 -2.470 -5.738 1.00 0.97 H new ATOM 1199 N PHE A 79 -2.117 -2.015 -6.169 1.00 0.11 N ATOM 1200 CA PHE A 79 -3.423 -2.661 -5.833 1.00 0.10 C ATOM 1201 C PHE A 79 -3.307 -4.181 -6.005 1.00 0.10 C ATOM 1202 O PHE A 79 -2.863 -4.650 -7.033 1.00 0.05 O ATOM 1203 CB PHE A 79 -4.495 -2.131 -6.788 1.00 0.14 C ATOM 1204 CG PHE A 79 -4.832 -0.671 -6.448 1.00 0.11 C ATOM 1205 CD1 PHE A 79 -3.880 0.331 -6.584 1.00 0.07 C ATOM 1206 CD2 PHE A 79 -6.098 -0.332 -6.000 1.00 0.16 C ATOM 1207 CE1 PHE A 79 -4.194 1.639 -6.277 1.00 0.04 C ATOM 1208 CE2 PHE A 79 -6.403 0.978 -5.693 1.00 0.16 C ATOM 1209 CZ PHE A 79 -5.454 1.959 -5.833 1.00 0.09 C ATOM 0 H PHE A 79 -1.797 -2.158 -7.127 1.00 0.11 H new ATOM 0 HA PHE A 79 -3.690 -2.433 -4.801 1.00 0.10 H new ATOM 0 HB2 PHE A 79 -4.142 -2.201 -7.817 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.392 -2.745 -6.716 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.888 0.085 -6.932 1.00 0.07 H new ATOM 0 HD2 PHE A 79 -6.851 -1.098 -5.890 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.448 2.412 -6.386 1.00 0.04 H new ATOM 0 HE2 PHE A 79 -7.392 1.232 -5.341 1.00 0.16 H new ATOM 0 HZ PHE A 79 -5.698 2.984 -5.594 1.00 0.09 H new ATOM 1219 N PHE A 80 -3.712 -4.917 -4.992 1.00 0.18 N ATOM 1220 CA PHE A 80 -3.628 -6.411 -5.087 1.00 0.18 C ATOM 1221 C PHE A 80 -4.987 -7.046 -4.768 1.00 0.18 C ATOM 1222 O PHE A 80 -5.748 -6.526 -3.976 1.00 0.21 O ATOM 1223 CB PHE A 80 -2.587 -6.917 -4.088 1.00 0.17 C ATOM 1224 CG PHE A 80 -1.184 -6.536 -4.571 1.00 0.17 C ATOM 1225 CD1 PHE A 80 -0.538 -7.296 -5.532 1.00 0.14 C ATOM 1226 CD2 PHE A 80 -0.540 -5.426 -4.051 1.00 0.20 C ATOM 1227 CE1 PHE A 80 0.727 -6.949 -5.964 1.00 0.14 C ATOM 1228 CE2 PHE A 80 0.724 -5.084 -4.487 1.00 0.21 C ATOM 1229 CZ PHE A 80 1.355 -5.845 -5.441 1.00 0.18 C ATOM 0 H PHE A 80 -4.091 -4.554 -4.118 1.00 0.18 H new ATOM 0 HA PHE A 80 -3.341 -6.687 -6.102 1.00 0.18 H new ATOM 0 HB2 PHE A 80 -2.773 -6.487 -3.104 1.00 0.17 H new ATOM 0 HB3 PHE A 80 -2.665 -7.999 -3.983 1.00 0.17 H new ATOM 0 HD1 PHE A 80 -1.027 -8.166 -5.946 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.030 -4.824 -3.300 1.00 0.20 H new ATOM 0 HE1 PHE A 80 1.223 -7.547 -6.714 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.218 -4.216 -4.077 1.00 0.21 H new ATOM 0 HZ PHE A 80 2.344 -5.575 -5.780 1.00 0.18 H new ATOM 1239 N LYS A 81 -5.256 -8.158 -5.402 1.00 0.18 N ATOM 1240 CA LYS A 81 -6.551 -8.860 -5.154 1.00 0.19 C ATOM 1241 C LYS A 81 -6.310 -10.369 -5.050 1.00 0.22 C ATOM 1242 O LYS A 81 -5.711 -10.966 -5.923 1.00 0.27 O ATOM 1243 CB LYS A 81 -7.511 -8.568 -6.311 1.00 0.28 C ATOM 1244 CG LYS A 81 -8.922 -9.039 -5.933 1.00 0.38 C ATOM 1245 CD LYS A 81 -9.656 -7.910 -5.204 1.00 1.36 C ATOM 1246 CE LYS A 81 -10.381 -7.038 -6.230 1.00 1.08 C ATOM 1247 NZ LYS A 81 -11.602 -7.728 -6.732 1.00 0.53 N ATOM 0 H LYS A 81 -4.639 -8.609 -6.077 1.00 0.18 H new ATOM 0 HA LYS A 81 -6.986 -8.505 -4.220 1.00 0.19 H new ATOM 0 HB2 LYS A 81 -7.519 -7.501 -6.531 1.00 0.28 H new ATOM 0 HB3 LYS A 81 -7.175 -9.077 -7.214 1.00 0.28 H new ATOM 0 HG2 LYS A 81 -9.473 -9.328 -6.828 1.00 0.38 H new ATOM 0 HG3 LYS A 81 -8.864 -9.921 -5.296 1.00 0.38 H new ATOM 0 HD2 LYS A 81 -10.370 -8.324 -4.492 1.00 1.36 H new ATOM 0 HD3 LYS A 81 -8.948 -7.309 -4.633 1.00 1.36 H new ATOM 0 HE2 LYS A 81 -10.655 -6.085 -5.777 1.00 1.08 H new ATOM 0 HE3 LYS A 81 -9.714 -6.815 -7.063 1.00 1.08 H new ATOM 0 HZ1 LYS A 81 -12.250 -7.029 -7.147 1.00 0.53 H new ATOM 0 HZ2 LYS A 81 -11.334 -8.424 -7.457 1.00 0.53 H new ATOM 0 HZ3 LYS A 81 -12.075 -8.214 -5.943 1.00 0.53 H new ATOM 1261 N LYS A 82 -6.783 -10.953 -3.983 1.00 0.23 N ATOM 1262 CA LYS A 82 -6.580 -12.419 -3.801 1.00 0.32 C ATOM 1263 C LYS A 82 -5.098 -12.762 -3.960 1.00 0.28 C ATOM 1264 O LYS A 82 -4.732 -13.915 -4.076 1.00 0.30 O ATOM 1265 CB LYS A 82 -7.394 -13.176 -4.852 1.00 0.44 C ATOM 1266 CG LYS A 82 -8.183 -14.294 -4.166 1.00 0.96 C ATOM 1267 CD LYS A 82 -8.771 -15.222 -5.230 1.00 1.15 C ATOM 1268 CE LYS A 82 -10.154 -15.695 -4.775 1.00 1.26 C ATOM 1269 NZ LYS A 82 -11.157 -14.605 -4.937 1.00 1.32 N ATOM 0 H LYS A 82 -7.296 -10.485 -3.236 1.00 0.23 H new ATOM 0 HA LYS A 82 -6.909 -12.708 -2.803 1.00 0.32 H new ATOM 0 HB2 LYS A 82 -8.074 -12.495 -5.363 1.00 0.44 H new ATOM 0 HB3 LYS A 82 -6.732 -13.594 -5.611 1.00 0.44 H new ATOM 0 HG2 LYS A 82 -7.532 -14.856 -3.496 1.00 0.96 H new ATOM 0 HG3 LYS A 82 -8.980 -13.870 -3.555 1.00 0.96 H new ATOM 0 HD2 LYS A 82 -8.847 -14.700 -6.184 1.00 1.15 H new ATOM 0 HD3 LYS A 82 -8.114 -16.078 -5.387 1.00 1.15 H new ATOM 0 HE2 LYS A 82 -10.457 -16.566 -5.357 1.00 1.26 H new ATOM 0 HE3 LYS A 82 -10.113 -16.008 -3.732 1.00 1.26 H new ATOM 0 HZ1 LYS A 82 -12.114 -15.012 -4.939 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -11.068 -13.932 -4.149 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -10.989 -14.110 -5.836 1.00 1.32 H new ATOM 1283 N GLY A 83 -4.274 -11.748 -3.961 1.00 0.24 N ATOM 1284 CA GLY A 83 -2.810 -11.990 -4.114 1.00 0.21 C ATOM 1285 C GLY A 83 -2.389 -11.797 -5.573 1.00 0.17 C ATOM 1286 O GLY A 83 -1.415 -12.369 -6.021 1.00 0.26 O ATOM 0 H GLY A 83 -4.548 -10.770 -3.863 1.00 0.24 H new ATOM 0 HA2 GLY A 83 -2.253 -11.306 -3.474 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -2.566 -13.001 -3.789 1.00 0.21 H new ATOM 1290 N GLN A 84 -3.138 -10.990 -6.281 1.00 0.22 N ATOM 1291 CA GLN A 84 -2.807 -10.736 -7.719 1.00 0.22 C ATOM 1292 C GLN A 84 -2.876 -9.234 -8.014 1.00 0.18 C ATOM 1293 O GLN A 84 -3.856 -8.584 -7.708 1.00 0.17 O ATOM 1294 CB GLN A 84 -3.813 -11.474 -8.600 1.00 0.35 C ATOM 1295 CG GLN A 84 -3.402 -12.943 -8.704 1.00 1.00 C ATOM 1296 CD GLN A 84 -4.641 -13.795 -8.984 1.00 1.53 C ATOM 1297 OE1 GLN A 84 -5.699 -13.573 -8.429 1.00 2.49 O ATOM 1298 NE2 GLN A 84 -4.554 -14.778 -9.837 1.00 1.72 N ATOM 0 H GLN A 84 -3.960 -10.498 -5.930 1.00 0.22 H new ATOM 0 HA GLN A 84 -1.798 -11.093 -7.927 1.00 0.22 H new ATOM 0 HB2 GLN A 84 -4.814 -11.393 -8.177 1.00 0.35 H new ATOM 0 HB3 GLN A 84 -3.848 -11.022 -9.591 1.00 0.35 H new ATOM 0 HG2 GLN A 84 -2.670 -13.072 -9.501 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -2.926 -13.266 -7.778 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -3.669 -14.969 -10.306 1.00 1.72 H new ATOM 0 HE22 GLN A 84 -5.371 -15.355 -10.035 1.00 1.72 H new ATOM 1307 N LYS A 85 -1.833 -8.714 -8.603 1.00 0.17 N ATOM 1308 CA LYS A 85 -1.822 -7.260 -8.920 1.00 0.15 C ATOM 1309 C LYS A 85 -2.903 -6.938 -9.957 1.00 0.22 C ATOM 1310 O LYS A 85 -3.161 -7.721 -10.850 1.00 0.42 O ATOM 1311 CB LYS A 85 -0.443 -6.885 -9.477 1.00 0.17 C ATOM 1312 CG LYS A 85 -0.296 -5.352 -9.513 1.00 0.17 C ATOM 1313 CD LYS A 85 1.197 -4.976 -9.602 1.00 0.17 C ATOM 1314 CE LYS A 85 1.761 -5.375 -10.974 1.00 0.23 C ATOM 1315 NZ LYS A 85 2.781 -6.451 -10.824 1.00 1.24 N ATOM 0 H LYS A 85 -0.996 -9.229 -8.876 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.026 -6.688 -8.015 1.00 0.15 H new ATOM 0 HB2 LYS A 85 0.341 -7.321 -8.857 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.321 -7.295 -10.480 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.835 -4.945 -10.368 1.00 0.17 H new ATOM 0 HG3 LYS A 85 -0.739 -4.913 -8.619 1.00 0.17 H new ATOM 0 HD2 LYS A 85 1.320 -3.904 -9.447 1.00 0.17 H new ATOM 0 HD3 LYS A 85 1.754 -5.478 -8.811 1.00 0.17 H new ATOM 0 HE2 LYS A 85 0.953 -5.719 -11.620 1.00 0.23 H new ATOM 0 HE3 LYS A 85 2.208 -4.506 -11.457 1.00 0.23 H new ATOM 0 HZ1 LYS A 85 3.153 -6.710 -11.760 1.00 1.24 H new ATOM 0 HZ2 LYS A 85 3.559 -6.110 -10.224 1.00 1.24 H new ATOM 0 HZ3 LYS A 85 2.344 -7.285 -10.383 1.00 1.24 H new ATOM 1329 N VAL A 86 -3.514 -5.790 -9.810 1.00 0.06 N ATOM 1330 CA VAL A 86 -4.586 -5.396 -10.776 1.00 0.11 C ATOM 1331 C VAL A 86 -4.455 -3.913 -11.151 1.00 0.07 C ATOM 1332 O VAL A 86 -4.838 -3.510 -12.231 1.00 0.05 O ATOM 1333 CB VAL A 86 -5.948 -5.642 -10.129 1.00 0.15 C ATOM 1334 CG1 VAL A 86 -6.338 -7.109 -10.322 1.00 0.18 C ATOM 1335 CG2 VAL A 86 -5.857 -5.336 -8.633 1.00 0.16 C ATOM 0 H VAL A 86 -3.320 -5.114 -9.071 1.00 0.06 H new ATOM 0 HA VAL A 86 -4.488 -5.992 -11.684 1.00 0.11 H new ATOM 0 HB VAL A 86 -6.697 -4.999 -10.590 1.00 0.15 H new ATOM 0 HG11 VAL A 86 -7.309 -7.291 -9.862 1.00 0.18 H new ATOM 0 HG12 VAL A 86 -6.393 -7.334 -11.387 1.00 0.18 H new ATOM 0 HG13 VAL A 86 -5.590 -7.749 -9.854 1.00 0.18 H new ATOM 0 HG21 VAL A 86 -6.827 -5.510 -8.166 1.00 0.16 H new ATOM 0 HG22 VAL A 86 -5.112 -5.985 -8.174 1.00 0.16 H new ATOM 0 HG23 VAL A 86 -5.568 -4.295 -8.492 1.00 0.16 H new ATOM 1345 N GLY A 87 -3.917 -3.132 -10.253 1.00 0.13 N ATOM 1346 CA GLY A 87 -3.759 -1.678 -10.551 1.00 0.12 C ATOM 1347 C GLY A 87 -2.496 -1.133 -9.885 1.00 0.13 C ATOM 1348 O GLY A 87 -2.105 -1.587 -8.829 1.00 0.24 O ATOM 0 H GLY A 87 -3.584 -3.432 -9.337 1.00 0.13 H new ATOM 0 HA2 GLY A 87 -3.705 -1.525 -11.629 1.00 0.12 H new ATOM 0 HA3 GLY A 87 -4.631 -1.130 -10.195 1.00 0.12 H new ATOM 1352 N GLU A 88 -1.878 -0.167 -10.512 1.00 0.11 N ATOM 1353 CA GLU A 88 -0.640 0.406 -9.912 1.00 0.11 C ATOM 1354 C GLU A 88 -0.377 1.816 -10.448 1.00 0.08 C ATOM 1355 O GLU A 88 -0.274 2.028 -11.640 1.00 0.08 O ATOM 1356 CB GLU A 88 0.540 -0.506 -10.256 1.00 0.14 C ATOM 1357 CG GLU A 88 1.842 0.296 -10.207 1.00 1.07 C ATOM 1358 CD GLU A 88 3.022 -0.670 -10.079 1.00 1.47 C ATOM 1359 OE1 GLU A 88 3.178 -1.457 -11.000 1.00 0.83 O ATOM 1360 OE2 GLU A 88 3.699 -0.568 -9.070 1.00 2.77 O ATOM 0 H GLU A 88 -2.171 0.244 -11.398 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.764 0.472 -8.831 1.00 0.11 H new ATOM 0 HB2 GLU A 88 0.587 -1.337 -9.553 1.00 0.14 H new ATOM 0 HB3 GLU A 88 0.403 -0.935 -11.248 1.00 0.14 H new ATOM 0 HG2 GLU A 88 1.946 0.899 -11.109 1.00 1.07 H new ATOM 0 HG3 GLU A 88 1.827 0.985 -9.363 1.00 1.07 H new ATOM 1367 N PHE A 89 -0.273 2.748 -9.542 1.00 0.09 N ATOM 1368 CA PHE A 89 0.000 4.149 -9.944 1.00 0.09 C ATOM 1369 C PHE A 89 0.835 4.837 -8.857 1.00 0.10 C ATOM 1370 O PHE A 89 0.539 4.720 -7.682 1.00 0.12 O ATOM 1371 CB PHE A 89 -1.331 4.864 -10.123 1.00 0.13 C ATOM 1372 CG PHE A 89 -1.763 5.514 -8.807 1.00 0.14 C ATOM 1373 CD1 PHE A 89 -1.254 6.744 -8.428 1.00 0.12 C ATOM 1374 CD2 PHE A 89 -2.672 4.878 -7.979 1.00 0.20 C ATOM 1375 CE1 PHE A 89 -1.648 7.326 -7.241 1.00 0.18 C ATOM 1376 CE2 PHE A 89 -3.065 5.463 -6.793 1.00 0.26 C ATOM 1377 CZ PHE A 89 -2.553 6.686 -6.427 1.00 0.25 C ATOM 0 H PHE A 89 -0.366 2.596 -8.538 1.00 0.09 H new ATOM 0 HA PHE A 89 0.558 4.177 -10.880 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -1.243 5.623 -10.900 1.00 0.13 H new ATOM 0 HB3 PHE A 89 -2.091 4.156 -10.454 1.00 0.13 H new ATOM 0 HD1 PHE A 89 -0.544 7.251 -9.065 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.076 3.918 -8.263 1.00 0.20 H new ATOM 0 HE1 PHE A 89 -1.245 8.285 -6.951 1.00 0.18 H new ATOM 0 HE2 PHE A 89 -3.775 4.961 -6.152 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.862 7.144 -5.499 1.00 0.25 H new ATOM 1387 N SER A 90 1.862 5.537 -9.272 1.00 0.09 N ATOM 1388 CA SER A 90 2.740 6.225 -8.272 1.00 0.13 C ATOM 1389 C SER A 90 2.532 7.739 -8.307 1.00 0.14 C ATOM 1390 O SER A 90 1.842 8.255 -9.165 1.00 0.17 O ATOM 1391 CB SER A 90 4.199 5.906 -8.591 1.00 0.14 C ATOM 1392 OG SER A 90 4.409 6.481 -9.873 1.00 0.25 O ATOM 0 H SER A 90 2.129 5.662 -10.248 1.00 0.09 H new ATOM 0 HA SER A 90 2.481 5.868 -7.275 1.00 0.13 H new ATOM 0 HB2 SER A 90 4.872 6.334 -7.848 1.00 0.14 H new ATOM 0 HB3 SER A 90 4.378 4.831 -8.602 1.00 0.14 H new ATOM 0 HG SER A 90 5.334 6.321 -10.156 1.00 0.25 H new ATOM 1398 N GLY A 91 3.142 8.417 -7.360 1.00 0.19 N ATOM 1399 CA GLY A 91 3.007 9.905 -7.300 1.00 0.22 C ATOM 1400 C GLY A 91 2.421 10.331 -5.952 1.00 0.29 C ATOM 1401 O GLY A 91 1.589 9.645 -5.391 1.00 0.37 O ATOM 0 H GLY A 91 3.724 8.004 -6.631 1.00 0.19 H new ATOM 0 HA2 GLY A 91 3.981 10.372 -7.444 1.00 0.22 H new ATOM 0 HA3 GLY A 91 2.365 10.252 -8.109 1.00 0.22 H new ATOM 1405 N ALA A 92 2.870 11.454 -5.459 1.00 0.28 N ATOM 1406 CA ALA A 92 2.349 11.944 -4.147 1.00 0.35 C ATOM 1407 C ALA A 92 0.902 12.443 -4.289 1.00 0.37 C ATOM 1408 O ALA A 92 0.501 13.378 -3.626 1.00 0.81 O ATOM 1409 CB ALA A 92 3.232 13.088 -3.656 1.00 0.36 C ATOM 0 H ALA A 92 3.569 12.050 -5.902 1.00 0.28 H new ATOM 0 HA ALA A 92 2.365 11.121 -3.432 1.00 0.35 H new ATOM 0 HB1 ALA A 92 2.858 13.451 -2.699 1.00 0.36 H new ATOM 0 HB2 ALA A 92 4.255 12.732 -3.535 1.00 0.36 H new ATOM 0 HB3 ALA A 92 3.214 13.899 -4.384 1.00 0.36 H new ATOM 1415 N ASN A 93 0.151 11.812 -5.153 1.00 0.41 N ATOM 1416 CA ASN A 93 -1.269 12.238 -5.335 1.00 0.38 C ATOM 1417 C ASN A 93 -2.142 11.602 -4.248 1.00 0.41 C ATOM 1418 O ASN A 93 -1.963 10.449 -3.907 1.00 0.64 O ATOM 1419 CB ASN A 93 -1.754 11.788 -6.713 1.00 0.28 C ATOM 1420 CG ASN A 93 -2.955 12.642 -7.131 1.00 0.26 C ATOM 1421 OD1 ASN A 93 -3.380 12.619 -8.269 1.00 0.67 O ATOM 1422 ND2 ASN A 93 -3.529 13.407 -6.243 1.00 0.41 N ATOM 0 H ASN A 93 0.454 11.030 -5.734 1.00 0.41 H new ATOM 0 HA ASN A 93 -1.338 13.323 -5.258 1.00 0.38 H new ATOM 0 HB2 ASN A 93 -0.951 11.887 -7.444 1.00 0.28 H new ATOM 0 HB3 ASN A 93 -2.034 10.735 -6.687 1.00 0.28 H new ATOM 0 HD21 ASN A 93 -4.330 13.981 -6.506 1.00 0.41 H new ATOM 0 HD22 ASN A 93 -3.177 13.431 -5.286 1.00 0.41 H new ATOM 1429 N LYS A 94 -3.071 12.369 -3.730 1.00 0.43 N ATOM 1430 CA LYS A 94 -3.961 11.829 -2.652 1.00 0.48 C ATOM 1431 C LYS A 94 -5.395 11.652 -3.165 1.00 0.33 C ATOM 1432 O LYS A 94 -5.934 10.563 -3.137 1.00 0.37 O ATOM 1433 CB LYS A 94 -3.964 12.805 -1.478 1.00 0.73 C ATOM 1434 CG LYS A 94 -2.524 13.195 -1.140 1.00 1.00 C ATOM 1435 CD LYS A 94 -2.295 14.655 -1.536 1.00 1.12 C ATOM 1436 CE LYS A 94 -0.854 15.049 -1.202 1.00 1.95 C ATOM 1437 NZ LYS A 94 -0.507 16.348 -1.847 1.00 2.92 N ATOM 0 H LYS A 94 -3.251 13.335 -4.003 1.00 0.43 H new ATOM 0 HA LYS A 94 -3.583 10.856 -2.338 1.00 0.48 H new ATOM 0 HB2 LYS A 94 -4.544 13.693 -1.730 1.00 0.73 H new ATOM 0 HB3 LYS A 94 -4.442 12.348 -0.612 1.00 0.73 H new ATOM 0 HG2 LYS A 94 -2.338 13.061 -0.074 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -1.825 12.548 -1.669 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -2.483 14.789 -2.601 1.00 1.12 H new ATOM 0 HD3 LYS A 94 -2.994 15.302 -1.005 1.00 1.12 H new ATOM 0 HE2 LYS A 94 -0.733 15.129 -0.122 1.00 1.95 H new ATOM 0 HE3 LYS A 94 -0.170 14.272 -1.543 1.00 1.95 H new ATOM 0 HZ1 LYS A 94 0.474 16.602 -1.611 1.00 2.92 H new ATOM 0 HZ2 LYS A 94 -0.603 16.260 -2.879 1.00 2.92 H new ATOM 0 HZ3 LYS A 94 -1.149 17.090 -1.502 1.00 2.92 H new ATOM 1451 N GLU A 95 -5.982 12.724 -3.625 1.00 0.22 N ATOM 1452 CA GLU A 95 -7.379 12.635 -4.135 1.00 0.08 C ATOM 1453 C GLU A 95 -7.500 11.500 -5.157 1.00 0.13 C ATOM 1454 O GLU A 95 -8.586 11.142 -5.567 1.00 0.18 O ATOM 1455 CB GLU A 95 -7.757 13.960 -4.795 1.00 0.18 C ATOM 1456 CG GLU A 95 -7.601 15.090 -3.776 1.00 0.76 C ATOM 1457 CD GLU A 95 -6.531 16.068 -4.262 1.00 2.08 C ATOM 1458 OE1 GLU A 95 -6.870 16.853 -5.132 1.00 2.16 O ATOM 1459 OE2 GLU A 95 -5.433 15.974 -3.737 1.00 3.26 O ATOM 0 H GLU A 95 -5.558 13.651 -3.669 1.00 0.22 H new ATOM 0 HA GLU A 95 -8.052 12.430 -3.302 1.00 0.08 H new ATOM 0 HB2 GLU A 95 -7.120 14.144 -5.661 1.00 0.18 H new ATOM 0 HB3 GLU A 95 -8.784 13.920 -5.157 1.00 0.18 H new ATOM 0 HG2 GLU A 95 -8.550 15.609 -3.644 1.00 0.76 H new ATOM 0 HG3 GLU A 95 -7.322 14.682 -2.804 1.00 0.76 H new ATOM 1466 N LYS A 96 -6.378 10.963 -5.545 1.00 0.17 N ATOM 1467 CA LYS A 96 -6.401 9.850 -6.538 1.00 0.26 C ATOM 1468 C LYS A 96 -6.734 8.517 -5.848 1.00 0.25 C ATOM 1469 O LYS A 96 -7.567 7.768 -6.316 1.00 0.25 O ATOM 1470 CB LYS A 96 -5.029 9.753 -7.203 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.034 8.595 -8.203 1.00 0.53 C ATOM 1472 CD LYS A 96 -3.958 8.843 -9.264 1.00 1.29 C ATOM 1473 CE LYS A 96 -4.581 9.584 -10.448 1.00 0.43 C ATOM 1474 NZ LYS A 96 -5.444 8.666 -11.243 1.00 1.87 N ATOM 0 H LYS A 96 -5.452 11.243 -5.222 1.00 0.17 H new ATOM 0 HA LYS A 96 -7.168 10.053 -7.285 1.00 0.26 H new ATOM 0 HB2 LYS A 96 -4.792 10.687 -7.712 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.257 9.595 -6.450 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -4.844 7.653 -7.688 1.00 0.53 H new ATOM 0 HG3 LYS A 96 -6.013 8.509 -8.674 1.00 0.53 H new ATOM 0 HD2 LYS A 96 -3.142 9.429 -8.841 1.00 1.29 H new ATOM 0 HD3 LYS A 96 -3.532 7.896 -9.596 1.00 1.29 H new ATOM 0 HE2 LYS A 96 -5.171 10.426 -10.087 1.00 0.43 H new ATOM 0 HE3 LYS A 96 -3.795 9.994 -11.082 1.00 0.43 H new ATOM 0 HZ1 LYS A 96 -5.527 9.024 -12.216 1.00 1.87 H new ATOM 0 HZ2 LYS A 96 -5.020 7.717 -11.258 1.00 1.87 H new ATOM 0 HZ3 LYS A 96 -6.389 8.616 -10.811 1.00 1.87 H new ATOM 1488 N LEU A 97 -6.080 8.253 -4.747 1.00 0.24 N ATOM 1489 CA LEU A 97 -6.345 6.967 -4.027 1.00 0.23 C ATOM 1490 C LEU A 97 -7.852 6.721 -3.890 1.00 0.23 C ATOM 1491 O LEU A 97 -8.369 5.744 -4.386 1.00 0.15 O ATOM 1492 CB LEU A 97 -5.726 7.024 -2.626 1.00 0.24 C ATOM 1493 CG LEU A 97 -4.213 7.233 -2.733 1.00 0.31 C ATOM 1494 CD1 LEU A 97 -3.708 7.907 -1.452 1.00 0.41 C ATOM 1495 CD2 LEU A 97 -3.517 5.875 -2.891 1.00 0.54 C ATOM 0 H LEU A 97 -5.383 8.861 -4.318 1.00 0.24 H new ATOM 0 HA LEU A 97 -5.901 6.155 -4.604 1.00 0.23 H new ATOM 0 HB2 LEU A 97 -6.174 7.836 -2.054 1.00 0.24 H new ATOM 0 HB3 LEU A 97 -5.937 6.100 -2.088 1.00 0.24 H new ATOM 0 HG LEU A 97 -3.992 7.860 -3.597 1.00 0.31 H new ATOM 0 HD11 LEU A 97 -2.631 8.059 -1.521 1.00 0.41 H new ATOM 0 HD12 LEU A 97 -4.203 8.870 -1.328 1.00 0.41 H new ATOM 0 HD13 LEU A 97 -3.930 7.272 -0.595 1.00 0.41 H new ATOM 0 HD21 LEU A 97 -2.440 6.025 -2.967 1.00 0.54 H new ATOM 0 HD22 LEU A 97 -3.736 5.251 -2.025 1.00 0.54 H new ATOM 0 HD23 LEU A 97 -3.880 5.383 -3.794 1.00 0.54 H new ATOM 1507 N GLU A 98 -8.520 7.616 -3.213 1.00 0.35 N ATOM 1508 CA GLU A 98 -9.995 7.447 -3.009 1.00 0.37 C ATOM 1509 C GLU A 98 -10.683 6.957 -4.289 1.00 0.34 C ATOM 1510 O GLU A 98 -11.137 5.833 -4.363 1.00 0.31 O ATOM 1511 CB GLU A 98 -10.595 8.787 -2.574 1.00 0.44 C ATOM 1512 CG GLU A 98 -11.737 8.525 -1.589 1.00 1.24 C ATOM 1513 CD GLU A 98 -12.558 9.804 -1.412 1.00 0.95 C ATOM 1514 OE1 GLU A 98 -12.138 10.607 -0.595 1.00 1.99 O ATOM 1515 OE2 GLU A 98 -13.559 9.904 -2.101 1.00 0.56 O ATOM 0 H GLU A 98 -8.115 8.453 -2.793 1.00 0.35 H new ATOM 0 HA GLU A 98 -10.157 6.695 -2.237 1.00 0.37 H new ATOM 0 HB2 GLU A 98 -9.830 9.408 -2.107 1.00 0.44 H new ATOM 0 HB3 GLU A 98 -10.964 9.334 -3.442 1.00 0.44 H new ATOM 0 HG2 GLU A 98 -12.372 7.720 -1.958 1.00 1.24 H new ATOM 0 HG3 GLU A 98 -11.337 8.201 -0.628 1.00 1.24 H new ATOM 1522 N ALA A 99 -10.748 7.808 -5.261 1.00 0.35 N ATOM 1523 CA ALA A 99 -11.414 7.416 -6.540 1.00 0.34 C ATOM 1524 C ALA A 99 -10.848 6.090 -7.058 1.00 0.29 C ATOM 1525 O ALA A 99 -11.588 5.214 -7.461 1.00 0.35 O ATOM 1526 CB ALA A 99 -11.183 8.511 -7.580 1.00 0.35 C ATOM 0 H ALA A 99 -10.373 8.756 -5.235 1.00 0.35 H new ATOM 0 HA ALA A 99 -12.482 7.291 -6.360 1.00 0.34 H new ATOM 0 HB1 ALA A 99 -11.666 8.232 -8.516 1.00 0.35 H new ATOM 0 HB2 ALA A 99 -11.605 9.449 -7.220 1.00 0.35 H new ATOM 0 HB3 ALA A 99 -10.113 8.634 -7.747 1.00 0.35 H new ATOM 1532 N THR A 100 -9.552 5.968 -7.040 1.00 0.18 N ATOM 1533 CA THR A 100 -8.936 4.705 -7.534 1.00 0.11 C ATOM 1534 C THR A 100 -9.481 3.506 -6.750 1.00 0.17 C ATOM 1535 O THR A 100 -9.703 2.450 -7.309 1.00 0.24 O ATOM 1536 CB THR A 100 -7.418 4.782 -7.367 1.00 0.04 C ATOM 1537 OG1 THR A 100 -7.062 6.067 -7.871 1.00 0.05 O ATOM 1538 CG2 THR A 100 -6.704 3.783 -8.274 1.00 0.13 C ATOM 0 H THR A 100 -8.898 6.678 -6.709 1.00 0.18 H new ATOM 0 HA THR A 100 -9.183 4.577 -8.588 1.00 0.11 H new ATOM 0 HB THR A 100 -7.148 4.589 -6.329 1.00 0.04 H new ATOM 0 HG1 THR A 100 -7.149 6.734 -7.158 1.00 0.05 H new ATOM 0 HG21 THR A 100 -5.627 3.865 -8.129 1.00 0.13 H new ATOM 0 HG22 THR A 100 -7.027 2.772 -8.027 1.00 0.13 H new ATOM 0 HG23 THR A 100 -6.948 3.998 -9.315 1.00 0.13 H new ATOM 1546 N ILE A 101 -9.688 3.690 -5.474 1.00 0.17 N ATOM 1547 CA ILE A 101 -10.230 2.566 -4.657 1.00 0.24 C ATOM 1548 C ILE A 101 -11.621 2.230 -5.168 1.00 0.28 C ATOM 1549 O ILE A 101 -11.985 1.078 -5.291 1.00 0.30 O ATOM 1550 CB ILE A 101 -10.275 2.987 -3.164 1.00 0.29 C ATOM 1551 CG1 ILE A 101 -9.052 2.412 -2.417 1.00 0.36 C ATOM 1552 CG2 ILE A 101 -11.557 2.453 -2.497 1.00 0.45 C ATOM 1553 CD1 ILE A 101 -7.773 3.106 -2.902 1.00 1.36 C ATOM 0 H ILE A 101 -9.508 4.557 -4.967 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.593 1.685 -4.742 1.00 0.24 H new ATOM 0 HB ILE A 101 -10.263 4.076 -3.114 1.00 0.29 H new ATOM 0 HG12 ILE A 101 -9.170 2.556 -1.343 1.00 0.36 H new ATOM 0 HG13 ILE A 101 -8.981 1.338 -2.589 1.00 0.36 H new ATOM 0 HG21 ILE A 101 -11.576 2.756 -1.450 1.00 0.45 H new ATOM 0 HG22 ILE A 101 -12.430 2.860 -3.008 1.00 0.45 H new ATOM 0 HG23 ILE A 101 -11.574 1.365 -2.561 1.00 0.45 H new ATOM 0 HD11 ILE A 101 -6.913 2.696 -2.372 1.00 1.36 H new ATOM 0 HD12 ILE A 101 -7.652 2.939 -3.972 1.00 1.36 H new ATOM 0 HD13 ILE A 101 -7.843 4.176 -2.707 1.00 1.36 H new ATOM 1565 N ASN A 102 -12.365 3.249 -5.460 1.00 0.29 N ATOM 1566 CA ASN A 102 -13.732 3.024 -5.990 1.00 0.35 C ATOM 1567 C ASN A 102 -13.630 2.293 -7.323 1.00 0.35 C ATOM 1568 O ASN A 102 -14.610 1.802 -7.848 1.00 0.38 O ATOM 1569 CB ASN A 102 -14.421 4.371 -6.193 1.00 0.38 C ATOM 1570 CG ASN A 102 -15.224 4.334 -7.494 1.00 0.92 C ATOM 1571 OD1 ASN A 102 -16.424 4.148 -7.491 1.00 0.89 O ATOM 1572 ND2 ASN A 102 -14.600 4.507 -8.628 1.00 2.41 N ATOM 0 H ASN A 102 -12.090 4.226 -5.356 1.00 0.29 H new ATOM 0 HA ASN A 102 -14.312 2.425 -5.288 1.00 0.35 H new ATOM 0 HB2 ASN A 102 -15.079 4.587 -5.351 1.00 0.38 H new ATOM 0 HB3 ASN A 102 -13.680 5.170 -6.231 1.00 0.38 H new ATOM 0 HD21 ASN A 102 -15.120 4.486 -9.505 1.00 2.41 H new ATOM 0 HD22 ASN A 102 -13.592 4.664 -8.637 1.00 2.41 H new ATOM 1579 N GLU A 103 -12.433 2.240 -7.846 1.00 0.31 N ATOM 1580 CA GLU A 103 -12.231 1.545 -9.146 1.00 0.31 C ATOM 1581 C GLU A 103 -12.255 0.025 -8.953 1.00 0.32 C ATOM 1582 O GLU A 103 -12.925 -0.681 -9.681 1.00 0.36 O ATOM 1583 CB GLU A 103 -10.880 1.962 -9.726 1.00 0.26 C ATOM 1584 CG GLU A 103 -10.954 1.908 -11.254 1.00 0.29 C ATOM 1585 CD GLU A 103 -11.510 3.232 -11.781 1.00 1.28 C ATOM 1586 OE1 GLU A 103 -12.723 3.311 -11.876 1.00 2.38 O ATOM 1587 OE2 GLU A 103 -10.689 4.091 -12.057 1.00 1.36 O ATOM 0 H GLU A 103 -11.594 2.645 -7.431 1.00 0.31 H new ATOM 0 HA GLU A 103 -13.036 1.822 -9.827 1.00 0.31 H new ATOM 0 HB2 GLU A 103 -10.624 2.969 -9.397 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -10.094 1.299 -9.364 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -9.964 1.725 -11.671 1.00 0.29 H new ATOM 0 HG3 GLU A 103 -11.591 1.082 -11.570 1.00 0.29 H new ATOM 1594 N LEU A 104 -11.523 -0.448 -7.970 1.00 0.31 N ATOM 1595 CA LEU A 104 -11.482 -1.926 -7.730 1.00 0.34 C ATOM 1596 C LEU A 104 -12.353 -2.315 -6.525 1.00 0.41 C ATOM 1597 O LEU A 104 -12.480 -3.480 -6.208 1.00 0.44 O ATOM 1598 CB LEU A 104 -10.038 -2.353 -7.460 1.00 0.29 C ATOM 1599 CG LEU A 104 -9.108 -1.736 -8.512 1.00 0.17 C ATOM 1600 CD1 LEU A 104 -7.713 -2.339 -8.345 1.00 0.12 C ATOM 1601 CD2 LEU A 104 -9.632 -2.059 -9.915 1.00 0.21 C ATOM 0 H LEU A 104 -10.961 0.116 -7.333 1.00 0.31 H new ATOM 0 HA LEU A 104 -11.869 -2.429 -8.616 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -9.735 -2.035 -6.462 1.00 0.29 H new ATOM 0 HB3 LEU A 104 -9.960 -3.440 -7.485 1.00 0.29 H new ATOM 0 HG LEU A 104 -9.069 -0.654 -8.383 1.00 0.17 H new ATOM 0 HD11 LEU A 104 -7.040 -1.910 -9.087 1.00 0.12 H new ATOM 0 HD12 LEU A 104 -7.339 -2.119 -7.345 1.00 0.12 H new ATOM 0 HD13 LEU A 104 -7.764 -3.419 -8.484 1.00 0.12 H new ATOM 0 HD21 LEU A 104 -8.970 -1.620 -10.661 1.00 0.21 H new ATOM 0 HD22 LEU A 104 -9.665 -3.140 -10.051 1.00 0.21 H new ATOM 0 HD23 LEU A 104 -10.634 -1.648 -10.033 1.00 0.21 H new ATOM 1613 N VAL A 105 -12.933 -1.340 -5.878 1.00 0.45 N ATOM 1614 CA VAL A 105 -13.789 -1.665 -4.695 1.00 0.54 C ATOM 1615 C VAL A 105 -14.742 -2.815 -5.036 1.00 0.63 C ATOM 1616 O VAL A 105 -15.209 -2.815 -6.163 1.00 0.47 O ATOM 1617 CB VAL A 105 -14.600 -0.433 -4.299 1.00 0.51 C ATOM 1618 CG1 VAL A 105 -15.639 -0.141 -5.384 1.00 0.49 C ATOM 1619 CG2 VAL A 105 -15.319 -0.708 -2.976 1.00 0.51 C ATOM 1620 OXT VAL A 105 -14.952 -3.627 -4.149 1.00 1.62 O ATOM 0 H VAL A 105 -12.855 -0.350 -6.109 1.00 0.45 H new ATOM 0 HA VAL A 105 -13.150 -1.966 -3.865 1.00 0.54 H new ATOM 0 HB VAL A 105 -13.935 0.423 -4.187 1.00 0.51 H new ATOM 0 HG11 VAL A 105 -16.220 0.738 -5.104 1.00 0.49 H new ATOM 0 HG12 VAL A 105 -15.133 0.045 -6.332 1.00 0.49 H new ATOM 0 HG13 VAL A 105 -16.305 -0.997 -5.490 1.00 0.49 H new ATOM 0 HG21 VAL A 105 -15.900 0.168 -2.688 1.00 0.51 H new ATOM 0 HG22 VAL A 105 -15.986 -1.562 -3.095 1.00 0.51 H new ATOM 0 HG23 VAL A 105 -14.584 -0.927 -2.201 1.00 0.51 H new