USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1048 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 18 LYS NZ :NH3+ -152:sc= 1.2 (180deg=-0.259) USER MOD Set 1.2: B 32 GLN : amide:sc= -2.17! K(o=-0.97!,f=-5.8) USER MOD Set 2.1: B 27 GLN : amide:sc= -0.928 X(o=-0.91,f=-0.6) USER MOD Set 2.2: B 64 SER OG : rot -149:sc= 0.0136 USER MOD Set 3.1: A 32 GLN : amide:sc= -2.38! C(o=-1.1!,f=-7!) USER MOD Set 3.2: B 18 LYS NZ :NH3+ -163:sc= 1.3 (180deg=-0.263) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.853 X(o=-0.84,f=-0.55) USER MOD Set 4.2: A 64 SER OG : rot -149:sc= 0.00879 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0.9) USER MOD Single : A 23 TYR OH : rot 130:sc= -1.48! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00107 K(o=-0.0011,f=-2.4) USER MOD Single : A 45 SER OG : rot 180:sc= -0.159 USER MOD Single : A 51 GLN : amide:sc=-0.00195 K(o=-0.002,f=-1.1) USER MOD Single : A 52 CYS SG : rot 70:sc= 1.06 USER MOD Single : A 55 THR OG1 : rot -15:sc= 1.16 USER MOD Single : A 60 THR OG1 : rot -22:sc= 0.194 USER MOD Single : A 70 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 81 THR OG1 : rot 134:sc= 2.06 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.534) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -0.149 K(o=-0.15,f=-3.1!) USER MOD Single : B 19 LYS NZ :NH3+ -165:sc= 1.22 (180deg=0.859) USER MOD Single : B 23 TYR OH : rot 130:sc= -1.49! USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HD1:sc= -0.002 X(o=-0.002,f=-0.1) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= 0.0146 K(o=0.015,f=-2.5) USER MOD Single : B 45 SER OG : rot 180:sc= -0.0835 USER MOD Single : B 51 GLN : amide:sc=-0.00229 K(o=-0.0023,f=-0.95) USER MOD Single : B 52 CYS SG : rot 77:sc= 1.17 USER MOD Single : B 55 THR OG1 : rot -24:sc= 1.21 USER MOD Single : B 60 THR OG1 : rot -16:sc= 0.251 USER MOD Single : B 70 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : B 81 THR OG1 : rot 134:sc= 2 USER MOD Single : B 83 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.455) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 16.288 7.840 -2.549 1.00 2.26 N ATOM 2 CA MET A 15 15.221 7.456 -1.597 1.00 1.69 C ATOM 3 C MET A 15 13.995 6.956 -2.346 1.00 1.42 C ATOM 4 O MET A 15 13.075 7.722 -2.641 1.00 1.57 O ATOM 5 CB MET A 15 14.837 8.640 -0.704 1.00 1.82 C ATOM 6 CG MET A 15 15.936 9.072 0.252 1.00 2.22 C ATOM 7 SD MET A 15 15.423 10.426 1.328 1.00 3.04 S ATOM 8 CE MET A 15 16.895 10.640 2.326 1.00 3.68 C ATOM 0 HA MET A 15 15.604 6.653 -0.967 1.00 1.69 H new ATOM 0 HB2 MET A 15 14.565 9.486 -1.336 1.00 1.82 H new ATOM 0 HB3 MET A 15 13.951 8.375 -0.127 1.00 1.82 H new ATOM 0 HG2 MET A 15 16.237 8.221 0.863 1.00 2.22 H new ATOM 0 HG3 MET A 15 16.811 9.379 -0.321 1.00 2.22 H new ATOM 0 HE1 MET A 15 16.735 11.445 3.043 1.00 3.68 H new ATOM 0 HE2 MET A 15 17.109 9.715 2.861 1.00 3.68 H new ATOM 0 HE3 MET A 15 17.738 10.890 1.682 1.00 3.68 H new ATOM 20 N ASP A 16 13.989 5.663 -2.648 1.00 1.26 N ATOM 21 CA ASP A 16 12.895 5.039 -3.386 1.00 1.13 C ATOM 22 C ASP A 16 11.576 5.195 -2.647 1.00 0.92 C ATOM 23 O ASP A 16 11.464 4.860 -1.467 1.00 1.01 O ATOM 24 CB ASP A 16 13.176 3.551 -3.605 1.00 1.39 C ATOM 25 CG ASP A 16 14.302 3.301 -4.585 1.00 1.84 C ATOM 26 OD1 ASP A 16 15.478 3.314 -4.166 1.00 2.28 O ATOM 27 OD2 ASP A 16 14.015 3.078 -5.777 1.00 2.40 O ATOM 0 H ASP A 16 14.737 5.020 -2.390 1.00 1.26 H new ATOM 0 HA ASP A 16 12.821 5.542 -4.350 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.424 3.089 -2.649 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.270 3.065 -3.969 1.00 1.39 H new ATOM 32 N ASN A 17 10.579 5.713 -3.353 1.00 0.78 N ATOM 33 CA ASN A 17 9.246 5.894 -2.791 1.00 0.74 C ATOM 34 C ASN A 17 8.606 4.546 -2.511 1.00 0.61 C ATOM 35 O ASN A 17 7.872 4.390 -1.545 1.00 0.65 O ATOM 36 CB ASN A 17 8.358 6.686 -3.754 1.00 0.92 C ATOM 37 CG ASN A 17 6.976 6.950 -3.185 1.00 1.56 C ATOM 38 OD1 ASN A 17 6.817 7.193 -1.990 1.00 2.52 O ATOM 39 ND2 ASN A 17 5.966 6.884 -4.038 1.00 1.71 N ATOM 0 H ASN A 17 10.669 6.017 -4.322 1.00 0.78 H new ATOM 0 HA ASN A 17 9.344 6.450 -1.858 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.839 7.636 -3.989 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.263 6.137 -4.691 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.012 7.038 -3.712 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.142 6.680 -5.022 1.00 1.71 H new ATOM 46 N LYS A 18 8.917 3.570 -3.357 1.00 0.59 N ATOM 47 CA LYS A 18 8.308 2.248 -3.268 1.00 0.62 C ATOM 48 C LYS A 18 8.570 1.598 -1.912 1.00 0.53 C ATOM 49 O LYS A 18 7.646 1.110 -1.262 1.00 0.48 O ATOM 50 CB LYS A 18 8.819 1.338 -4.391 1.00 0.82 C ATOM 51 CG LYS A 18 8.173 1.591 -5.747 1.00 1.09 C ATOM 52 CD LYS A 18 8.585 2.929 -6.340 1.00 1.04 C ATOM 53 CE LYS A 18 7.937 3.159 -7.694 1.00 1.44 C ATOM 54 NZ LYS A 18 8.328 2.120 -8.686 1.00 1.90 N ATOM 0 H LYS A 18 9.591 3.671 -4.116 1.00 0.59 H new ATOM 0 HA LYS A 18 7.232 2.380 -3.379 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.897 1.468 -4.486 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.647 0.300 -4.108 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.449 0.791 -6.434 1.00 1.09 H new ATOM 0 HG3 LYS A 18 7.088 1.561 -5.642 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.303 3.732 -5.659 1.00 1.04 H new ATOM 0 HD3 LYS A 18 9.670 2.964 -6.443 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.853 3.162 -7.581 1.00 1.44 H new ATOM 0 HE3 LYS A 18 8.221 4.142 -8.069 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.287 2.522 -9.644 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 9.296 1.797 -8.487 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 7.674 1.314 -8.621 1.00 1.90 H new ATOM 68 N LYS A 19 9.822 1.606 -1.478 1.00 0.60 N ATOM 69 CA LYS A 19 10.182 0.964 -0.222 1.00 0.61 C ATOM 70 C LYS A 19 9.612 1.729 0.972 1.00 0.53 C ATOM 71 O LYS A 19 9.199 1.129 1.964 1.00 0.55 O ATOM 72 CB LYS A 19 11.702 0.822 -0.090 1.00 0.77 C ATOM 73 CG LYS A 19 12.458 2.142 -0.064 1.00 0.82 C ATOM 74 CD LYS A 19 13.918 1.939 0.311 1.00 1.19 C ATOM 75 CE LYS A 19 14.057 1.447 1.745 1.00 1.06 C ATOM 76 NZ LYS A 19 15.464 1.128 2.100 1.00 1.49 N ATOM 0 H LYS A 19 10.599 2.045 -1.971 1.00 0.60 H new ATOM 0 HA LYS A 19 9.745 -0.034 -0.227 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.925 0.272 0.824 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.072 0.222 -0.921 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.395 2.618 -1.042 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.988 2.818 0.650 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.374 1.219 -0.369 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.460 2.877 0.192 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.677 2.208 2.426 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.440 0.559 1.883 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.483 0.567 2.976 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.901 0.582 1.330 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.995 2.011 2.243 1.00 1.49 H new ATOM 90 N ARG A 20 9.577 3.051 0.867 1.00 0.54 N ATOM 91 CA ARG A 20 9.045 3.880 1.940 1.00 0.58 C ATOM 92 C ARG A 20 7.530 3.744 2.014 1.00 0.54 C ATOM 93 O ARG A 20 6.939 3.790 3.094 1.00 0.61 O ATOM 94 CB ARG A 20 9.445 5.343 1.739 1.00 0.70 C ATOM 95 CG ARG A 20 10.928 5.600 1.958 1.00 0.82 C ATOM 96 CD ARG A 20 11.294 7.048 1.672 1.00 1.01 C ATOM 97 NE ARG A 20 11.250 7.361 0.241 1.00 1.31 N ATOM 98 CZ ARG A 20 10.427 8.257 -0.308 1.00 1.45 C ATOM 99 NH1 ARG A 20 9.505 8.859 0.433 1.00 1.32 N ATOM 100 NH2 ARG A 20 10.524 8.548 -1.601 1.00 2.34 N ATOM 0 H ARG A 20 9.909 3.570 0.054 1.00 0.54 H new ATOM 0 HA ARG A 20 9.469 3.537 2.884 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.176 5.650 0.728 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.871 5.966 2.425 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.192 5.354 2.986 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.511 4.943 1.313 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.609 7.706 2.207 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.294 7.250 2.055 1.00 1.01 H new ATOM 0 HE ARG A 20 11.890 6.861 -0.376 1.00 1.31 H new ATOM 0 HH11 ARG A 20 9.424 8.637 1.425 1.00 1.32 H new ATOM 0 HH12 ARG A 20 8.878 9.543 0.010 1.00 1.32 H new ATOM 0 HH21 ARG A 20 11.229 8.086 -2.176 1.00 2.34 H new ATOM 0 HH22 ARG A 20 9.894 9.233 -2.018 1.00 2.34 H new ATOM 114 N LEU A 21 6.924 3.569 0.853 1.00 0.54 N ATOM 115 CA LEU A 21 5.494 3.339 0.741 1.00 0.59 C ATOM 116 C LEU A 21 5.085 2.080 1.503 1.00 0.57 C ATOM 117 O LEU A 21 4.143 2.098 2.296 1.00 0.64 O ATOM 118 CB LEU A 21 5.131 3.236 -0.753 1.00 0.64 C ATOM 119 CG LEU A 21 3.700 2.810 -1.092 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.707 3.500 -0.181 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.383 3.143 -2.543 1.00 0.61 C ATOM 0 H LEU A 21 7.412 3.582 -0.043 1.00 0.54 H new ATOM 0 HA LEU A 21 4.948 4.170 1.187 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.314 4.207 -1.214 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.815 2.528 -1.220 1.00 0.64 H new ATOM 0 HG LEU A 21 3.620 1.733 -0.945 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.696 3.184 -0.438 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.918 3.234 0.855 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.791 4.580 -0.303 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.363 2.835 -2.772 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.482 4.217 -2.700 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.077 2.615 -3.197 1.00 0.61 H new ATOM 133 N ALA A 22 5.825 1.005 1.285 1.00 0.56 N ATOM 134 CA ALA A 22 5.491 -0.288 1.863 1.00 0.63 C ATOM 135 C ALA A 22 5.480 -0.269 3.390 1.00 0.51 C ATOM 136 O ALA A 22 4.440 -0.499 4.006 1.00 0.44 O ATOM 137 CB ALA A 22 6.461 -1.343 1.367 1.00 0.83 C ATOM 0 H ALA A 22 6.666 1.002 0.708 1.00 0.56 H new ATOM 0 HA ALA A 22 4.479 -0.529 1.539 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.204 -2.308 1.804 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.402 -1.410 0.281 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.475 -1.071 1.659 1.00 0.83 H new ATOM 143 N TYR A 23 6.631 0.016 3.997 1.00 0.62 N ATOM 144 CA TYR A 23 6.787 -0.131 5.445 1.00 0.76 C ATOM 145 C TYR A 23 5.814 0.768 6.202 1.00 0.67 C ATOM 146 O TYR A 23 5.268 0.380 7.235 1.00 0.67 O ATOM 147 CB TYR A 23 8.235 0.164 5.875 1.00 1.11 C ATOM 148 CG TYR A 23 8.541 1.628 6.125 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.301 2.208 7.366 1.00 1.46 C ATOM 150 CD2 TYR A 23 9.061 2.429 5.119 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.568 3.541 7.595 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.328 3.766 5.341 1.00 2.48 C ATOM 153 CZ TYR A 23 9.080 4.316 6.577 1.00 2.23 C ATOM 154 OH TYR A 23 9.335 5.651 6.787 1.00 2.99 O ATOM 0 H TYR A 23 7.465 0.348 3.513 1.00 0.62 H new ATOM 0 HA TYR A 23 6.556 -1.166 5.696 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.450 -0.398 6.784 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.910 -0.207 5.104 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.898 1.603 8.165 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.260 2.001 4.148 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.377 3.975 8.565 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.730 4.377 4.547 1.00 2.48 H new ATOM 0 HH TYR A 23 10.244 5.861 6.488 1.00 2.99 H new ATOM 164 N ALA A 24 5.600 1.967 5.675 1.00 0.72 N ATOM 165 CA ALA A 24 4.730 2.943 6.320 1.00 0.87 C ATOM 166 C ALA A 24 3.303 2.424 6.411 1.00 0.75 C ATOM 167 O ALA A 24 2.635 2.578 7.437 1.00 0.84 O ATOM 168 CB ALA A 24 4.771 4.262 5.570 1.00 1.14 C ATOM 0 H ALA A 24 6.018 2.288 4.801 1.00 0.72 H new ATOM 0 HA ALA A 24 5.094 3.107 7.334 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.117 4.981 6.063 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.791 4.645 5.563 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.434 4.108 4.545 1.00 1.14 H new ATOM 174 N ILE A 25 2.840 1.802 5.337 1.00 0.62 N ATOM 175 CA ILE A 25 1.515 1.209 5.322 1.00 0.71 C ATOM 176 C ILE A 25 1.500 -0.051 6.182 1.00 0.61 C ATOM 177 O ILE A 25 0.539 -0.305 6.902 1.00 0.66 O ATOM 178 CB ILE A 25 1.056 0.877 3.885 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.036 2.139 3.030 1.00 0.97 C ATOM 180 CG2 ILE A 25 -0.322 0.239 3.887 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.514 1.901 1.633 1.00 0.89 C ATOM 0 H ILE A 25 3.362 1.696 4.467 1.00 0.62 H new ATOM 0 HA ILE A 25 0.817 1.938 5.733 1.00 0.71 H new ATOM 0 HB ILE A 25 1.767 0.167 3.462 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.418 2.892 3.519 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.046 2.546 2.970 1.00 0.97 H new ATOM 0 HG21 ILE A 25 -0.621 0.015 2.863 1.00 0.91 H new ATOM 0 HG22 ILE A 25 -0.295 -0.684 4.467 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -1.041 0.927 4.333 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.525 2.838 1.076 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.146 1.171 1.128 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.507 1.522 1.686 1.00 0.89 H new ATOM 193 N ILE A 26 2.589 -0.814 6.123 1.00 0.53 N ATOM 194 CA ILE A 26 2.731 -2.027 6.924 1.00 0.53 C ATOM 195 C ILE A 26 2.490 -1.750 8.407 1.00 0.51 C ATOM 196 O ILE A 26 1.716 -2.453 9.055 1.00 0.53 O ATOM 197 CB ILE A 26 4.129 -2.668 6.750 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.247 -3.336 5.374 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.399 -3.667 7.865 1.00 0.62 C ATOM 200 CD1 ILE A 26 5.608 -3.948 5.103 1.00 0.78 C ATOM 0 H ILE A 26 3.390 -0.612 5.525 1.00 0.53 H new ATOM 0 HA ILE A 26 1.975 -2.724 6.563 1.00 0.53 H new ATOM 0 HB ILE A 26 4.881 -1.882 6.810 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.487 -4.113 5.292 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.032 -2.597 4.602 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.386 -4.108 7.727 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.361 -3.157 8.828 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.644 -4.453 7.840 1.00 0.62 H new ATOM 0 HD11 ILE A 26 5.613 -4.401 4.111 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.372 -3.172 5.151 1.00 0.78 H new ATOM 0 HD13 ILE A 26 5.819 -4.712 5.851 1.00 0.78 H new ATOM 212 N GLN A 27 3.146 -0.722 8.935 1.00 0.54 N ATOM 213 CA GLN A 27 3.023 -0.384 10.350 1.00 0.62 C ATOM 214 C GLN A 27 1.579 -0.061 10.715 1.00 0.55 C ATOM 215 O GLN A 27 1.060 -0.547 11.718 1.00 0.57 O ATOM 216 CB GLN A 27 3.933 0.793 10.702 1.00 0.79 C ATOM 217 CG GLN A 27 5.412 0.472 10.565 1.00 0.89 C ATOM 218 CD GLN A 27 5.867 -0.645 11.489 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.767 -1.413 11.151 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.270 -0.734 12.668 1.00 1.34 N ATOM 0 H GLN A 27 3.767 -0.109 8.407 1.00 0.54 H new ATOM 0 HA GLN A 27 3.334 -1.254 10.929 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.690 1.637 10.056 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.730 1.107 11.726 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.623 0.191 9.533 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.994 1.369 10.776 1.00 0.89 H new ATOM 0 HE21 GLN A 27 4.527 -0.080 12.914 1.00 1.34 H new ATOM 0 HE22 GLN A 27 5.553 -1.457 13.330 1.00 1.34 H new ATOM 229 N PHE A 28 0.930 0.738 9.881 1.00 0.52 N ATOM 230 CA PHE A 28 -0.458 1.121 10.112 1.00 0.51 C ATOM 231 C PHE A 28 -1.382 -0.092 9.984 1.00 0.43 C ATOM 232 O PHE A 28 -2.348 -0.242 10.735 1.00 0.42 O ATOM 233 CB PHE A 28 -0.862 2.217 9.125 1.00 0.60 C ATOM 234 CG PHE A 28 -2.274 2.698 9.291 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.628 3.505 10.359 1.00 1.62 C ATOM 236 CD2 PHE A 28 -3.250 2.339 8.375 1.00 1.60 C ATOM 237 CE1 PHE A 28 -3.928 3.946 10.511 1.00 1.95 C ATOM 238 CE2 PHE A 28 -4.548 2.776 8.522 1.00 1.98 C ATOM 239 CZ PHE A 28 -4.890 3.580 9.592 1.00 1.83 C ATOM 0 H PHE A 28 1.342 1.135 9.036 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.554 1.508 11.126 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.185 3.063 9.241 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.734 1.842 8.109 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.879 3.793 11.082 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -2.990 1.710 7.537 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -4.191 4.576 11.348 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -5.299 2.490 7.800 1.00 1.98 H new ATOM 0 HZ PHE A 28 -5.908 3.921 9.709 1.00 1.83 H new ATOM 249 N LEU A 29 -1.071 -0.961 9.032 1.00 0.45 N ATOM 250 CA LEU A 29 -1.843 -2.178 8.824 1.00 0.45 C ATOM 251 C LEU A 29 -1.610 -3.168 9.959 1.00 0.45 C ATOM 252 O LEU A 29 -2.481 -3.976 10.272 1.00 0.48 O ATOM 253 CB LEU A 29 -1.491 -2.814 7.476 1.00 0.53 C ATOM 254 CG LEU A 29 -2.358 -2.373 6.288 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.463 -0.855 6.205 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.794 -2.938 4.993 1.00 0.70 C ATOM 0 H LEU A 29 -0.287 -0.845 8.390 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.900 -1.913 8.815 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.450 -2.586 7.248 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.565 -3.897 7.575 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.364 -2.765 6.441 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.084 -0.579 5.353 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.912 -0.471 7.121 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.468 -0.428 6.082 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.416 -2.620 4.156 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.777 -2.573 4.849 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.785 -4.027 5.045 1.00 0.70 H new ATOM 268 N HIS A 30 -0.434 -3.095 10.570 1.00 0.47 N ATOM 269 CA HIS A 30 -0.119 -3.906 11.740 1.00 0.53 C ATOM 270 C HIS A 30 -1.074 -3.573 12.881 1.00 0.47 C ATOM 271 O HIS A 30 -1.612 -4.469 13.536 1.00 0.49 O ATOM 272 CB HIS A 30 1.334 -3.672 12.175 1.00 0.67 C ATOM 273 CG HIS A 30 1.686 -4.309 13.486 1.00 0.93 C ATOM 274 ND1 HIS A 30 1.805 -3.595 14.659 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.946 -5.599 13.806 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.120 -4.417 15.641 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.211 -5.637 15.150 1.00 1.41 N ATOM 0 H HIS A 30 0.322 -2.478 10.272 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.237 -4.958 11.480 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.000 -4.058 11.404 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.514 -2.599 12.244 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.945 -6.440 13.129 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.277 -4.138 16.672 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.442 -6.475 15.684 1.00 1.41 H new ATOM 286 N ASP A 31 -1.278 -2.281 13.111 1.00 0.48 N ATOM 287 CA ASP A 31 -2.213 -1.829 14.132 1.00 0.51 C ATOM 288 C ASP A 31 -3.623 -2.295 13.797 1.00 0.45 C ATOM 289 O ASP A 31 -4.294 -2.902 14.628 1.00 0.49 O ATOM 290 CB ASP A 31 -2.175 -0.303 14.277 1.00 0.63 C ATOM 291 CG ASP A 31 -0.933 0.186 14.999 1.00 1.24 C ATOM 292 OD1 ASP A 31 -0.956 0.251 16.243 1.00 1.79 O ATOM 293 OD2 ASP A 31 0.068 0.513 14.332 1.00 1.98 O ATOM 0 H ASP A 31 -0.809 -1.530 12.605 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.914 -2.266 15.085 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -2.218 0.153 13.288 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -3.060 0.028 14.820 1.00 0.63 H new ATOM 298 N GLN A 32 -4.051 -2.031 12.567 1.00 0.42 N ATOM 299 CA GLN A 32 -5.357 -2.478 12.082 1.00 0.43 C ATOM 300 C GLN A 32 -5.548 -3.976 12.290 1.00 0.38 C ATOM 301 O GLN A 32 -6.625 -4.428 12.678 1.00 0.43 O ATOM 302 CB GLN A 32 -5.503 -2.160 10.594 1.00 0.52 C ATOM 303 CG GLN A 32 -5.902 -0.724 10.308 1.00 0.57 C ATOM 304 CD GLN A 32 -6.003 -0.408 8.822 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.834 0.403 8.412 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.146 -1.010 8.003 1.00 1.31 N ATOM 0 H GLN A 32 -3.509 -1.505 11.881 1.00 0.42 H new ATOM 0 HA GLN A 32 -6.118 -1.947 12.654 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.558 -2.371 10.093 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -6.249 -2.827 10.161 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.863 -0.521 10.781 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -5.174 -0.055 10.765 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.469 -1.677 8.374 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.165 -0.805 7.004 1.00 1.31 H new ATOM 315 N LEU A 33 -4.490 -4.731 12.033 1.00 0.36 N ATOM 316 CA LEU A 33 -4.530 -6.184 12.118 1.00 0.42 C ATOM 317 C LEU A 33 -4.876 -6.640 13.533 1.00 0.46 C ATOM 318 O LEU A 33 -5.795 -7.431 13.733 1.00 0.54 O ATOM 319 CB LEU A 33 -3.169 -6.757 11.692 1.00 0.53 C ATOM 320 CG LEU A 33 -3.169 -8.194 11.150 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.504 -9.208 12.234 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.144 -8.315 9.992 1.00 0.83 C ATOM 0 H LEU A 33 -3.582 -4.355 11.760 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.307 -6.553 11.449 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.748 -6.104 10.927 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.498 -6.716 12.550 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.162 -8.415 10.796 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.493 -10.212 11.809 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.765 -9.144 13.033 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.494 -8.995 12.638 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.136 -9.338 9.615 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.148 -8.062 10.333 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.849 -7.632 9.195 1.00 0.83 H new ATOM 334 N ARG A 34 -4.152 -6.122 14.510 1.00 0.47 N ATOM 335 CA ARG A 34 -4.272 -6.611 15.876 1.00 0.58 C ATOM 336 C ARG A 34 -5.310 -5.831 16.683 1.00 0.58 C ATOM 337 O ARG A 34 -5.733 -6.279 17.748 1.00 0.69 O ATOM 338 CB ARG A 34 -2.906 -6.572 16.563 1.00 0.69 C ATOM 339 CG ARG A 34 -1.879 -7.475 15.895 1.00 1.40 C ATOM 340 CD ARG A 34 -2.253 -8.943 16.034 1.00 1.45 C ATOM 341 NE ARG A 34 -1.480 -9.800 15.136 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.375 -11.120 15.280 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.906 -11.721 16.338 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.732 -11.841 14.370 1.00 3.49 N ATOM 0 H ARG A 34 -3.478 -5.367 14.386 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.623 -7.642 15.830 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.535 -5.547 16.564 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.021 -6.870 17.605 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.799 -7.217 14.839 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -0.899 -7.304 16.340 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.092 -9.261 17.064 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.316 -9.066 15.825 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.993 -9.362 14.354 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.396 -11.172 17.044 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.824 -12.732 16.445 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -0.317 -11.384 13.558 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.653 -12.852 14.483 1.00 3.49 H new ATOM 358 N HIS A 35 -5.729 -4.676 16.179 1.00 0.53 N ATOM 359 CA HIS A 35 -6.750 -3.882 16.863 1.00 0.58 C ATOM 360 C HIS A 35 -8.143 -4.210 16.340 1.00 0.58 C ATOM 361 O HIS A 35 -9.145 -3.744 16.879 1.00 0.74 O ATOM 362 CB HIS A 35 -6.486 -2.380 16.716 1.00 0.59 C ATOM 363 CG HIS A 35 -5.253 -1.902 17.420 1.00 1.15 C ATOM 364 ND1 HIS A 35 -4.535 -0.798 17.013 1.00 1.98 N ATOM 365 CD2 HIS A 35 -4.617 -2.376 18.519 1.00 1.61 C ATOM 366 CE1 HIS A 35 -3.513 -0.615 17.829 1.00 2.68 C ATOM 367 NE2 HIS A 35 -3.540 -1.558 18.750 1.00 2.42 N ATOM 0 H HIS A 35 -5.384 -4.270 15.309 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.699 -4.141 17.920 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.402 -2.139 15.656 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.346 -1.832 17.101 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -4.904 -3.237 19.104 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -2.779 0.174 17.755 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -2.869 -1.663 19.511 1.00 2.42 H new ATOM 376 N GLY A 36 -8.198 -5.012 15.283 1.00 0.49 N ATOM 377 CA GLY A 36 -9.474 -5.424 14.730 1.00 0.51 C ATOM 378 C GLY A 36 -10.101 -4.360 13.853 1.00 0.47 C ATOM 379 O GLY A 36 -11.303 -4.103 13.941 1.00 0.53 O ATOM 0 H GLY A 36 -7.381 -5.384 14.799 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.336 -6.335 14.147 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.157 -5.667 15.544 1.00 0.51 H new ATOM 383 N GLY A 37 -9.287 -3.733 13.014 1.00 0.41 N ATOM 384 CA GLY A 37 -9.794 -2.724 12.103 1.00 0.40 C ATOM 385 C GLY A 37 -10.645 -3.331 11.010 1.00 0.39 C ATOM 386 O GLY A 37 -11.872 -3.198 11.015 1.00 0.52 O ATOM 0 H GLY A 37 -8.284 -3.905 12.948 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.383 -1.995 12.659 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.959 -2.185 11.656 1.00 0.40 H new ATOM 390 N LEU A 38 -9.993 -3.995 10.065 1.00 0.36 N ATOM 391 CA LEU A 38 -10.688 -4.732 9.020 1.00 0.41 C ATOM 392 C LEU A 38 -11.390 -5.955 9.612 1.00 0.49 C ATOM 393 O LEU A 38 -11.178 -6.296 10.778 1.00 0.83 O ATOM 394 CB LEU A 38 -9.707 -5.168 7.923 1.00 0.44 C ATOM 395 CG LEU A 38 -9.109 -4.049 7.056 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.203 -3.227 6.394 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.181 -3.151 7.858 1.00 0.47 C ATOM 0 H LEU A 38 -8.976 -4.038 10.002 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.436 -4.075 8.576 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.887 -5.710 8.394 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.219 -5.872 7.267 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.517 -4.528 6.276 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -9.752 -2.442 5.787 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -10.810 -3.873 5.760 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -10.833 -2.775 7.160 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -7.778 -2.372 7.210 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -8.736 -2.691 8.676 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.362 -3.744 8.264 1.00 0.47 H new ATOM 409 N SER A 39 -12.221 -6.612 8.812 1.00 0.47 N ATOM 410 CA SER A 39 -12.967 -7.777 9.274 1.00 0.54 C ATOM 411 C SER A 39 -12.025 -8.970 9.465 1.00 0.48 C ATOM 412 O SER A 39 -10.897 -8.942 8.985 1.00 0.46 O ATOM 413 CB SER A 39 -14.079 -8.117 8.277 1.00 0.67 C ATOM 414 OG SER A 39 -15.025 -9.006 8.846 1.00 1.42 O ATOM 0 H SER A 39 -12.396 -6.358 7.840 1.00 0.47 H new ATOM 0 HA SER A 39 -13.424 -7.547 10.236 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.580 -7.202 7.962 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.645 -8.567 7.384 1.00 0.67 H new ATOM 0 HG SER A 39 -15.724 -9.204 8.189 1.00 1.42 H new ATOM 420 N SER A 40 -12.486 -10.011 10.156 1.00 0.60 N ATOM 421 CA SER A 40 -11.631 -11.149 10.497 1.00 0.61 C ATOM 422 C SER A 40 -11.024 -11.795 9.251 1.00 0.53 C ATOM 423 O SER A 40 -9.804 -11.940 9.152 1.00 0.50 O ATOM 424 CB SER A 40 -12.417 -12.191 11.294 1.00 0.77 C ATOM 425 OG SER A 40 -11.578 -13.257 11.712 1.00 1.63 O ATOM 0 H SER A 40 -13.446 -10.091 10.491 1.00 0.60 H new ATOM 0 HA SER A 40 -10.814 -10.769 11.111 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.872 -11.719 12.165 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.230 -12.583 10.683 1.00 0.77 H new ATOM 0 HG SER A 40 -12.105 -13.908 12.221 1.00 1.63 H new ATOM 431 N ASP A 41 -11.880 -12.169 8.304 1.00 0.57 N ATOM 432 CA ASP A 41 -11.428 -12.798 7.064 1.00 0.58 C ATOM 433 C ASP A 41 -10.466 -11.881 6.319 1.00 0.53 C ATOM 434 O ASP A 41 -9.494 -12.333 5.708 1.00 0.56 O ATOM 435 CB ASP A 41 -12.626 -13.133 6.172 1.00 0.71 C ATOM 436 CG ASP A 41 -12.209 -13.766 4.860 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.937 -14.986 4.842 1.00 2.20 O ATOM 438 OD2 ASP A 41 -12.152 -13.048 3.840 1.00 1.69 O ATOM 0 H ASP A 41 -12.891 -12.048 8.370 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.906 -13.721 7.318 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -13.293 -13.811 6.704 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -13.191 -12.223 5.970 1.00 0.71 H new ATOM 443 N ALA A 42 -10.742 -10.589 6.395 1.00 0.51 N ATOM 444 CA ALA A 42 -9.894 -9.583 5.783 1.00 0.51 C ATOM 445 C ALA A 42 -8.543 -9.528 6.481 1.00 0.47 C ATOM 446 O ALA A 42 -7.507 -9.539 5.832 1.00 0.52 O ATOM 447 CB ALA A 42 -10.575 -8.230 5.840 1.00 0.54 C ATOM 0 H ALA A 42 -11.556 -10.211 6.880 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.728 -9.851 4.739 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.933 -7.480 5.379 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.522 -8.277 5.303 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.760 -7.959 6.879 1.00 0.54 H new ATOM 453 N GLN A 43 -8.582 -9.479 7.810 1.00 0.44 N ATOM 454 CA GLN A 43 -7.384 -9.472 8.651 1.00 0.45 C ATOM 455 C GLN A 43 -6.414 -10.575 8.260 1.00 0.45 C ATOM 456 O GLN A 43 -5.253 -10.317 7.955 1.00 0.48 O ATOM 457 CB GLN A 43 -7.784 -9.674 10.109 1.00 0.49 C ATOM 458 CG GLN A 43 -8.232 -8.413 10.821 1.00 0.82 C ATOM 459 CD GLN A 43 -8.896 -8.722 12.146 1.00 0.85 C ATOM 460 OE1 GLN A 43 -10.116 -8.856 12.233 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.095 -8.879 13.177 1.00 1.12 N ATOM 0 H GLN A 43 -9.453 -9.443 8.340 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.891 -8.510 8.513 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.590 -10.406 10.153 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -6.938 -10.099 10.649 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.372 -7.765 10.988 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -8.927 -7.864 10.185 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.088 -8.759 13.064 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.480 -9.121 14.090 1.00 1.12 H new ATOM 470 N GLU A 44 -6.902 -11.802 8.314 1.00 0.49 N ATOM 471 CA GLU A 44 -6.125 -12.979 7.924 1.00 0.54 C ATOM 472 C GLU A 44 -5.340 -12.743 6.629 1.00 0.51 C ATOM 473 O GLU A 44 -4.124 -12.923 6.593 1.00 0.50 O ATOM 474 CB GLU A 44 -7.049 -14.183 7.751 1.00 0.68 C ATOM 475 CG GLU A 44 -7.851 -14.520 8.997 1.00 1.20 C ATOM 476 CD GLU A 44 -8.706 -15.755 8.817 1.00 1.65 C ATOM 477 OE1 GLU A 44 -9.857 -15.629 8.343 1.00 2.36 O ATOM 478 OE2 GLU A 44 -8.233 -16.861 9.149 1.00 2.20 O ATOM 0 H GLU A 44 -7.848 -12.017 8.629 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.407 -13.175 8.720 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.737 -13.987 6.929 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.452 -15.050 7.468 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -7.170 -14.672 9.834 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.489 -13.674 9.255 1.00 1.20 H new ATOM 485 N SER A 45 -6.034 -12.318 5.579 1.00 0.54 N ATOM 486 CA SER A 45 -5.392 -12.082 4.290 1.00 0.59 C ATOM 487 C SER A 45 -4.553 -10.800 4.331 1.00 0.55 C ATOM 488 O SER A 45 -3.551 -10.672 3.624 1.00 0.58 O ATOM 489 CB SER A 45 -6.450 -11.997 3.183 1.00 0.71 C ATOM 490 OG SER A 45 -5.857 -12.014 1.893 1.00 1.04 O ATOM 0 H SER A 45 -7.036 -12.130 5.594 1.00 0.54 H new ATOM 0 HA SER A 45 -4.726 -12.917 4.075 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.144 -12.833 3.277 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.033 -11.084 3.305 1.00 0.71 H new ATOM 0 HG SER A 45 -6.558 -11.960 1.210 1.00 1.04 H new ATOM 496 N LEU A 46 -4.961 -9.869 5.183 1.00 0.56 N ATOM 497 CA LEU A 46 -4.283 -8.594 5.341 1.00 0.60 C ATOM 498 C LEU A 46 -2.877 -8.791 5.897 1.00 0.50 C ATOM 499 O LEU A 46 -1.921 -8.184 5.415 1.00 0.48 O ATOM 500 CB LEU A 46 -5.104 -7.694 6.271 1.00 0.74 C ATOM 501 CG LEU A 46 -4.472 -6.355 6.627 1.00 0.75 C ATOM 502 CD1 LEU A 46 -4.223 -5.527 5.377 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.353 -5.592 7.604 1.00 1.14 C ATOM 0 H LEU A 46 -5.776 -9.980 5.786 1.00 0.56 H new ATOM 0 HA LEU A 46 -4.192 -8.119 4.364 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -6.070 -7.505 5.803 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -5.299 -8.239 7.195 1.00 0.74 H new ATOM 0 HG LEU A 46 -3.512 -6.548 7.105 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -3.771 -4.575 5.655 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -3.550 -6.067 4.711 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -5.169 -5.344 4.867 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -4.885 -4.638 7.847 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -6.328 -5.413 7.151 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.478 -6.177 8.515 1.00 1.14 H new ATOM 515 N GLU A 47 -2.754 -9.648 6.904 1.00 0.49 N ATOM 516 CA GLU A 47 -1.456 -9.930 7.499 1.00 0.48 C ATOM 517 C GLU A 47 -0.567 -10.657 6.497 1.00 0.43 C ATOM 518 O GLU A 47 0.639 -10.424 6.439 1.00 0.45 O ATOM 519 CB GLU A 47 -1.608 -10.752 8.780 1.00 0.55 C ATOM 520 CG GLU A 47 -0.297 -10.962 9.521 1.00 0.81 C ATOM 521 CD GLU A 47 -0.486 -11.626 10.866 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.008 -12.760 10.905 1.00 1.51 O ATOM 523 OE2 GLU A 47 -0.101 -11.023 11.890 1.00 1.76 O ATOM 0 H GLU A 47 -3.533 -10.156 7.323 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.985 -8.983 7.763 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.315 -10.252 9.442 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.036 -11.723 8.531 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.367 -11.572 8.909 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.194 -9.999 9.662 1.00 0.81 H new ATOM 530 N VAL A 48 -1.174 -11.524 5.694 1.00 0.41 N ATOM 531 CA VAL A 48 -0.454 -12.192 4.618 1.00 0.42 C ATOM 532 C VAL A 48 0.093 -11.154 3.643 1.00 0.41 C ATOM 533 O VAL A 48 1.252 -11.222 3.231 1.00 0.43 O ATOM 534 CB VAL A 48 -1.353 -13.191 3.855 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.591 -13.852 2.717 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.903 -14.248 4.799 1.00 0.49 C ATOM 0 H VAL A 48 -2.159 -11.779 5.768 1.00 0.41 H new ATOM 0 HA VAL A 48 0.365 -12.754 5.068 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.187 -12.632 3.431 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.247 -14.550 2.197 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.246 -13.089 2.019 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.267 -14.391 3.118 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.533 -14.941 4.242 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.077 -14.794 5.254 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.494 -13.767 5.579 1.00 0.49 H new ATOM 546 N ALA A 49 -0.749 -10.181 3.303 1.00 0.41 N ATOM 547 CA ALA A 49 -0.361 -9.094 2.413 1.00 0.43 C ATOM 548 C ALA A 49 0.828 -8.324 2.971 1.00 0.43 C ATOM 549 O ALA A 49 1.725 -7.940 2.226 1.00 0.48 O ATOM 550 CB ALA A 49 -1.530 -8.150 2.186 1.00 0.44 C ATOM 0 H ALA A 49 -1.712 -10.125 3.635 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.068 -9.533 1.459 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.223 -7.344 1.519 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.358 -8.698 1.736 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.849 -7.730 3.140 1.00 0.44 H new ATOM 556 N ILE A 50 0.829 -8.110 4.283 1.00 0.40 N ATOM 557 CA ILE A 50 1.912 -7.397 4.954 1.00 0.40 C ATOM 558 C ILE A 50 3.266 -8.038 4.655 1.00 0.38 C ATOM 559 O ILE A 50 4.171 -7.381 4.134 1.00 0.41 O ATOM 560 CB ILE A 50 1.687 -7.346 6.483 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.458 -6.489 6.810 1.00 0.53 C ATOM 562 CG2 ILE A 50 2.923 -6.810 7.191 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.139 -6.413 8.289 1.00 0.61 C ATOM 0 H ILE A 50 0.086 -8.423 4.907 1.00 0.40 H new ATOM 0 HA ILE A 50 1.913 -6.378 4.566 1.00 0.40 H new ATOM 0 HB ILE A 50 1.507 -8.360 6.841 1.00 0.43 H new ATOM 0 HG12 ILE A 50 0.619 -5.480 6.431 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.406 -6.893 6.282 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.743 -6.782 8.266 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.773 -7.460 6.982 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.139 -5.803 6.833 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.742 -5.790 8.440 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.056 -7.415 8.671 1.00 0.61 H new ATOM 0 HD13 ILE A 50 0.985 -5.980 8.822 1.00 0.61 H new ATOM 575 N GLN A 51 3.396 -9.321 4.971 1.00 0.39 N ATOM 576 CA GLN A 51 4.640 -10.047 4.735 1.00 0.43 C ATOM 577 C GLN A 51 4.971 -10.132 3.247 1.00 0.43 C ATOM 578 O GLN A 51 6.144 -10.143 2.869 1.00 0.47 O ATOM 579 CB GLN A 51 4.571 -11.449 5.342 1.00 0.50 C ATOM 580 CG GLN A 51 5.134 -11.534 6.754 1.00 0.78 C ATOM 581 CD GLN A 51 4.358 -10.715 7.766 1.00 1.02 C ATOM 582 OE1 GLN A 51 3.150 -10.533 7.642 1.00 1.84 O ATOM 583 NE2 GLN A 51 5.052 -10.211 8.775 1.00 1.35 N ATOM 0 H GLN A 51 2.655 -9.881 5.392 1.00 0.39 H new ATOM 0 HA GLN A 51 5.439 -9.489 5.223 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.532 -11.779 5.354 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.118 -12.140 4.700 1.00 0.50 H new ATOM 0 HG2 GLN A 51 5.141 -12.577 7.071 1.00 0.78 H new ATOM 0 HG3 GLN A 51 6.170 -11.197 6.744 1.00 0.78 H new ATOM 0 HE21 GLN A 51 6.055 -10.386 8.842 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.584 -9.648 9.485 1.00 1.35 H new ATOM 592 N CYS A 52 3.945 -10.182 2.408 1.00 0.45 N ATOM 593 CA CYS A 52 4.153 -10.226 0.968 1.00 0.53 C ATOM 594 C CYS A 52 4.706 -8.895 0.462 1.00 0.53 C ATOM 595 O CYS A 52 5.653 -8.872 -0.321 1.00 0.60 O ATOM 596 CB CYS A 52 2.853 -10.580 0.246 1.00 0.59 C ATOM 597 SG CYS A 52 2.205 -12.215 0.659 1.00 0.69 S ATOM 0 H CYS A 52 2.967 -10.193 2.697 1.00 0.45 H new ATOM 0 HA CYS A 52 4.886 -11.004 0.752 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.100 -9.830 0.487 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.021 -10.528 -0.830 1.00 0.59 H new ATOM 0 HG CYS A 52 1.770 -12.213 1.884 1.00 0.69 H new ATOM 603 N LEU A 53 4.127 -7.788 0.926 1.00 0.50 N ATOM 604 CA LEU A 53 4.621 -6.455 0.576 1.00 0.54 C ATOM 605 C LEU A 53 6.047 -6.280 1.081 1.00 0.51 C ATOM 606 O LEU A 53 6.895 -5.698 0.402 1.00 0.58 O ATOM 607 CB LEU A 53 3.728 -5.365 1.180 1.00 0.63 C ATOM 608 CG LEU A 53 2.286 -5.329 0.670 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.478 -4.306 1.452 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.249 -5.005 -0.817 1.00 0.61 C ATOM 0 H LEU A 53 3.316 -7.787 1.545 1.00 0.50 H new ATOM 0 HA LEU A 53 4.602 -6.360 -0.510 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.708 -5.496 2.262 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.187 -4.396 0.985 1.00 0.63 H new ATOM 0 HG LEU A 53 1.844 -6.314 0.817 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.454 -4.290 1.080 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.476 -4.574 2.508 1.00 0.76 H new ATOM 0 HD13 LEU A 53 1.924 -3.319 1.329 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.214 -4.984 -1.159 1.00 0.61 H new ATOM 0 HD22 LEU A 53 2.707 -4.031 -0.989 1.00 0.61 H new ATOM 0 HD23 LEU A 53 2.799 -5.767 -1.369 1.00 0.61 H new ATOM 622 N GLU A 54 6.288 -6.797 2.279 1.00 0.47 N ATOM 623 CA GLU A 54 7.605 -6.779 2.895 1.00 0.51 C ATOM 624 C GLU A 54 8.654 -7.362 1.951 1.00 0.56 C ATOM 625 O GLU A 54 9.636 -6.701 1.612 1.00 0.65 O ATOM 626 CB GLU A 54 7.554 -7.565 4.213 1.00 0.56 C ATOM 627 CG GLU A 54 8.902 -7.781 4.880 1.00 0.73 C ATOM 628 CD GLU A 54 9.335 -9.232 4.852 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.971 -9.655 3.862 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.032 -9.962 5.817 1.00 1.65 O ATOM 0 H GLU A 54 5.571 -7.242 2.852 1.00 0.47 H new ATOM 0 HA GLU A 54 7.892 -5.748 3.104 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.901 -7.038 4.909 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.099 -8.537 4.022 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.654 -7.171 4.379 1.00 0.73 H new ATOM 0 HG3 GLU A 54 8.851 -7.440 5.914 1.00 0.73 H new ATOM 637 N THR A 55 8.423 -8.587 1.505 1.00 0.61 N ATOM 638 CA THR A 55 9.369 -9.275 0.642 1.00 0.78 C ATOM 639 C THR A 55 9.374 -8.676 -0.768 1.00 0.83 C ATOM 640 O THR A 55 10.421 -8.593 -1.416 1.00 0.98 O ATOM 641 CB THR A 55 9.036 -10.776 0.578 1.00 0.95 C ATOM 642 OG1 THR A 55 8.880 -11.283 1.912 1.00 1.00 O ATOM 643 CG2 THR A 55 10.131 -11.556 -0.135 1.00 1.16 C ATOM 0 H THR A 55 7.586 -9.126 1.727 1.00 0.61 H new ATOM 0 HA THR A 55 10.365 -9.147 1.066 1.00 0.78 H new ATOM 0 HB THR A 55 8.110 -10.899 0.016 1.00 0.95 H new ATOM 0 HG1 THR A 55 9.246 -10.638 2.552 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.865 -12.613 -0.163 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.240 -11.182 -1.153 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.073 -11.433 0.400 1.00 1.16 H new ATOM 651 N ALA A 56 8.205 -8.238 -1.228 1.00 0.77 N ATOM 652 CA ALA A 56 8.065 -7.652 -2.557 1.00 0.88 C ATOM 653 C ALA A 56 8.922 -6.401 -2.708 1.00 0.88 C ATOM 654 O ALA A 56 9.711 -6.286 -3.644 1.00 1.15 O ATOM 655 CB ALA A 56 6.611 -7.316 -2.835 1.00 0.90 C ATOM 0 H ALA A 56 7.336 -8.279 -0.695 1.00 0.77 H new ATOM 0 HA ALA A 56 8.410 -8.390 -3.281 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.522 -6.880 -3.830 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.011 -8.225 -2.782 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.254 -6.602 -2.093 1.00 0.90 H new ATOM 661 N PHE A 57 8.773 -5.470 -1.783 1.00 0.76 N ATOM 662 CA PHE A 57 9.506 -4.221 -1.842 1.00 1.05 C ATOM 663 C PHE A 57 10.910 -4.374 -1.272 1.00 1.56 C ATOM 664 O PHE A 57 11.746 -3.477 -1.401 1.00 2.05 O ATOM 665 CB PHE A 57 8.748 -3.141 -1.083 1.00 1.04 C ATOM 666 CG PHE A 57 7.498 -2.674 -1.770 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.565 -1.729 -2.776 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.257 -3.162 -1.398 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.418 -1.273 -3.398 1.00 1.46 C ATOM 670 CE2 PHE A 57 5.107 -2.714 -2.018 1.00 1.50 C ATOM 671 CZ PHE A 57 5.188 -1.766 -3.018 1.00 0.92 C ATOM 0 H PHE A 57 8.149 -5.557 -0.981 1.00 0.76 H new ATOM 0 HA PHE A 57 9.600 -3.932 -2.889 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.487 -3.521 -0.095 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.408 -2.287 -0.932 1.00 1.04 H new ATOM 0 HD1 PHE A 57 8.526 -1.342 -3.080 1.00 1.47 H new ATOM 0 HD2 PHE A 57 6.187 -3.902 -0.614 1.00 1.50 H new ATOM 0 HE1 PHE A 57 6.485 -0.532 -4.180 1.00 1.46 H new ATOM 0 HE2 PHE A 57 4.145 -3.105 -1.721 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.290 -1.411 -3.502 1.00 0.92 H new ATOM 681 N GLY A 58 11.162 -5.513 -0.639 1.00 1.71 N ATOM 682 CA GLY A 58 12.461 -5.770 -0.051 1.00 2.29 C ATOM 683 C GLY A 58 12.683 -4.957 1.204 1.00 2.05 C ATOM 684 O GLY A 58 13.817 -4.632 1.554 1.00 2.60 O ATOM 0 H GLY A 58 10.485 -6.267 -0.522 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.550 -6.831 0.183 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.240 -5.537 -0.777 1.00 2.29 H new ATOM 688 N VAL A 59 11.595 -4.632 1.885 1.00 1.35 N ATOM 689 CA VAL A 59 11.661 -3.812 3.082 1.00 1.13 C ATOM 690 C VAL A 59 11.570 -4.676 4.326 1.00 1.04 C ATOM 691 O VAL A 59 11.073 -5.798 4.280 1.00 1.22 O ATOM 692 CB VAL A 59 10.543 -2.747 3.115 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.703 -1.779 1.961 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.166 -3.389 3.078 1.00 1.00 C ATOM 0 H VAL A 59 10.653 -4.926 1.627 1.00 1.35 H new ATOM 0 HA VAL A 59 12.622 -3.297 3.062 1.00 1.13 H new ATOM 0 HB VAL A 59 10.632 -2.198 4.052 1.00 0.93 H new ATOM 0 HG11 VAL A 59 9.908 -1.034 1.998 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.670 -1.281 2.035 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.647 -2.324 1.019 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.402 -2.612 3.103 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.061 -3.973 2.163 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.046 -4.043 3.942 1.00 1.00 H new ATOM 704 N THR A 60 12.078 -4.157 5.424 1.00 1.18 N ATOM 705 CA THR A 60 12.037 -4.855 6.690 1.00 1.30 C ATOM 706 C THR A 60 11.681 -3.897 7.819 1.00 1.16 C ATOM 707 O THR A 60 11.386 -2.724 7.574 1.00 1.15 O ATOM 708 CB THR A 60 13.397 -5.513 7.000 1.00 1.94 C ATOM 709 OG1 THR A 60 14.447 -4.550 6.831 1.00 2.24 O ATOM 710 CG2 THR A 60 13.652 -6.712 6.101 1.00 2.38 C ATOM 0 H THR A 60 12.529 -3.243 5.464 1.00 1.18 H new ATOM 0 HA THR A 60 11.273 -5.629 6.614 1.00 1.30 H new ATOM 0 HB THR A 60 13.377 -5.863 8.032 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.137 -3.828 6.245 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.619 -7.152 6.346 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.867 -7.453 6.252 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.653 -6.392 5.059 1.00 2.38 H new ATOM 718 N VAL A 61 11.717 -4.386 9.047 1.00 1.41 N ATOM 719 CA VAL A 61 11.503 -3.540 10.210 1.00 1.59 C ATOM 720 C VAL A 61 12.618 -2.489 10.321 1.00 1.83 C ATOM 721 O VAL A 61 12.428 -1.424 10.908 1.00 2.11 O ATOM 722 CB VAL A 61 11.409 -4.389 11.501 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.700 -5.151 11.749 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.048 -3.527 12.700 1.00 1.95 C ATOM 0 H VAL A 61 11.893 -5.367 9.265 1.00 1.41 H new ATOM 0 HA VAL A 61 10.554 -3.019 10.086 1.00 1.59 H new ATOM 0 HB VAL A 61 10.610 -5.118 11.361 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.606 -5.739 12.662 1.00 2.21 H new ATOM 0 HG12 VAL A 61 12.897 -5.816 10.908 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.524 -4.446 11.855 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.989 -4.151 13.592 1.00 1.95 H new ATOM 0 HG22 VAL A 61 11.812 -2.762 12.842 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.084 -3.049 12.527 1.00 1.95 H new ATOM 734 N GLU A 62 13.769 -2.779 9.714 1.00 1.89 N ATOM 735 CA GLU A 62 14.877 -1.826 9.666 1.00 2.16 C ATOM 736 C GLU A 62 14.464 -0.594 8.866 1.00 1.64 C ATOM 737 O GLU A 62 14.766 0.551 9.228 1.00 1.65 O ATOM 738 CB GLU A 62 16.106 -2.468 9.017 1.00 2.87 C ATOM 739 CG GLU A 62 16.551 -3.762 9.680 1.00 3.13 C ATOM 740 CD GLU A 62 16.869 -3.593 11.148 1.00 3.57 C ATOM 741 OE1 GLU A 62 17.894 -2.962 11.473 1.00 3.98 O ATOM 742 OE2 GLU A 62 16.103 -4.109 11.986 1.00 4.01 O ATOM 0 H GLU A 62 13.958 -3.667 9.249 1.00 1.89 H new ATOM 0 HA GLU A 62 15.128 -1.532 10.685 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.888 -2.666 7.967 1.00 2.87 H new ATOM 0 HB3 GLU A 62 16.931 -1.756 9.043 1.00 2.87 H new ATOM 0 HG2 GLU A 62 15.766 -4.510 9.567 1.00 3.13 H new ATOM 0 HG3 GLU A 62 17.432 -4.144 9.164 1.00 3.13 H new ATOM 749 N ASP A 63 13.738 -0.842 7.784 1.00 1.38 N ATOM 750 CA ASP A 63 13.241 0.218 6.923 1.00 1.61 C ATOM 751 C ASP A 63 12.117 0.972 7.615 1.00 1.60 C ATOM 752 O ASP A 63 11.685 2.025 7.161 1.00 1.95 O ATOM 753 CB ASP A 63 12.750 -0.363 5.597 1.00 1.89 C ATOM 754 CG ASP A 63 13.845 -1.094 4.851 1.00 2.88 C ATOM 755 OD1 ASP A 63 14.619 -0.436 4.125 1.00 3.62 O ATOM 756 OD2 ASP A 63 13.943 -2.330 4.995 1.00 3.35 O ATOM 0 H ASP A 63 13.479 -1.781 7.481 1.00 1.38 H new ATOM 0 HA ASP A 63 14.055 0.913 6.719 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.923 -1.047 5.787 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.362 0.441 4.972 1.00 1.89 H new ATOM 761 N SER A 64 11.649 0.416 8.719 1.00 1.54 N ATOM 762 CA SER A 64 10.652 1.068 9.543 1.00 1.81 C ATOM 763 C SER A 64 11.339 1.973 10.566 1.00 1.74 C ATOM 764 O SER A 64 10.724 2.882 11.124 1.00 1.93 O ATOM 765 CB SER A 64 9.784 0.012 10.238 1.00 2.41 C ATOM 766 OG SER A 64 8.727 0.599 10.975 1.00 2.91 O ATOM 0 H SER A 64 11.949 -0.495 9.066 1.00 1.54 H new ATOM 0 HA SER A 64 10.007 1.685 8.918 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.373 -0.668 9.492 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.404 -0.585 10.906 1.00 2.41 H new ATOM 0 HG SER A 64 8.516 0.037 11.749 1.00 2.91 H new ATOM 772 N ASP A 65 12.628 1.727 10.798 1.00 1.69 N ATOM 773 CA ASP A 65 13.412 2.562 11.703 1.00 2.03 C ATOM 774 C ASP A 65 13.683 3.914 11.070 1.00 1.90 C ATOM 775 O ASP A 65 13.713 4.934 11.756 1.00 2.28 O ATOM 776 CB ASP A 65 14.739 1.898 12.076 1.00 2.26 C ATOM 777 CG ASP A 65 14.561 0.689 12.962 1.00 2.89 C ATOM 778 OD1 ASP A 65 14.162 0.858 14.135 1.00 3.46 O ATOM 779 OD2 ASP A 65 14.816 -0.436 12.496 1.00 3.35 O ATOM 0 H ASP A 65 13.148 0.959 10.373 1.00 1.69 H new ATOM 0 HA ASP A 65 12.828 2.694 12.614 1.00 2.03 H new ATOM 0 HB2 ASP A 65 15.260 1.602 11.166 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.373 2.625 12.584 1.00 2.26 H new ATOM 784 N LEU A 66 13.860 3.920 9.752 1.00 1.52 N ATOM 785 CA LEU A 66 14.060 5.171 9.012 1.00 1.61 C ATOM 786 C LEU A 66 12.725 5.893 8.784 1.00 1.45 C ATOM 787 O LEU A 66 12.574 6.664 7.832 1.00 1.72 O ATOM 788 CB LEU A 66 14.791 4.904 7.681 1.00 1.77 C ATOM 789 CG LEU A 66 14.159 3.862 6.743 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.113 4.491 5.832 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.232 3.177 5.913 1.00 1.57 C ATOM 0 H LEU A 66 13.870 3.080 9.173 1.00 1.52 H new ATOM 0 HA LEU A 66 14.689 5.828 9.612 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.868 5.847 7.140 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.808 4.584 7.909 1.00 1.77 H new ATOM 0 HG LEU A 66 13.659 3.119 7.364 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.688 3.725 5.183 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.322 4.934 6.437 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.580 5.265 5.222 1.00 1.87 H new ATOM 0 HD21 LEU A 66 14.769 2.442 5.254 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.759 3.920 5.314 1.00 1.57 H new ATOM 0 HD23 LEU A 66 15.939 2.676 6.574 1.00 1.57 H new ATOM 803 N ALA A 67 11.785 5.650 9.695 1.00 1.30 N ATOM 804 CA ALA A 67 10.426 6.175 9.616 1.00 1.26 C ATOM 805 C ALA A 67 10.387 7.670 9.319 1.00 1.27 C ATOM 806 O ALA A 67 11.070 8.472 9.960 1.00 1.53 O ATOM 807 CB ALA A 67 9.688 5.887 10.910 1.00 1.48 C ATOM 0 H ALA A 67 11.950 5.074 10.521 1.00 1.30 H new ATOM 0 HA ALA A 67 9.935 5.671 8.783 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.674 6.281 10.846 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.649 4.810 11.075 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.210 6.363 11.740 1.00 1.48 H new ATOM 813 N LEU A 68 9.578 8.022 8.333 1.00 1.15 N ATOM 814 CA LEU A 68 9.373 9.407 7.942 1.00 1.28 C ATOM 815 C LEU A 68 8.591 10.159 9.020 1.00 1.55 C ATOM 816 O LEU A 68 7.920 9.531 9.844 1.00 1.55 O ATOM 817 CB LEU A 68 8.628 9.458 6.603 1.00 1.24 C ATOM 818 CG LEU A 68 9.399 8.883 5.411 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.514 8.830 4.178 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.643 9.709 5.133 1.00 1.18 C ATOM 0 H LEU A 68 9.043 7.353 7.779 1.00 1.15 H new ATOM 0 HA LEU A 68 10.343 9.892 7.828 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.689 8.914 6.706 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.373 10.495 6.385 1.00 1.24 H new ATOM 0 HG LEU A 68 9.706 7.867 5.660 1.00 1.18 H new ATOM 0 HD11 LEU A 68 9.079 8.419 3.342 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.649 8.197 4.378 1.00 1.20 H new ATOM 0 HD13 LEU A 68 8.177 9.836 3.928 1.00 1.20 H new ATOM 0 HD21 LEU A 68 11.178 9.286 4.283 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.355 10.735 4.906 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.290 9.699 6.010 1.00 1.18 H new ATOM 832 N PRO A 69 8.680 11.504 9.040 1.00 1.93 N ATOM 833 CA PRO A 69 8.028 12.341 10.057 1.00 2.35 C ATOM 834 C PRO A 69 6.586 11.932 10.342 1.00 2.24 C ATOM 835 O PRO A 69 6.196 11.743 11.497 1.00 2.61 O ATOM 836 CB PRO A 69 8.068 13.732 9.430 1.00 2.74 C ATOM 837 CG PRO A 69 9.302 13.726 8.599 1.00 2.56 C ATOM 838 CD PRO A 69 9.441 12.323 8.071 1.00 2.06 C ATOM 0 HA PRO A 69 8.529 12.263 11.022 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.182 13.921 8.824 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.105 14.511 10.192 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.226 14.444 7.783 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.173 14.008 9.191 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.034 12.232 7.064 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.486 12.016 8.021 1.00 2.06 H new ATOM 846 N GLN A 70 5.803 11.792 9.286 1.00 1.83 N ATOM 847 CA GLN A 70 4.404 11.425 9.414 1.00 1.81 C ATOM 848 C GLN A 70 4.149 10.101 8.713 1.00 1.42 C ATOM 849 O GLN A 70 4.859 9.739 7.772 1.00 1.30 O ATOM 850 CB GLN A 70 3.514 12.518 8.819 1.00 1.92 C ATOM 851 CG GLN A 70 3.794 12.799 7.353 1.00 1.65 C ATOM 852 CD GLN A 70 2.909 13.888 6.786 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.775 14.078 7.227 1.00 2.65 O ATOM 854 NE2 GLN A 70 3.416 14.603 5.798 1.00 2.75 N ATOM 0 H GLN A 70 6.116 11.928 8.325 1.00 1.83 H new ATOM 0 HA GLN A 70 4.163 11.317 10.471 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.470 12.226 8.931 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.651 13.437 9.389 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.838 13.088 7.236 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.650 11.884 6.778 1.00 1.65 H new ATOM 0 HE21 GLN A 70 4.360 14.412 5.463 1.00 2.75 H new ATOM 0 HE22 GLN A 70 2.863 15.346 5.370 1.00 2.75 H new ATOM 863 N THR A 71 3.147 9.376 9.182 1.00 1.36 N ATOM 864 CA THR A 71 2.777 8.115 8.574 1.00 1.13 C ATOM 865 C THR A 71 2.082 8.361 7.243 1.00 0.86 C ATOM 866 O THR A 71 1.298 9.298 7.091 1.00 0.83 O ATOM 867 CB THR A 71 1.862 7.290 9.499 1.00 1.23 C ATOM 868 OG1 THR A 71 0.803 8.111 10.005 1.00 1.53 O ATOM 869 CG2 THR A 71 2.652 6.699 10.655 1.00 1.55 C ATOM 0 H THR A 71 2.576 9.643 9.984 1.00 1.36 H new ATOM 0 HA THR A 71 3.690 7.544 8.407 1.00 1.13 H new ATOM 0 HB THR A 71 1.437 6.473 8.916 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.226 7.577 10.590 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.984 6.121 11.294 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.435 6.048 10.266 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.104 7.503 11.236 1.00 1.55 H new ATOM 877 N LEU A 72 2.387 7.504 6.284 1.00 0.80 N ATOM 878 CA LEU A 72 1.936 7.680 4.915 1.00 0.65 C ATOM 879 C LEU A 72 0.427 7.466 4.747 1.00 0.65 C ATOM 880 O LEU A 72 -0.211 8.230 4.026 1.00 0.66 O ATOM 881 CB LEU A 72 2.741 6.779 3.978 1.00 0.78 C ATOM 882 CG LEU A 72 4.026 7.411 3.432 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.946 7.855 4.560 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.746 6.444 2.505 1.00 1.79 C ATOM 0 H LEU A 72 2.953 6.668 6.432 1.00 0.80 H new ATOM 0 HA LEU A 72 2.116 8.721 4.645 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.000 5.863 4.510 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.108 6.492 3.138 1.00 0.78 H new ATOM 0 HG LEU A 72 3.746 8.296 2.861 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.849 8.299 4.140 1.00 1.47 H new ATOM 0 HD12 LEU A 72 4.433 8.591 5.179 1.00 1.47 H new ATOM 0 HD13 LEU A 72 5.216 6.993 5.170 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.656 6.911 2.128 1.00 1.79 H new ATOM 0 HD22 LEU A 72 5.004 5.538 3.053 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.095 6.189 1.669 1.00 1.79 H new ATOM 896 N PRO A 73 -0.184 6.437 5.376 1.00 0.75 N ATOM 897 CA PRO A 73 -1.647 6.305 5.387 1.00 0.84 C ATOM 898 C PRO A 73 -2.338 7.566 5.916 1.00 0.80 C ATOM 899 O PRO A 73 -3.442 7.906 5.490 1.00 0.82 O ATOM 900 CB PRO A 73 -1.891 5.121 6.323 1.00 1.03 C ATOM 901 CG PRO A 73 -0.652 4.307 6.212 1.00 1.07 C ATOM 902 CD PRO A 73 0.467 5.295 6.055 1.00 0.84 C ATOM 0 HA PRO A 73 -2.053 6.159 4.386 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.060 5.452 7.348 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.770 4.551 6.023 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.508 3.689 7.098 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.702 3.632 5.358 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.886 5.585 7.018 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.285 4.886 5.461 1.00 0.84 H new ATOM 910 N GLU A 74 -1.675 8.267 6.832 1.00 0.78 N ATOM 911 CA GLU A 74 -2.209 9.508 7.380 1.00 0.78 C ATOM 912 C GLU A 74 -2.083 10.635 6.356 1.00 0.64 C ATOM 913 O GLU A 74 -2.970 11.485 6.241 1.00 0.64 O ATOM 914 CB GLU A 74 -1.481 9.877 8.673 1.00 0.87 C ATOM 915 CG GLU A 74 -2.032 11.119 9.350 1.00 1.22 C ATOM 916 CD GLU A 74 -1.263 11.490 10.597 1.00 1.48 C ATOM 917 OE1 GLU A 74 -0.161 12.068 10.471 1.00 1.67 O ATOM 918 OE2 GLU A 74 -1.749 11.209 11.711 1.00 2.28 O ATOM 0 H GLU A 74 -0.767 7.996 7.210 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.265 9.362 7.609 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.543 9.038 9.366 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.425 10.032 8.453 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.004 11.953 8.649 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -3.078 10.954 9.608 1.00 1.22 H new ATOM 925 N ILE A 75 -0.975 10.633 5.615 1.00 0.58 N ATOM 926 CA ILE A 75 -0.781 11.575 4.516 1.00 0.53 C ATOM 927 C ILE A 75 -1.931 11.475 3.529 1.00 0.49 C ATOM 928 O ILE A 75 -2.553 12.472 3.169 1.00 0.53 O ATOM 929 CB ILE A 75 0.534 11.303 3.752 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.742 11.509 4.663 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.633 12.193 2.516 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.069 11.268 3.972 1.00 1.38 C ATOM 0 H ILE A 75 -0.198 9.988 5.757 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.737 12.571 4.956 1.00 0.53 H new ATOM 0 HB ILE A 75 0.528 10.263 3.425 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.724 12.527 5.052 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.660 10.839 5.519 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.566 11.986 1.992 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.208 11.990 1.853 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.612 13.240 2.819 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.882 11.433 4.679 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.108 10.242 3.607 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.173 11.956 3.133 1.00 1.38 H new ATOM 944 N PHE A 76 -2.212 10.253 3.109 1.00 0.50 N ATOM 945 CA PHE A 76 -3.266 9.994 2.145 1.00 0.56 C ATOM 946 C PHE A 76 -4.629 10.413 2.667 1.00 0.60 C ATOM 947 O PHE A 76 -5.467 10.897 1.907 1.00 0.72 O ATOM 948 CB PHE A 76 -3.284 8.518 1.772 1.00 0.65 C ATOM 949 CG PHE A 76 -2.442 8.142 0.578 1.00 2.05 C ATOM 950 CD1 PHE A 76 -2.002 9.080 -0.357 1.00 2.12 C ATOM 951 CD2 PHE A 76 -2.103 6.821 0.388 1.00 2.34 C ATOM 952 CE1 PHE A 76 -1.244 8.691 -1.437 1.00 2.24 C ATOM 953 CE2 PHE A 76 -1.349 6.431 -0.700 1.00 2.34 C ATOM 954 CZ PHE A 76 -0.918 7.367 -1.609 1.00 2.36 C ATOM 0 H PHE A 76 -1.719 9.418 3.425 1.00 0.50 H new ATOM 0 HA PHE A 76 -3.053 10.592 1.259 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.945 7.939 2.631 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -4.315 8.223 1.576 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -2.259 10.121 -0.231 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -2.432 6.079 1.101 1.00 2.34 H new ATOM 0 HE1 PHE A 76 -0.905 9.427 -2.151 1.00 2.24 H new ATOM 0 HE2 PHE A 76 -1.098 5.390 -0.837 1.00 2.34 H new ATOM 0 HZ PHE A 76 -0.324 7.063 -2.458 1.00 2.36 H new ATOM 964 N GLU A 77 -4.844 10.225 3.958 1.00 0.63 N ATOM 965 CA GLU A 77 -6.086 10.637 4.602 1.00 0.73 C ATOM 966 C GLU A 77 -6.345 12.123 4.331 1.00 0.69 C ATOM 967 O GLU A 77 -7.482 12.544 4.142 1.00 0.80 O ATOM 968 CB GLU A 77 -5.999 10.365 6.108 1.00 0.90 C ATOM 969 CG GLU A 77 -7.331 10.039 6.772 1.00 1.56 C ATOM 970 CD GLU A 77 -8.276 11.220 6.846 1.00 1.94 C ATOM 971 OE1 GLU A 77 -8.032 12.130 7.665 1.00 2.52 O ATOM 972 OE2 GLU A 77 -9.275 11.237 6.094 1.00 2.41 O ATOM 0 H GLU A 77 -4.171 9.787 4.587 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.918 10.064 4.192 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.312 9.535 6.275 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -5.568 11.239 6.597 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.814 9.232 6.222 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -7.144 9.670 7.780 1.00 1.56 H new ATOM 979 N ALA A 78 -5.273 12.902 4.281 1.00 0.61 N ATOM 980 CA ALA A 78 -5.375 14.327 4.001 1.00 0.62 C ATOM 981 C ALA A 78 -5.346 14.607 2.498 1.00 0.60 C ATOM 982 O ALA A 78 -6.259 15.228 1.955 1.00 0.65 O ATOM 983 CB ALA A 78 -4.246 15.075 4.693 1.00 0.64 C ATOM 0 H ALA A 78 -4.320 12.570 4.431 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.332 14.677 4.387 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.330 16.140 4.478 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.310 14.916 5.769 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.288 14.706 4.328 1.00 0.64 H new ATOM 989 N ALA A 79 -4.299 14.130 1.838 1.00 0.65 N ATOM 990 CA ALA A 79 -4.054 14.446 0.433 1.00 0.75 C ATOM 991 C ALA A 79 -5.021 13.731 -0.507 1.00 0.86 C ATOM 992 O ALA A 79 -5.738 14.370 -1.276 1.00 0.99 O ATOM 993 CB ALA A 79 -2.621 14.087 0.066 1.00 0.83 C ATOM 0 H ALA A 79 -3.599 13.517 2.256 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.217 15.517 0.311 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.444 14.325 -0.983 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.932 14.658 0.689 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.460 13.021 0.229 1.00 0.83 H new ATOM 999 N ALA A 80 -5.047 12.409 -0.430 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.752 11.592 -1.413 1.00 1.12 C ATOM 1001 C ALA A 80 -7.266 11.687 -1.265 1.00 1.27 C ATOM 1002 O ALA A 80 -8.006 11.393 -2.203 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.301 10.143 -1.306 1.00 1.25 C ATOM 0 H ALA A 80 -4.586 11.874 0.306 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.501 11.980 -2.400 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -5.832 9.541 -2.043 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.229 10.081 -1.492 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.518 9.767 -0.306 1.00 1.25 H new ATOM 1009 N THR A 81 -7.729 12.078 -0.088 1.00 1.23 N ATOM 1010 CA THR A 81 -9.154 12.181 0.166 1.00 1.46 C ATOM 1011 C THR A 81 -9.762 13.409 -0.512 1.00 1.63 C ATOM 1012 O THR A 81 -10.939 13.402 -0.879 1.00 1.89 O ATOM 1013 CB THR A 81 -9.427 12.220 1.678 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.830 11.074 2.299 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.916 12.231 1.968 1.00 1.65 C ATOM 0 H THR A 81 -7.138 12.329 0.705 1.00 1.23 H new ATOM 0 HA THR A 81 -9.628 11.297 -0.260 1.00 1.46 H new ATOM 0 HB THR A 81 -8.993 13.135 2.080 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.350 11.353 3.107 1.00 2.33 H new ATOM 0 HG21 THR A 81 -11.077 12.259 3.046 1.00 1.65 H new ATOM 0 HG22 THR A 81 -11.369 13.111 1.511 1.00 1.65 H new ATOM 0 HG23 THR A 81 -11.374 11.332 1.556 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.965 14.452 -0.699 1.00 1.69 N ATOM 1024 CA GLY A 82 -9.484 15.645 -1.326 1.00 2.14 C ATOM 1025 C GLY A 82 -8.437 16.713 -1.541 1.00 2.00 C ATOM 1026 O GLY A 82 -7.877 17.246 -0.582 1.00 2.59 O ATOM 0 H GLY A 82 -7.982 14.492 -0.431 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.924 15.379 -2.287 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -10.286 16.051 -0.709 1.00 2.14 H new ATOM 1030 N LYS A 83 -8.169 17.013 -2.802 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.296 18.115 -3.164 1.00 2.11 C ATOM 1032 C LYS A 83 -7.654 18.606 -4.563 1.00 2.84 C ATOM 1033 O LYS A 83 -6.984 18.192 -5.536 1.00 3.20 O ATOM 1034 CB LYS A 83 -5.824 17.698 -3.123 1.00 2.31 C ATOM 1035 CG LYS A 83 -4.872 18.872 -3.300 1.00 2.78 C ATOM 1036 CD LYS A 83 -3.483 18.424 -3.720 1.00 3.44 C ATOM 1037 CE LYS A 83 -3.500 17.743 -5.080 1.00 3.93 C ATOM 1038 NZ LYS A 83 -4.229 18.545 -6.101 1.00 4.41 N ATOM 1039 OXT LYS A 83 -8.627 19.374 -4.690 1.00 3.62 O ATOM 0 H LYS A 83 -8.549 16.502 -3.599 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.438 18.917 -2.440 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.616 17.208 -2.172 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.637 16.964 -3.907 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -5.274 19.554 -4.049 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -4.806 19.428 -2.365 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -2.817 19.286 -3.753 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -3.081 17.738 -2.974 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -2.476 17.577 -5.414 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -3.968 16.763 -4.988 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -3.992 18.195 -7.051 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -5.253 18.457 -5.945 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -3.951 19.544 -6.021 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -16.114 8.417 2.343 1.00 2.24 N ATOM 1055 CA MET B 15 -15.066 7.960 1.403 1.00 1.67 C ATOM 1056 C MET B 15 -13.850 7.458 2.166 1.00 1.40 C ATOM 1057 O MET B 15 -12.907 8.211 2.424 1.00 1.55 O ATOM 1058 CB MET B 15 -14.652 9.092 0.455 1.00 1.81 C ATOM 1059 CG MET B 15 -15.744 9.515 -0.513 1.00 2.21 C ATOM 1060 SD MET B 15 -15.196 10.801 -1.649 1.00 3.03 S ATOM 1061 CE MET B 15 -16.664 11.019 -2.652 1.00 3.68 C ATOM 0 HA MET B 15 -15.478 7.142 0.812 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.350 9.956 1.047 1.00 1.81 H new ATOM 0 HB3 MET B 15 -13.778 8.775 -0.114 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.076 8.648 -1.084 1.00 2.21 H new ATOM 0 HG3 MET B 15 -16.605 9.875 0.050 1.00 2.21 H new ATOM 0 HE1 MET B 15 -16.480 11.786 -3.404 1.00 3.68 H new ATOM 0 HE2 MET B 15 -16.910 10.079 -3.145 1.00 3.68 H new ATOM 0 HE3 MET B 15 -17.496 11.325 -2.018 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.878 6.181 2.522 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.798 5.560 3.283 1.00 1.13 C ATOM 1075 C ASP B 16 -11.480 5.645 2.532 1.00 0.91 C ATOM 1076 O ASP B 16 -11.387 5.261 1.365 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.123 4.093 3.572 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.253 3.924 4.564 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -15.428 3.983 4.150 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -13.971 3.728 5.767 1.00 2.42 O ATOM 0 H ASP B 16 -14.644 5.548 2.294 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.702 6.103 4.223 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.387 3.594 2.640 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.232 3.598 3.957 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.464 6.163 3.210 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.131 6.280 2.635 1.00 0.75 C ATOM 1087 C ASN B 17 -8.533 4.903 2.412 1.00 0.62 C ATOM 1088 O ASN B 17 -7.814 4.681 1.448 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.215 7.086 3.559 1.00 0.93 C ATOM 1090 CG ASN B 17 -6.830 7.287 2.972 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -6.671 7.479 1.768 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -5.817 7.223 3.821 1.00 1.71 N ATOM 0 H ASN B 17 -10.539 6.511 4.166 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.218 6.797 1.679 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.667 8.058 3.756 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.129 6.574 4.517 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -4.861 7.335 3.484 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -5.992 7.062 4.813 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.867 3.975 3.301 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.297 2.632 3.268 1.00 0.62 C ATOM 1101 C LYS B 18 -8.586 1.931 1.943 1.00 0.54 C ATOM 1102 O LYS B 18 -7.679 1.388 1.311 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.829 1.787 4.432 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.170 2.081 5.774 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.540 3.454 6.306 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.878 3.727 7.645 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.295 2.746 8.684 1.00 1.89 N ATOM 0 H LYS B 18 -9.533 4.129 4.058 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.217 2.737 3.369 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.903 1.952 4.524 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.688 0.733 4.194 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.467 1.321 6.497 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -7.087 2.014 5.668 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.240 4.217 5.588 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -9.622 3.525 6.413 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.795 3.692 7.528 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -8.131 4.734 7.976 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.064 3.119 9.627 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -9.320 2.585 8.617 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -7.793 1.848 8.535 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.840 1.957 1.514 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.225 1.273 0.288 1.00 0.61 C ATOM 1123 C LYS B 19 -9.640 1.968 -0.939 1.00 0.53 C ATOM 1124 O LYS B 19 -9.249 1.313 -1.906 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.749 1.171 0.168 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.467 2.509 0.088 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.934 2.332 -0.271 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.094 1.784 -1.681 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.511 1.495 -2.016 1.00 1.49 N ATOM 0 H LYS B 19 -10.601 2.439 1.991 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.817 0.263 0.335 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.992 0.589 -0.721 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.132 0.618 1.026 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.385 3.025 1.044 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.982 3.140 -0.657 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.406 1.655 0.441 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.449 3.289 -0.190 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.694 2.503 -2.395 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.506 0.872 -1.783 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.552 0.898 -2.867 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.961 0.997 -1.222 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.014 2.387 -2.195 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.564 3.293 -0.893 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.015 4.058 -2.002 1.00 0.59 C ATOM 1145 C ARG B 20 -7.505 3.875 -2.077 1.00 0.55 C ATOM 1146 O ARG B 20 -6.918 3.857 -3.160 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.373 5.538 -1.865 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.849 5.828 -2.090 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.171 7.298 -1.863 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.108 7.671 -0.448 1.00 1.31 N ATOM 1151 CZ ARG B 20 -10.259 8.568 0.056 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -9.322 9.110 -0.712 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -10.338 8.913 1.337 1.00 2.34 N ATOM 0 H ARG B 20 -9.875 3.857 -0.102 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.453 3.686 -2.928 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.091 5.881 -0.870 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.785 6.114 -2.579 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.125 5.547 -3.106 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.448 5.215 -1.416 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.471 7.912 -2.429 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.168 7.513 -2.249 1.00 1.01 H new ATOM 0 HE ARG B 20 -11.756 7.215 0.194 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -9.248 8.841 -1.693 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -8.676 9.795 -0.321 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -11.048 8.492 1.936 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -9.688 9.599 1.721 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.897 3.733 -0.912 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.474 3.466 -0.795 1.00 0.58 C ATOM 1169 C LEU B 21 -5.107 2.163 -1.504 1.00 0.57 C ATOM 1170 O LEU B 21 -4.170 2.120 -2.302 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.106 3.417 0.699 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.686 2.965 1.052 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.680 3.585 0.108 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.354 3.352 2.486 1.00 0.61 C ATOM 0 H LEU B 21 -7.379 3.800 -0.016 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.906 4.261 -1.278 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.259 4.412 1.118 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.808 2.749 1.199 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.636 1.881 0.953 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.677 3.252 0.375 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.904 3.279 -0.914 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.733 4.671 0.182 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.342 3.026 2.726 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.422 4.434 2.596 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.060 2.874 3.165 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.877 1.120 -1.237 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.583 -0.206 -1.758 1.00 0.63 C ATOM 1188 C ALA B 22 -5.579 -0.253 -3.284 1.00 0.51 C ATOM 1189 O ALA B 22 -4.548 -0.539 -3.894 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.580 -1.209 -1.214 1.00 0.83 C ATOM 0 H ALA B 22 -6.716 1.167 -0.659 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.577 -0.463 -1.427 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.353 -2.199 -1.609 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.519 -1.230 -0.126 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.587 -0.921 -1.515 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.724 0.039 -3.900 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.892 -0.168 -5.340 1.00 0.75 C ATOM 1198 C TYR B 23 -5.897 0.669 -6.138 1.00 0.66 C ATOM 1199 O TYR B 23 -5.368 0.222 -7.157 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.333 0.151 -5.777 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.598 1.611 -6.088 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.347 2.131 -7.354 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -9.088 2.470 -5.116 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.577 3.461 -7.638 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.318 3.803 -5.394 1.00 2.48 C ATOM 1206 CZ TYR B 23 -9.060 4.292 -6.653 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.277 5.624 -6.920 1.00 2.99 O ATOM 0 H TYR B 23 -7.545 0.418 -3.429 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.694 -1.220 -5.547 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.569 -0.442 -6.661 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.015 -0.167 -4.988 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.965 1.482 -8.128 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.293 2.091 -4.126 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.379 3.848 -8.627 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.699 4.459 -4.625 1.00 2.48 H new ATOM 0 HH TYR B 23 -10.178 5.874 -6.627 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.647 1.884 -5.665 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.752 2.805 -6.354 1.00 0.87 C ATOM 1219 C ALA B 24 -3.340 2.240 -6.428 1.00 0.75 C ATOM 1220 O ALA B 24 -2.674 2.328 -7.463 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.751 4.157 -5.663 1.00 1.14 C ATOM 0 H ALA B 24 -6.052 2.255 -4.806 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.116 2.935 -7.373 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.078 4.834 -6.189 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.760 4.570 -5.670 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.415 4.039 -4.633 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.889 1.654 -5.330 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.583 1.024 -5.295 1.00 0.71 C ATOM 1229 C ILE B 25 -1.608 -0.272 -6.100 1.00 0.61 C ATOM 1230 O ILE B 25 -0.658 -0.584 -6.813 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.126 0.741 -3.847 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.065 2.039 -3.047 1.00 0.97 C ATOM 1233 CG2 ILE B 25 0.233 0.064 -3.827 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.543 1.846 -1.643 1.00 0.89 C ATOM 0 H ILE B 25 -3.409 1.603 -4.454 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.866 1.714 -5.740 1.00 0.71 H new ATOM 0 HB ILE B 25 -1.855 0.071 -3.391 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.428 2.752 -3.570 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.062 2.477 -3.000 1.00 0.97 H new ATOM 0 HG21 ILE B 25 0.531 -0.124 -2.795 1.00 0.91 H new ATOM 0 HG22 ILE B 25 0.176 -0.882 -4.366 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.969 0.711 -4.305 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.524 2.806 -1.127 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.194 1.157 -1.104 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.466 1.436 -1.683 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.718 -1.000 -6.003 1.00 0.53 N ATOM 1247 CA ILE B 26 -2.900 -2.243 -6.750 1.00 0.53 C ATOM 1248 C ILE B 26 -2.658 -2.037 -8.245 1.00 0.51 C ATOM 1249 O ILE B 26 -1.907 -2.789 -8.865 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.314 -2.833 -6.543 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.446 -3.438 -5.139 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.621 -3.872 -7.613 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -5.822 -3.998 -4.837 1.00 0.78 C ATOM 0 H ILE B 26 -3.510 -0.749 -5.411 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.164 -2.947 -6.362 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.042 -2.026 -6.634 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -3.709 -4.233 -5.026 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.206 -2.673 -4.401 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.620 -4.276 -7.451 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.573 -3.406 -8.597 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -3.890 -4.678 -7.557 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -5.835 -4.407 -3.827 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -6.564 -3.203 -4.916 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.058 -4.787 -5.551 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.288 -1.015 -8.815 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.162 -0.743 -10.242 1.00 0.62 C ATOM 1267 C GLN B 27 -1.712 -0.477 -10.626 1.00 0.55 C ATOM 1268 O GLN B 27 -1.213 -1.020 -11.611 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.038 0.444 -10.640 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.525 0.173 -10.484 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.019 -0.969 -11.360 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.945 -1.690 -10.990 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -5.430 -1.126 -12.536 1.00 1.34 N ATOM 0 H GLN B 27 -3.890 -0.363 -8.312 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.500 -1.628 -10.781 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.767 1.307 -10.031 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.831 0.708 -11.677 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.738 -0.059 -9.441 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.081 1.078 -10.729 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -4.665 -0.509 -12.810 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -5.741 -1.864 -13.168 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.036 0.339 -9.831 1.00 0.52 N ATOM 1283 CA PHE B 28 0.361 0.671 -10.087 1.00 0.51 C ATOM 1284 C PHE B 28 1.250 -0.561 -9.909 1.00 0.43 C ATOM 1285 O PHE B 28 2.207 -0.770 -10.657 1.00 0.42 O ATOM 1286 CB PHE B 28 0.803 1.796 -9.148 1.00 0.60 C ATOM 1287 CG PHE B 28 2.229 2.226 -9.341 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.599 2.976 -10.445 1.00 1.62 C ATOM 1289 CD2 PHE B 28 3.198 1.880 -8.414 1.00 1.60 C ATOM 1290 CE1 PHE B 28 3.910 3.373 -10.622 1.00 1.96 C ATOM 1291 CE2 PHE B 28 4.508 2.273 -8.585 1.00 1.98 C ATOM 1292 CZ PHE B 28 4.866 3.021 -9.690 1.00 1.83 C ATOM 0 H PHE B 28 -1.431 0.784 -9.003 1.00 0.52 H new ATOM 0 HA PHE B 28 0.461 1.010 -11.118 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.151 2.657 -9.297 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.669 1.469 -8.117 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.854 3.254 -11.176 1.00 1.62 H new ATOM 0 HD2 PHE B 28 2.924 1.296 -7.548 1.00 1.60 H new ATOM 0 HE1 PHE B 28 4.187 3.957 -11.487 1.00 1.96 H new ATOM 0 HE2 PHE B 28 5.255 1.996 -7.855 1.00 1.98 H new ATOM 0 HZ PHE B 28 5.892 3.330 -9.825 1.00 1.83 H new ATOM 1302 N LEU B 29 0.920 -1.378 -8.919 1.00 0.45 N ATOM 1303 CA LEU B 29 1.656 -2.608 -8.659 1.00 0.45 C ATOM 1304 C LEU B 29 1.391 -3.639 -9.748 1.00 0.45 C ATOM 1305 O LEU B 29 2.236 -4.486 -10.026 1.00 0.48 O ATOM 1306 CB LEU B 29 1.294 -3.173 -7.282 1.00 0.53 C ATOM 1307 CG LEU B 29 2.180 -2.708 -6.119 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.330 -1.192 -6.103 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.607 -3.200 -4.798 1.00 0.70 C ATOM 0 H LEU B 29 0.143 -1.210 -8.279 1.00 0.45 H new ATOM 0 HA LEU B 29 2.720 -2.374 -8.665 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.262 -2.903 -7.059 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.335 -4.261 -7.334 1.00 0.53 H new ATOM 0 HG LEU B 29 3.173 -3.136 -6.259 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.964 -0.898 -5.266 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.785 -0.862 -7.037 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.349 -0.730 -5.995 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.243 -2.865 -3.978 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.602 -2.799 -4.665 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.565 -4.289 -4.803 1.00 0.70 H new ATOM 1321 N HIS B 30 0.214 -3.558 -10.358 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.129 -4.411 -11.489 1.00 0.53 C ATOM 1323 C HIS B 30 0.829 -4.157 -12.648 1.00 0.48 C ATOM 1324 O HIS B 30 1.341 -5.096 -13.260 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.578 -4.154 -11.929 1.00 0.67 C ATOM 1326 CG HIS B 30 -1.957 -4.838 -13.207 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.056 -4.172 -14.409 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.256 -6.130 -13.469 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.400 -5.024 -15.354 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.528 -6.218 -14.811 1.00 1.41 N ATOM 0 H HIS B 30 -0.522 -2.906 -10.086 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.038 -5.453 -11.182 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.251 -4.485 -11.138 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.727 -3.080 -12.045 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.277 -6.941 -12.756 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.551 -4.784 -16.396 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -2.787 -7.070 -15.308 1.00 1.41 H new ATOM 1339 N ASP B 31 1.069 -2.883 -12.937 1.00 0.48 N ATOM 1340 CA ASP B 31 2.011 -2.505 -13.982 1.00 0.52 C ATOM 1341 C ASP B 31 3.408 -2.995 -13.631 1.00 0.45 C ATOM 1342 O ASP B 31 4.057 -3.658 -14.436 1.00 0.50 O ATOM 1343 CB ASP B 31 2.016 -0.988 -14.194 1.00 0.63 C ATOM 1344 CG ASP B 31 0.783 -0.497 -14.925 1.00 1.24 C ATOM 1345 OD1 ASP B 31 0.790 -0.473 -16.174 1.00 1.79 O ATOM 1346 OD2 ASP B 31 -0.202 -0.131 -14.259 1.00 1.98 O ATOM 0 H ASP B 31 0.625 -2.096 -12.463 1.00 0.48 H new ATOM 0 HA ASP B 31 1.695 -2.975 -14.913 1.00 0.52 H new ATOM 0 HB2 ASP B 31 2.083 -0.490 -13.227 1.00 0.63 H new ATOM 0 HB3 ASP B 31 2.905 -0.707 -14.759 1.00 0.63 H new ATOM 1351 N GLN B 32 3.849 -2.690 -12.414 1.00 0.42 N ATOM 1352 CA GLN B 32 5.145 -3.153 -11.914 1.00 0.44 C ATOM 1353 C GLN B 32 5.291 -4.662 -12.057 1.00 0.38 C ATOM 1354 O GLN B 32 6.353 -5.162 -12.429 1.00 0.43 O ATOM 1355 CB GLN B 32 5.307 -2.775 -10.442 1.00 0.52 C ATOM 1356 CG GLN B 32 5.750 -1.339 -10.219 1.00 0.57 C ATOM 1357 CD GLN B 32 5.868 -0.961 -8.750 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.722 -0.154 -8.379 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.999 -1.502 -7.903 1.00 1.31 N ATOM 0 H GLN B 32 3.325 -2.120 -11.750 1.00 0.42 H new ATOM 0 HA GLN B 32 5.918 -2.669 -12.511 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.359 -2.936 -9.930 1.00 0.52 H new ATOM 0 HB3 GLN B 32 6.035 -3.445 -9.983 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.714 -1.185 -10.704 1.00 0.57 H new ATOM 0 HG3 GLN B 32 5.039 -0.669 -10.702 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.304 -2.167 -8.241 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.027 -1.252 -6.915 1.00 1.31 H new ATOM 1368 N LEU B 33 4.214 -5.375 -11.762 1.00 0.37 N ATOM 1369 CA LEU B 33 4.210 -6.830 -11.784 1.00 0.42 C ATOM 1370 C LEU B 33 4.538 -7.355 -13.178 1.00 0.46 C ATOM 1371 O LEU B 33 5.435 -8.178 -13.347 1.00 0.53 O ATOM 1372 CB LEU B 33 2.835 -7.346 -11.330 1.00 0.53 C ATOM 1373 CG LEU B 33 2.797 -8.757 -10.725 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.095 -9.827 -11.766 1.00 1.22 C ATOM 1375 CD2 LEU B 33 3.773 -8.857 -9.568 1.00 0.83 C ATOM 0 H LEU B 33 3.319 -4.961 -11.501 1.00 0.37 H new ATOM 0 HA LEU B 33 4.977 -7.193 -11.100 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.435 -6.649 -10.594 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.163 -7.325 -12.188 1.00 0.53 H new ATOM 0 HG LEU B 33 1.786 -8.932 -10.356 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.058 -10.811 -11.298 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.353 -9.777 -12.562 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.088 -9.661 -12.184 1.00 1.22 H new ATOM 0 HD21 LEU B 33 3.737 -9.862 -9.147 1.00 0.83 H new ATOM 0 HD22 LEU B 33 4.782 -8.649 -9.924 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.502 -8.132 -8.800 1.00 0.83 H new ATOM 1387 N ARG B 34 3.822 -6.861 -14.175 1.00 0.47 N ATOM 1388 CA ARG B 34 3.921 -7.414 -15.520 1.00 0.59 C ATOM 1389 C ARG B 34 4.973 -6.699 -16.366 1.00 0.58 C ATOM 1390 O ARG B 34 5.371 -7.201 -17.418 1.00 0.69 O ATOM 1391 CB ARG B 34 2.552 -7.365 -16.200 1.00 0.70 C ATOM 1392 CG ARG B 34 1.502 -8.206 -15.489 1.00 1.41 C ATOM 1393 CD ARG B 34 1.832 -9.688 -15.567 1.00 1.46 C ATOM 1394 NE ARG B 34 1.040 -10.484 -14.629 1.00 2.18 N ATOM 1395 CZ ARG B 34 0.896 -11.805 -14.717 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.407 -12.464 -15.750 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.238 -12.467 -13.774 1.00 3.50 N ATOM 0 H ARG B 34 3.169 -6.083 -14.082 1.00 0.47 H new ATOM 0 HA ARG B 34 4.245 -8.451 -15.431 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.212 -6.330 -16.244 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.651 -7.712 -17.229 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.436 -7.901 -14.445 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.525 -8.025 -15.937 1.00 1.41 H new ATOM 0 HD2 ARG B 34 1.655 -10.044 -16.582 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.892 -9.833 -15.358 1.00 1.46 H new ATOM 0 HE ARG B 34 0.571 -9.999 -13.864 1.00 2.18 H new ATOM 0 HH11 ARG B 34 1.911 -11.959 -16.478 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.295 -13.476 -15.815 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.159 -11.964 -12.980 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.129 -13.479 -13.843 1.00 3.50 H new ATOM 1411 N HIS B 35 5.431 -5.538 -15.913 1.00 0.53 N ATOM 1412 CA HIS B 35 6.470 -4.804 -16.635 1.00 0.59 C ATOM 1413 C HIS B 35 7.856 -5.149 -16.103 1.00 0.58 C ATOM 1414 O HIS B 35 8.868 -4.736 -16.668 1.00 0.74 O ATOM 1415 CB HIS B 35 6.253 -3.289 -16.554 1.00 0.59 C ATOM 1416 CG HIS B 35 5.032 -2.806 -17.276 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.349 -1.666 -16.917 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.378 -3.311 -18.349 1.00 1.62 C ATOM 1419 CE1 HIS B 35 3.329 -1.490 -17.734 1.00 2.69 C ATOM 1420 NE2 HIS B 35 3.324 -2.473 -18.613 1.00 2.43 N ATOM 0 H HIS B 35 5.105 -5.086 -15.059 1.00 0.53 H new ATOM 0 HA HIS B 35 6.403 -5.108 -17.680 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.181 -2.999 -15.506 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.128 -2.785 -16.965 1.00 0.59 H new ATOM 0 HD2 HIS B 35 4.638 -4.206 -18.895 1.00 1.62 H new ATOM 0 HE1 HIS B 35 2.618 -0.678 -17.691 1.00 2.69 H new ATOM 0 HE2 HIS B 35 2.647 -2.591 -19.367 1.00 2.43 H new ATOM 1429 N GLY B 36 7.894 -5.905 -15.013 1.00 0.49 N ATOM 1430 CA GLY B 36 9.159 -6.332 -14.450 1.00 0.51 C ATOM 1431 C GLY B 36 9.823 -5.253 -13.619 1.00 0.47 C ATOM 1432 O GLY B 36 11.032 -5.041 -13.720 1.00 0.53 O ATOM 0 H GLY B 36 7.069 -6.230 -14.508 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.997 -7.214 -13.830 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.830 -6.628 -15.257 1.00 0.51 H new ATOM 1436 N GLY B 37 9.031 -4.560 -12.809 1.00 0.41 N ATOM 1437 CA GLY B 37 9.571 -3.531 -11.942 1.00 0.40 C ATOM 1438 C GLY B 37 10.410 -4.121 -10.830 1.00 0.39 C ATOM 1439 O GLY B 37 11.640 -4.042 -10.857 1.00 0.53 O ATOM 0 H GLY B 37 8.022 -4.693 -12.738 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.178 -2.842 -12.529 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.754 -2.951 -11.513 1.00 0.40 H new ATOM 1443 N LEU B 38 9.744 -4.716 -9.850 1.00 0.36 N ATOM 1444 CA LEU B 38 10.424 -5.427 -8.777 1.00 0.41 C ATOM 1445 C LEU B 38 11.088 -6.696 -9.317 1.00 0.49 C ATOM 1446 O LEU B 38 10.857 -7.081 -10.466 1.00 0.83 O ATOM 1447 CB LEU B 38 9.436 -5.786 -7.659 1.00 0.44 C ATOM 1448 CG LEU B 38 8.877 -4.611 -6.837 1.00 0.44 C ATOM 1449 CD1 LEU B 38 9.997 -3.795 -6.216 1.00 0.51 C ATOM 1450 CD2 LEU B 38 7.972 -3.721 -7.675 1.00 0.47 C ATOM 0 H LEU B 38 8.727 -4.720 -9.776 1.00 0.36 H new ATOM 0 HA LEU B 38 11.194 -4.774 -8.366 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.597 -6.322 -8.103 1.00 0.44 H new ATOM 0 HB3 LEU B 38 9.930 -6.477 -6.976 1.00 0.44 H new ATOM 0 HG LEU B 38 8.276 -5.038 -6.034 1.00 0.44 H new ATOM 0 HD11 LEU B 38 9.572 -2.972 -5.641 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.588 -4.431 -5.557 1.00 0.51 H new ATOM 0 HD13 LEU B 38 10.636 -3.396 -7.004 1.00 0.51 H new ATOM 0 HD21 LEU B 38 7.596 -2.903 -7.061 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.537 -3.315 -8.514 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.133 -4.307 -8.051 1.00 0.47 H new ATOM 1462 N SER B 39 11.906 -7.338 -8.496 1.00 0.47 N ATOM 1463 CA SER B 39 12.613 -8.543 -8.910 1.00 0.54 C ATOM 1464 C SER B 39 11.635 -9.716 -9.045 1.00 0.48 C ATOM 1465 O SER B 39 10.509 -9.635 -8.561 1.00 0.45 O ATOM 1466 CB SER B 39 13.718 -8.871 -7.901 1.00 0.67 C ATOM 1467 OG SER B 39 14.646 -9.807 -8.428 1.00 1.42 O ATOM 0 H SER B 39 12.097 -7.045 -7.538 1.00 0.47 H new ATOM 0 HA SER B 39 13.071 -8.370 -9.884 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.241 -7.956 -7.623 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.273 -9.272 -6.991 1.00 0.67 H new ATOM 0 HG SER B 39 15.338 -9.993 -7.760 1.00 1.42 H new ATOM 1473 N SER B 40 12.061 -10.797 -9.691 1.00 0.59 N ATOM 1474 CA SER B 40 11.170 -11.922 -9.980 1.00 0.61 C ATOM 1475 C SER B 40 10.555 -12.497 -8.703 1.00 0.53 C ATOM 1476 O SER B 40 9.332 -12.602 -8.589 1.00 0.49 O ATOM 1477 CB SER B 40 11.922 -13.019 -10.737 1.00 0.77 C ATOM 1478 OG SER B 40 11.051 -14.077 -11.100 1.00 1.63 O ATOM 0 H SER B 40 13.017 -10.920 -10.025 1.00 0.59 H new ATOM 0 HA SER B 40 10.360 -11.546 -10.604 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.381 -12.599 -11.632 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.730 -13.406 -10.116 1.00 0.77 H new ATOM 0 HG SER B 40 11.555 -14.764 -11.584 1.00 1.63 H new ATOM 1484 N ASP B 41 11.406 -12.854 -7.745 1.00 0.57 N ATOM 1485 CA ASP B 41 10.944 -13.416 -6.476 1.00 0.58 C ATOM 1486 C ASP B 41 10.010 -12.442 -5.768 1.00 0.53 C ATOM 1487 O ASP B 41 9.030 -12.841 -5.131 1.00 0.55 O ATOM 1488 CB ASP B 41 12.136 -13.748 -5.575 1.00 0.71 C ATOM 1489 CG ASP B 41 11.710 -14.313 -4.234 1.00 1.26 C ATOM 1490 OD1 ASP B 41 11.425 -15.527 -4.158 1.00 2.21 O ATOM 1491 OD2 ASP B 41 11.658 -13.547 -3.249 1.00 1.69 O ATOM 0 H ASP B 41 12.419 -12.765 -7.822 1.00 0.57 H new ATOM 0 HA ASP B 41 10.396 -14.334 -6.687 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.780 -14.467 -6.081 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.728 -12.847 -5.415 1.00 0.71 H new ATOM 1496 N ALA B 42 10.322 -11.161 -5.901 1.00 0.51 N ATOM 1497 CA ALA B 42 9.507 -10.104 -5.329 1.00 0.50 C ATOM 1498 C ALA B 42 8.153 -10.041 -6.024 1.00 0.47 C ATOM 1499 O ALA B 42 7.121 -9.994 -5.370 1.00 0.52 O ATOM 1500 CB ALA B 42 10.227 -8.775 -5.449 1.00 0.54 C ATOM 0 H ALA B 42 11.143 -10.828 -6.406 1.00 0.51 H new ATOM 0 HA ALA B 42 9.340 -10.320 -4.274 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.610 -7.987 -5.018 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.176 -8.826 -4.915 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.413 -8.556 -6.500 1.00 0.54 H new ATOM 1506 N GLN B 43 8.186 -10.051 -7.354 1.00 0.44 N ATOM 1507 CA GLN B 43 6.986 -10.046 -8.189 1.00 0.45 C ATOM 1508 C GLN B 43 5.987 -11.103 -7.747 1.00 0.45 C ATOM 1509 O GLN B 43 4.835 -10.798 -7.452 1.00 0.48 O ATOM 1510 CB GLN B 43 7.373 -10.323 -9.637 1.00 0.49 C ATOM 1511 CG GLN B 43 7.852 -9.107 -10.405 1.00 0.82 C ATOM 1512 CD GLN B 43 8.501 -9.493 -11.717 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.715 -9.663 -11.801 1.00 1.57 O ATOM 1514 NE2 GLN B 43 7.691 -9.672 -12.736 1.00 1.12 N ATOM 0 H GLN B 43 9.055 -10.063 -7.889 1.00 0.44 H new ATOM 0 HA GLN B 43 6.521 -9.065 -8.091 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.159 -11.078 -9.651 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.513 -10.748 -10.154 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.009 -8.443 -10.597 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.564 -8.550 -9.797 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.689 -9.520 -12.624 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.065 -9.963 -13.639 1.00 1.12 H new ATOM 1523 N GLU B 44 6.441 -12.344 -7.748 1.00 0.49 N ATOM 1524 CA GLU B 44 5.632 -13.480 -7.305 1.00 0.54 C ATOM 1525 C GLU B 44 4.860 -13.165 -6.019 1.00 0.51 C ATOM 1526 O GLU B 44 3.639 -13.306 -5.971 1.00 0.50 O ATOM 1527 CB GLU B 44 6.520 -14.703 -7.085 1.00 0.68 C ATOM 1528 CG GLU B 44 7.304 -15.117 -8.318 1.00 1.20 C ATOM 1529 CD GLU B 44 8.123 -16.367 -8.088 1.00 1.65 C ATOM 1530 OE1 GLU B 44 9.277 -16.256 -7.621 1.00 2.36 O ATOM 1531 OE2 GLU B 44 7.614 -17.472 -8.367 1.00 2.20 O ATOM 0 H GLU B 44 7.380 -12.599 -8.055 1.00 0.49 H new ATOM 0 HA GLU B 44 4.905 -13.689 -8.090 1.00 0.54 H new ATOM 0 HB2 GLU B 44 7.218 -14.493 -6.275 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.899 -15.539 -6.762 1.00 0.68 H new ATOM 0 HG2 GLU B 44 6.614 -15.285 -9.145 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.965 -14.303 -8.615 1.00 1.20 H new ATOM 1538 N SER B 45 5.570 -12.714 -4.991 1.00 0.54 N ATOM 1539 CA SER B 45 4.941 -12.403 -3.710 1.00 0.59 C ATOM 1540 C SER B 45 4.140 -11.102 -3.805 1.00 0.55 C ATOM 1541 O SER B 45 3.148 -10.912 -3.100 1.00 0.58 O ATOM 1542 CB SER B 45 6.007 -12.300 -2.612 1.00 0.71 C ATOM 1543 OG SER B 45 5.419 -12.243 -1.323 1.00 1.04 O ATOM 0 H SER B 45 6.577 -12.556 -5.018 1.00 0.54 H new ATOM 0 HA SER B 45 4.252 -13.208 -3.455 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.676 -13.159 -2.671 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.615 -11.410 -2.776 1.00 0.71 H new ATOM 0 HG SER B 45 6.123 -12.179 -0.645 1.00 1.04 H new ATOM 1549 N LEU B 46 4.572 -10.222 -4.698 1.00 0.56 N ATOM 1550 CA LEU B 46 3.930 -8.936 -4.910 1.00 0.60 C ATOM 1551 C LEU B 46 2.516 -9.116 -5.451 1.00 0.50 C ATOM 1552 O LEU B 46 1.581 -8.462 -4.992 1.00 0.48 O ATOM 1553 CB LEU B 46 4.773 -8.100 -5.881 1.00 0.74 C ATOM 1554 CG LEU B 46 4.177 -6.760 -6.292 1.00 0.75 C ATOM 1555 CD1 LEU B 46 3.957 -5.873 -5.078 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.075 -6.067 -7.305 1.00 1.14 C ATOM 0 H LEU B 46 5.381 -10.383 -5.297 1.00 0.56 H new ATOM 0 HA LEU B 46 3.857 -8.416 -3.955 1.00 0.60 H new ATOM 0 HB2 LEU B 46 5.746 -7.919 -5.424 1.00 0.74 H new ATOM 0 HB3 LEU B 46 4.948 -8.690 -6.781 1.00 0.74 H new ATOM 0 HG LEU B 46 3.209 -6.945 -6.758 1.00 0.75 H new ATOM 0 HD11 LEU B 46 3.531 -4.921 -5.395 1.00 1.28 H new ATOM 0 HD12 LEU B 46 3.272 -6.365 -4.387 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.910 -5.696 -4.580 1.00 1.28 H new ATOM 0 HD21 LEU B 46 4.634 -5.111 -7.588 1.00 1.14 H new ATOM 0 HD22 LEU B 46 6.057 -5.897 -6.864 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.178 -6.695 -8.190 1.00 1.14 H new ATOM 1568 N GLU B 47 2.362 -10.011 -6.420 1.00 0.49 N ATOM 1569 CA GLU B 47 1.053 -10.281 -6.996 1.00 0.48 C ATOM 1570 C GLU B 47 0.149 -10.937 -5.959 1.00 0.43 C ATOM 1571 O GLU B 47 -1.048 -10.667 -5.905 1.00 0.45 O ATOM 1572 CB GLU B 47 1.176 -11.161 -8.241 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.143 -11.364 -8.969 1.00 0.81 C ATOM 1574 CD GLU B 47 0.017 -12.093 -10.285 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.502 -13.243 -10.276 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.365 -11.530 -11.334 1.00 1.75 O ATOM 0 H GLU B 47 3.124 -10.559 -6.821 1.00 0.49 H new ATOM 0 HA GLU B 47 0.606 -9.334 -7.299 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.895 -10.711 -8.926 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.576 -12.133 -7.952 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.823 -11.926 -8.329 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.605 -10.394 -9.151 1.00 0.81 H new ATOM 1583 N VAL B 48 0.734 -11.786 -5.121 1.00 0.41 N ATOM 1584 CA VAL B 48 0.000 -12.386 -4.016 1.00 0.42 C ATOM 1585 C VAL B 48 -0.512 -11.292 -3.083 1.00 0.41 C ATOM 1586 O VAL B 48 -1.669 -11.308 -2.662 1.00 0.43 O ATOM 1587 CB VAL B 48 0.875 -13.376 -3.214 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.100 -13.962 -2.045 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.389 -14.488 -4.112 1.00 0.48 C ATOM 0 H VAL B 48 1.711 -12.073 -5.186 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.837 -12.942 -4.439 1.00 0.42 H new ATOM 0 HB VAL B 48 1.728 -12.824 -2.819 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.738 -14.655 -1.497 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.218 -13.159 -1.380 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.776 -14.493 -2.419 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.003 -15.173 -3.527 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.545 -15.030 -4.539 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.989 -14.059 -4.915 1.00 0.48 H new ATOM 1599 N ALA B 49 0.360 -10.331 -2.789 1.00 0.41 N ATOM 1600 CA ALA B 49 0.009 -9.194 -1.946 1.00 0.43 C ATOM 1601 C ALA B 49 -1.160 -8.414 -2.531 1.00 0.43 C ATOM 1602 O ALA B 49 -2.040 -7.972 -1.800 1.00 0.48 O ATOM 1603 CB ALA B 49 1.207 -8.276 -1.766 1.00 0.44 C ATOM 0 H ALA B 49 1.323 -10.319 -3.126 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.292 -9.582 -0.973 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.928 -7.433 -1.134 1.00 0.44 H new ATOM 0 HB2 ALA B 49 2.021 -8.828 -1.296 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.533 -7.908 -2.739 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.161 -8.258 -3.852 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.227 -7.542 -4.549 1.00 0.41 C ATOM 1611 C ILE B 50 -3.599 -8.129 -4.217 1.00 0.38 C ATOM 1612 O ILE B 50 -4.481 -7.426 -3.722 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.009 -7.565 -6.080 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -0.758 -6.760 -6.450 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.233 -7.024 -6.807 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.446 -6.757 -7.933 1.00 0.62 C ATOM 0 H ILE B 50 -0.431 -8.620 -4.465 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.196 -6.508 -4.205 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.861 -8.598 -6.393 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -0.887 -5.731 -6.114 1.00 0.53 H new ATOM 0 HG13 ILE B 50 0.097 -7.167 -5.910 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.058 -7.049 -7.883 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.100 -7.638 -6.566 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.418 -5.997 -6.493 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.452 -6.167 -8.115 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.283 -7.780 -8.273 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.283 -6.322 -8.480 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.766 -9.421 -4.478 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.029 -10.099 -4.207 1.00 0.43 C ATOM 1630 C GLN B 51 -5.356 -10.109 -2.715 1.00 0.43 C ATOM 1631 O GLN B 51 -6.526 -10.072 -2.331 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.003 -11.527 -4.751 1.00 0.51 C ATOM 1633 CG GLN B 51 -5.576 -11.657 -6.154 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.782 -10.907 -7.204 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -3.567 -10.763 -7.098 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.465 -10.420 -8.223 1.00 1.35 N ATOM 0 H GLN B 51 -3.043 -10.020 -4.877 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.814 -9.540 -4.717 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.974 -11.887 -4.753 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.565 -12.173 -4.077 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.616 -12.712 -6.425 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -6.602 -11.289 -6.154 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.474 -10.561 -8.275 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -4.984 -9.903 -8.959 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.328 -10.153 -1.879 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.527 -10.129 -0.437 1.00 0.52 C ATOM 1647 C CYS B 52 -5.038 -8.761 0.014 1.00 0.53 C ATOM 1648 O CYS B 52 -5.980 -8.678 0.799 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.234 -10.488 0.295 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.636 -12.160 -0.046 1.00 0.69 S ATOM 0 H CYS B 52 -3.353 -10.205 -2.173 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.280 -10.876 -0.186 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.460 -9.773 0.017 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.395 -10.382 1.368 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.073 -12.189 -1.217 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.431 -7.693 -0.502 1.00 0.49 N ATOM 1657 CA LEU B 53 -4.884 -6.333 -0.207 1.00 0.53 C ATOM 1658 C LEU B 53 -6.307 -6.138 -0.714 1.00 0.50 C ATOM 1659 O LEU B 53 -7.135 -5.505 -0.057 1.00 0.57 O ATOM 1660 CB LEU B 53 -3.963 -5.297 -0.862 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.518 -5.281 -0.359 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.685 -4.316 -1.188 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.465 -4.893 1.111 1.00 0.61 C ATOM 0 H LEU B 53 -3.625 -7.742 -1.126 1.00 0.49 H new ATOM 0 HA LEU B 53 -4.857 -6.192 0.874 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -3.952 -5.476 -1.937 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.393 -4.307 -0.708 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.105 -6.284 -0.464 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.659 -4.313 -0.821 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.696 -4.630 -2.232 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.102 -3.312 -1.106 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.429 -4.888 1.449 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -2.894 -3.899 1.241 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.034 -5.614 1.698 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.568 -6.699 -1.889 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.887 -6.671 -2.501 1.00 0.50 C ATOM 1677 C GLU B 54 -8.947 -7.181 -1.527 1.00 0.56 C ATOM 1678 O GLU B 54 -9.904 -6.474 -1.208 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.866 -7.516 -3.782 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.225 -7.722 -4.434 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.710 -9.155 -4.331 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -10.348 -9.507 -3.316 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.445 -9.945 -5.263 1.00 1.66 O ATOM 0 H GLU B 54 -5.866 -7.188 -2.445 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.145 -5.643 -2.756 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.201 -7.040 -4.503 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.439 -8.491 -3.550 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -9.953 -7.061 -3.964 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.167 -7.437 -5.484 1.00 0.73 H new ATOM 1690 N THR B 55 -8.751 -8.390 -1.028 1.00 0.61 N ATOM 1691 CA THR B 55 -9.711 -9.013 -0.133 1.00 0.77 C ATOM 1692 C THR B 55 -9.692 -8.353 1.251 1.00 0.83 C ATOM 1693 O THR B 55 -10.734 -8.209 1.895 1.00 0.98 O ATOM 1694 CB THR B 55 -9.423 -10.520 -0.008 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.294 -11.085 -1.322 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.536 -11.235 0.746 1.00 1.15 C ATOM 0 H THR B 55 -7.931 -8.962 -1.229 1.00 0.61 H new ATOM 0 HA THR B 55 -10.705 -8.875 -0.558 1.00 0.77 H new ATOM 0 HB THR B 55 -8.497 -10.650 0.552 1.00 0.95 H new ATOM 0 HG1 THR B 55 -9.772 -10.524 -1.968 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.303 -12.297 0.817 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.625 -10.815 1.748 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.478 -11.105 0.213 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.508 -7.932 1.687 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.347 -7.291 2.988 1.00 0.87 C ATOM 1706 C ALA B 56 -9.167 -6.010 3.089 1.00 0.88 C ATOM 1707 O ALA B 56 -9.945 -5.828 4.025 1.00 1.14 O ATOM 1708 CB ALA B 56 -6.882 -6.985 3.246 1.00 0.89 C ATOM 0 H ALA B 56 -7.642 -8.024 1.155 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.712 -7.986 3.744 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.776 -6.507 4.220 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.309 -7.912 3.233 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.508 -6.316 2.471 1.00 0.89 H new ATOM 1714 N PHE B 57 -8.995 -5.124 2.121 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.692 -3.854 2.130 1.00 1.05 C ATOM 1716 C PHE B 57 -11.104 -3.990 1.573 1.00 1.57 C ATOM 1717 O PHE B 57 -11.916 -3.068 1.669 1.00 2.06 O ATOM 1718 CB PHE B 57 -8.907 -2.829 1.321 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.638 -2.371 1.983 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.672 -1.382 2.947 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -6.413 -2.912 1.627 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -6.510 -0.934 3.545 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.248 -2.471 2.224 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.296 -1.479 3.182 1.00 0.92 C ATOM 0 H PHE B 57 -8.378 -5.264 1.321 1.00 0.76 H new ATOM 0 HA PHE B 57 -9.772 -3.518 3.164 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.663 -3.258 0.349 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.542 -1.962 1.137 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -8.620 -0.953 3.237 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -6.369 -3.686 0.875 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -6.552 -0.158 4.295 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -4.299 -2.903 1.941 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.385 -1.130 3.646 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.390 -5.150 0.993 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.699 -5.394 0.421 1.00 2.29 C ATOM 1736 C GLY B 58 -12.903 -4.629 -0.868 1.00 2.05 C ATOM 1737 O GLY B 58 -14.030 -4.280 -1.224 1.00 2.60 O ATOM 0 H GLY B 58 -10.735 -5.928 0.909 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.820 -6.461 0.233 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.468 -5.108 1.139 1.00 2.29 H new ATOM 1741 N VAL B 59 -11.809 -4.366 -1.566 1.00 1.35 N ATOM 1742 CA VAL B 59 -11.857 -3.598 -2.798 1.00 1.13 C ATOM 1743 C VAL B 59 -11.797 -4.516 -4.003 1.00 1.04 C ATOM 1744 O VAL B 59 -11.330 -5.647 -3.907 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.710 -2.568 -2.882 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -10.836 -1.547 -1.770 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.352 -3.248 -2.823 1.00 1.00 C ATOM 0 H VAL B 59 -10.875 -4.675 -1.298 1.00 1.35 H new ATOM 0 HA VAL B 59 -12.803 -3.056 -2.797 1.00 1.13 H new ATOM 0 HB VAL B 59 -10.788 -2.057 -3.842 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.020 -0.828 -1.842 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.789 -1.026 -1.861 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -10.790 -2.052 -0.805 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.565 -2.496 -2.884 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.259 -3.794 -1.884 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.256 -3.942 -3.658 1.00 1.00 H new ATOM 1757 N THR B 60 -12.294 -4.032 -5.122 1.00 1.17 N ATOM 1758 CA THR B 60 -12.279 -4.787 -6.356 1.00 1.30 C ATOM 1759 C THR B 60 -11.904 -3.889 -7.525 1.00 1.16 C ATOM 1760 O THR B 60 -11.580 -2.714 -7.332 1.00 1.14 O ATOM 1761 CB THR B 60 -13.657 -5.418 -6.633 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.678 -4.417 -6.507 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.943 -6.567 -5.677 1.00 2.38 C ATOM 0 H THR B 60 -12.718 -3.108 -5.201 1.00 1.17 H new ATOM 0 HA THR B 60 -11.537 -5.579 -6.249 1.00 1.30 H new ATOM 0 HB THR B 60 -13.652 -5.817 -7.648 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.316 -3.639 -6.034 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.923 -6.990 -5.899 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.180 -7.337 -5.795 1.00 2.38 H new ATOM 0 HG23 THR B 60 -13.931 -6.198 -4.651 1.00 2.38 H new ATOM 1771 N VAL B 61 -11.963 -4.430 -8.732 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.729 -3.640 -9.932 1.00 1.59 C ATOM 1773 C VAL B 61 -12.816 -2.564 -10.086 1.00 1.83 C ATOM 1774 O VAL B 61 -12.600 -1.531 -10.722 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.667 -4.546 -11.186 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -12.981 -5.281 -11.395 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.286 -3.747 -12.425 1.00 1.95 C ATOM 0 H VAL B 61 -12.171 -5.413 -8.907 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.765 -3.142 -9.832 1.00 1.59 H new ATOM 0 HB VAL B 61 -10.889 -5.291 -11.018 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -12.909 -5.910 -12.282 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.192 -5.903 -10.525 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.786 -4.558 -11.527 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.251 -4.410 -13.289 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.027 -2.967 -12.597 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.307 -3.291 -12.277 1.00 1.95 H new ATOM 1787 N GLU B 62 -13.971 -2.793 -9.461 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.049 -1.807 -9.450 1.00 2.15 C ATOM 1789 C GLU B 62 -14.595 -0.554 -8.704 1.00 1.63 C ATOM 1790 O GLU B 62 -14.868 0.584 -9.110 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.292 -2.386 -8.770 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.777 -3.696 -9.376 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.097 -3.580 -10.851 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.109 -2.934 -11.197 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -16.347 -4.146 -11.672 1.00 4.00 O ATOM 0 H GLU B 62 -14.183 -3.653 -8.956 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.297 -1.548 -10.479 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.075 -2.545 -7.714 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.097 -1.653 -8.823 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.013 -4.461 -9.234 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.666 -4.030 -8.842 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.871 -0.778 -7.617 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.341 0.305 -6.804 1.00 1.61 C ATOM 1804 C ASP B 63 -12.200 0.996 -7.534 1.00 1.59 C ATOM 1805 O ASP B 63 -11.736 2.056 -7.133 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.861 -0.232 -5.457 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.973 -0.900 -4.677 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.721 -0.194 -3.971 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -14.110 -2.137 -4.768 1.00 3.35 O ATOM 0 H ASP B 63 -13.636 -1.710 -7.276 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.134 1.032 -6.626 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.054 -0.946 -5.620 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.448 0.587 -4.868 1.00 1.89 H new ATOM 1814 N SER B 64 -11.753 0.378 -8.613 1.00 1.56 N ATOM 1815 CA SER B 64 -10.741 0.964 -9.467 1.00 1.82 C ATOM 1816 C SER B 64 -11.407 1.845 -10.526 1.00 1.73 C ATOM 1817 O SER B 64 -10.766 2.713 -11.122 1.00 1.91 O ATOM 1818 CB SER B 64 -9.905 -0.143 -10.116 1.00 2.42 C ATOM 1819 OG SER B 64 -8.834 0.385 -10.876 1.00 2.92 O ATOM 0 H SER B 64 -12.080 -0.538 -8.919 1.00 1.56 H new ATOM 0 HA SER B 64 -10.075 1.589 -8.871 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.511 -0.802 -9.342 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.542 -0.750 -10.759 1.00 2.42 H new ATOM 0 HG SER B 64 -8.639 -0.214 -11.627 1.00 2.92 H new ATOM 1825 N ASP B 65 -12.702 1.626 -10.745 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.468 2.443 -11.685 1.00 2.03 C ATOM 1827 C ASP B 65 -13.700 3.830 -11.111 1.00 1.91 C ATOM 1828 O ASP B 65 -13.707 4.822 -11.841 1.00 2.28 O ATOM 1829 CB ASP B 65 -14.816 1.799 -12.023 1.00 2.26 C ATOM 1830 CG ASP B 65 -14.679 0.545 -12.858 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -14.291 0.650 -14.041 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -14.966 -0.553 -12.344 1.00 3.35 O ATOM 0 H ASP B 65 -13.242 0.892 -10.286 1.00 1.68 H new ATOM 0 HA ASP B 65 -12.884 2.519 -12.602 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.339 1.557 -11.098 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.433 2.520 -12.559 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.869 3.899 -9.793 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.028 5.186 -9.105 1.00 1.62 C ATOM 1839 C LEU B 66 -12.674 5.883 -8.918 1.00 1.45 C ATOM 1840 O LEU B 66 -12.496 6.694 -8.005 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.758 4.998 -7.759 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.150 3.981 -6.781 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.083 4.619 -5.902 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.238 3.364 -5.917 1.00 1.57 C ATOM 0 H LEU B 66 -13.900 3.085 -9.179 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.643 5.833 -9.730 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.804 5.965 -7.259 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.785 4.698 -7.968 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.674 3.198 -7.371 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.675 3.870 -5.223 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.284 5.014 -6.529 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.525 5.430 -5.324 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -14.793 2.645 -5.229 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.740 4.147 -5.349 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -15.963 2.856 -6.553 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.743 5.565 -9.816 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.369 6.057 -9.766 1.00 1.26 C ATOM 1858 C ALA B 67 -10.285 7.561 -9.534 1.00 1.28 C ATOM 1859 O ALA B 67 -10.943 8.354 -10.213 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.647 5.693 -11.050 1.00 1.48 C ATOM 0 H ALA B 67 -11.925 4.950 -10.609 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.889 5.577 -8.913 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.622 6.062 -11.008 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.638 4.609 -11.168 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.161 6.146 -11.898 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.462 7.932 -8.567 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.214 9.327 -8.239 1.00 1.29 C ATOM 1868 C LEU B 68 -8.415 10.007 -9.350 1.00 1.56 C ATOM 1869 O LEU B 68 -7.766 9.323 -10.147 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.462 9.414 -6.906 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.244 8.913 -5.687 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.354 8.888 -4.456 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.465 9.786 -5.440 1.00 1.18 C ATOM 0 H LEU B 68 -8.945 7.272 -7.985 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.168 9.845 -8.145 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.540 8.839 -6.988 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.177 10.452 -6.734 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.581 7.897 -5.891 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.926 8.530 -3.600 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.509 8.223 -4.632 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.987 9.894 -4.252 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.008 9.415 -4.571 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.147 10.813 -5.258 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.116 9.757 -6.314 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.466 11.353 -9.429 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.796 12.126 -10.489 1.00 2.36 C ATOM 1887 C PRO B 69 -6.364 11.670 -10.760 1.00 2.25 C ATOM 1888 O PRO B 69 -5.988 11.413 -11.906 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.794 13.543 -9.921 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.022 13.608 -9.085 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.198 12.235 -8.494 1.00 2.06 C ATOM 0 HA PRO B 69 -8.304 12.016 -11.447 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.899 13.732 -9.328 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.814 14.289 -10.715 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.921 14.359 -8.302 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.888 13.888 -9.685 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.788 12.178 -7.486 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.251 11.960 -8.426 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.582 11.544 -9.701 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.193 11.134 -9.820 1.00 1.82 C ATOM 1901 C GLN B 70 -3.971 9.835 -9.065 1.00 1.41 C ATOM 1902 O GLN B 70 -4.690 9.534 -8.108 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.270 12.225 -9.274 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.534 12.576 -7.820 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.613 13.662 -7.302 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -1.474 13.798 -7.747 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -3.097 14.437 -6.348 1.00 2.76 N ATOM 0 H GLN B 70 -5.888 11.721 -8.744 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.961 10.976 -10.873 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.235 11.899 -9.378 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.384 13.123 -9.882 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.569 12.901 -7.711 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.415 11.682 -7.208 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -4.047 14.292 -6.006 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -2.521 15.180 -5.953 1.00 2.76 H new ATOM 1916 N THR B 71 -2.989 9.061 -9.502 1.00 1.34 N ATOM 1917 CA THR B 71 -2.673 7.819 -8.835 1.00 1.13 C ATOM 1918 C THR B 71 -1.972 8.112 -7.517 1.00 0.85 C ATOM 1919 O THR B 71 -1.167 9.038 -7.408 1.00 0.83 O ATOM 1920 CB THR B 71 -1.780 6.923 -9.725 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.695 7.684 -10.274 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.588 6.304 -10.854 1.00 1.55 C ATOM 0 H THR B 71 -2.404 9.274 -10.310 1.00 1.34 H new ATOM 0 HA THR B 71 -3.602 7.283 -8.641 1.00 1.13 H new ATOM 0 HB THR B 71 -1.379 6.125 -9.100 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.138 7.103 -10.833 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.938 5.678 -11.466 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.390 5.695 -10.436 1.00 1.55 H new ATOM 0 HG23 THR B 71 -3.016 7.094 -11.471 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.266 7.285 -6.529 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.809 7.512 -5.170 1.00 0.66 C ATOM 1932 C LEU B 72 -0.307 7.264 -4.996 1.00 0.66 C ATOM 1933 O LEU B 72 0.356 8.041 -4.312 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.638 6.676 -4.192 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.902 7.372 -3.669 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.815 7.794 -4.811 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.644 6.470 -2.697 1.00 1.79 C ATOM 0 H LEU B 72 -2.826 6.441 -6.646 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.960 8.568 -4.946 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.927 5.747 -4.683 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.010 6.405 -3.343 1.00 0.78 H new ATOM 0 HG LEU B 72 -3.592 8.273 -3.140 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.701 8.284 -4.407 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -4.284 8.486 -5.465 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -5.115 6.915 -5.381 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.537 6.980 -2.337 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.932 5.548 -3.203 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -3.996 6.233 -1.853 1.00 1.79 H new ATOM 1949 N PRO B 73 0.269 6.192 -5.583 1.00 0.75 N ATOM 1950 CA PRO B 73 1.726 6.017 -5.596 1.00 0.84 C ATOM 1951 C PRO B 73 2.451 7.233 -6.179 1.00 0.80 C ATOM 1952 O PRO B 73 3.566 7.556 -5.769 1.00 0.82 O ATOM 1953 CB PRO B 73 1.930 4.787 -6.480 1.00 1.03 C ATOM 1954 CG PRO B 73 0.669 4.015 -6.326 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.420 5.042 -6.209 1.00 0.84 C ATOM 0 HA PRO B 73 2.134 5.902 -4.592 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.101 5.067 -7.519 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.795 4.206 -6.160 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.502 3.362 -7.183 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.704 3.378 -5.442 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.835 5.302 -7.183 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.247 4.685 -5.595 1.00 0.84 H new ATOM 1963 N GLU B 74 1.803 7.914 -7.122 1.00 0.78 N ATOM 1964 CA GLU B 74 2.371 9.116 -7.726 1.00 0.78 C ATOM 1965 C GLU B 74 2.283 10.290 -6.752 1.00 0.64 C ATOM 1966 O GLU B 74 3.192 11.119 -6.680 1.00 0.64 O ATOM 1967 CB GLU B 74 1.645 9.450 -9.030 1.00 0.86 C ATOM 1968 CG GLU B 74 2.224 10.649 -9.762 1.00 1.21 C ATOM 1969 CD GLU B 74 1.464 10.983 -11.027 1.00 1.47 C ATOM 1970 OE1 GLU B 74 0.379 11.593 -10.933 1.00 1.67 O ATOM 1971 OE2 GLU B 74 1.947 10.629 -12.123 1.00 2.27 O ATOM 0 H GLU B 74 0.885 7.654 -7.484 1.00 0.78 H new ATOM 0 HA GLU B 74 3.421 8.930 -7.952 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.681 8.582 -9.688 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.594 9.641 -8.812 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.215 11.514 -9.099 1.00 1.21 H new ATOM 0 HG3 GLU B 74 3.266 10.449 -10.011 1.00 1.21 H new ATOM 1978 N ILE B 75 1.180 10.351 -6.006 1.00 0.58 N ATOM 1979 CA ILE B 75 1.016 11.346 -4.951 1.00 0.53 C ATOM 1980 C ILE B 75 2.168 11.255 -3.965 1.00 0.49 C ATOM 1981 O ILE B 75 2.818 12.250 -3.649 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.302 11.145 -4.171 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.508 11.346 -5.085 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.369 12.089 -2.973 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.838 11.174 -4.379 1.00 1.37 C ATOM 0 H ILE B 75 0.386 9.720 -6.115 1.00 0.58 H new ATOM 0 HA ILE B 75 0.996 12.323 -5.434 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.325 10.120 -3.800 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.463 12.345 -5.519 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.450 10.637 -5.911 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.305 11.931 -2.437 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.469 11.890 -2.305 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.319 13.121 -3.320 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.650 11.331 -5.089 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -2.905 10.166 -3.969 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -2.917 11.901 -3.571 1.00 1.37 H new ATOM 1997 N PHE B 76 2.416 10.044 -3.493 1.00 0.50 N ATOM 1998 CA PHE B 76 3.466 9.796 -2.522 1.00 0.56 C ATOM 1999 C PHE B 76 4.839 10.152 -3.066 1.00 0.59 C ATOM 2000 O PHE B 76 5.695 10.643 -2.330 1.00 0.72 O ATOM 2001 CB PHE B 76 3.444 8.337 -2.086 1.00 0.65 C ATOM 2002 CG PHE B 76 2.598 8.038 -0.874 1.00 2.06 C ATOM 2003 CD1 PHE B 76 2.189 9.028 0.020 1.00 2.12 C ATOM 2004 CD2 PHE B 76 2.223 6.737 -0.623 1.00 2.34 C ATOM 2005 CE1 PHE B 76 1.426 8.710 1.121 1.00 2.24 C ATOM 2006 CE2 PHE B 76 1.462 6.417 0.482 1.00 2.35 C ATOM 2007 CZ PHE B 76 1.063 7.405 1.351 1.00 2.37 C ATOM 0 H PHE B 76 1.898 9.211 -3.771 1.00 0.50 H new ATOM 0 HA PHE B 76 3.273 10.438 -1.662 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.084 7.732 -2.918 1.00 0.65 H new ATOM 0 HB3 PHE B 76 4.467 8.021 -1.881 1.00 0.65 H new ATOM 0 HD1 PHE B 76 2.474 10.055 -0.154 1.00 2.12 H new ATOM 0 HD2 PHE B 76 2.530 5.955 -1.302 1.00 2.34 H new ATOM 0 HE1 PHE B 76 1.113 9.486 1.804 1.00 2.24 H new ATOM 0 HE2 PHE B 76 1.180 5.391 0.665 1.00 2.35 H new ATOM 0 HZ PHE B 76 0.464 7.155 2.214 1.00 2.37 H new ATOM 2017 N GLU B 77 5.041 9.902 -4.348 1.00 0.62 N ATOM 2018 CA GLU B 77 6.291 10.251 -5.014 1.00 0.73 C ATOM 2019 C GLU B 77 6.595 11.738 -4.809 1.00 0.69 C ATOM 2020 O GLU B 77 7.748 12.132 -4.640 1.00 0.79 O ATOM 2021 CB GLU B 77 6.188 9.917 -6.507 1.00 0.89 C ATOM 2022 CG GLU B 77 7.506 9.522 -7.162 1.00 1.56 C ATOM 2023 CD GLU B 77 8.484 10.670 -7.294 1.00 1.93 C ATOM 2024 OE1 GLU B 77 8.266 11.543 -8.160 1.00 2.51 O ATOM 2025 OE2 GLU B 77 9.482 10.695 -6.547 1.00 2.40 O ATOM 0 H GLU B 77 4.353 9.456 -4.955 1.00 0.62 H new ATOM 0 HA GLU B 77 7.108 9.673 -4.583 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.475 9.102 -6.635 1.00 0.89 H new ATOM 0 HB3 GLU B 77 5.781 10.781 -7.032 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.969 8.727 -6.578 1.00 1.56 H new ATOM 0 HG3 GLU B 77 7.302 9.113 -8.152 1.00 1.56 H new ATOM 2032 N ALA B 78 5.549 12.551 -4.792 1.00 0.60 N ATOM 2033 CA ALA B 78 5.693 13.982 -4.573 1.00 0.61 C ATOM 2034 C ALA B 78 5.681 14.327 -3.082 1.00 0.60 C ATOM 2035 O ALA B 78 6.612 14.949 -2.567 1.00 0.64 O ATOM 2036 CB ALA B 78 4.583 14.729 -5.293 1.00 0.64 C ATOM 0 H ALA B 78 4.587 12.242 -4.928 1.00 0.60 H new ATOM 0 HA ALA B 78 6.658 14.289 -4.976 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.697 15.800 -5.125 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.638 14.521 -6.362 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.616 14.402 -4.910 1.00 0.64 H new ATOM 2042 N ALA B 79 4.625 13.908 -2.397 1.00 0.64 N ATOM 2043 CA ALA B 79 4.394 14.292 -1.007 1.00 0.75 C ATOM 2044 C ALA B 79 5.341 13.592 -0.035 1.00 0.86 C ATOM 2045 O ALA B 79 6.074 14.242 0.712 1.00 0.99 O ATOM 2046 CB ALA B 79 2.953 13.990 -0.620 1.00 0.83 C ATOM 0 H ALA B 79 3.907 13.296 -2.785 1.00 0.64 H new ATOM 0 HA ALA B 79 4.590 15.362 -0.936 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.787 14.279 0.418 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.278 14.552 -1.265 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.761 12.923 -0.735 1.00 0.83 H new ATOM 2052 N ALA B 80 5.331 12.267 -0.059 1.00 0.90 N ATOM 2053 CA ALA B 80 6.016 11.472 0.954 1.00 1.11 C ATOM 2054 C ALA B 80 7.532 11.517 0.795 1.00 1.26 C ATOM 2055 O ALA B 80 8.269 11.246 1.740 1.00 1.55 O ATOM 2056 CB ALA B 80 5.523 10.033 0.911 1.00 1.25 C ATOM 0 H ALA B 80 4.854 11.716 -0.772 1.00 0.90 H new ATOM 0 HA ALA B 80 5.781 11.908 1.925 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.041 9.448 1.671 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.450 10.010 1.104 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.724 9.609 -0.073 1.00 1.25 H new ATOM 2062 N THR B 81 7.999 11.842 -0.401 1.00 1.23 N ATOM 2063 CA THR B 81 9.423 11.893 -0.665 1.00 1.46 C ATOM 2064 C THR B 81 10.070 13.131 -0.041 1.00 1.63 C ATOM 2065 O THR B 81 11.244 13.101 0.335 1.00 1.88 O ATOM 2066 CB THR B 81 9.692 11.857 -2.178 1.00 1.59 C ATOM 2067 OG1 THR B 81 9.063 10.701 -2.745 1.00 2.33 O ATOM 2068 CG2 THR B 81 11.180 11.811 -2.469 1.00 1.64 C ATOM 0 H THR B 81 7.411 12.074 -1.201 1.00 1.23 H new ATOM 0 HA THR B 81 9.873 11.014 -0.203 1.00 1.46 H new ATOM 0 HB THR B 81 9.282 12.765 -2.621 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.586 10.956 -3.562 1.00 2.33 H new ATOM 0 HG21 THR B 81 11.339 11.786 -3.547 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.660 12.696 -2.052 1.00 1.64 H new ATOM 0 HG23 THR B 81 11.612 10.917 -2.018 1.00 1.64 H new ATOM 2076 N GLY B 82 9.307 14.205 0.099 1.00 1.68 N ATOM 2077 CA GLY B 82 9.865 15.410 0.671 1.00 2.13 C ATOM 2078 C GLY B 82 8.852 16.517 0.843 1.00 1.99 C ATOM 2079 O GLY B 82 8.305 17.028 -0.135 1.00 2.59 O ATOM 0 H GLY B 82 8.325 14.263 -0.169 1.00 1.68 H new ATOM 0 HA2 GLY B 82 10.303 15.174 1.641 1.00 2.13 H new ATOM 0 HA3 GLY B 82 10.675 15.765 0.034 1.00 2.13 H new ATOM 2083 N LYS B 83 8.596 16.878 2.089 1.00 1.88 N ATOM 2084 CA LYS B 83 7.759 18.021 2.405 1.00 2.11 C ATOM 2085 C LYS B 83 8.139 18.560 3.777 1.00 2.84 C ATOM 2086 O LYS B 83 7.470 18.198 4.768 1.00 3.19 O ATOM 2087 CB LYS B 83 6.275 17.646 2.390 1.00 2.30 C ATOM 2088 CG LYS B 83 5.358 18.854 2.523 1.00 2.77 C ATOM 2089 CD LYS B 83 3.957 18.464 2.967 1.00 3.43 C ATOM 2090 CE LYS B 83 3.960 17.844 4.357 1.00 3.92 C ATOM 2091 NZ LYS B 83 4.719 18.668 5.338 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.130 19.309 3.867 1.00 3.61 O ATOM 0 H LYS B 83 8.961 16.389 2.906 1.00 1.88 H new ATOM 0 HA LYS B 83 7.920 18.786 1.645 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.047 17.123 1.461 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.073 16.951 3.205 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.784 19.554 3.242 1.00 2.77 H new ATOM 0 HG3 LYS B 83 5.303 19.374 1.566 1.00 2.77 H new ATOM 0 HD2 LYS B 83 3.315 19.345 2.963 1.00 3.43 H new ATOM 0 HD3 LYS B 83 3.533 17.757 2.254 1.00 3.43 H new ATOM 0 HE2 LYS B 83 2.933 17.725 4.702 1.00 3.92 H new ATOM 0 HE3 LYS B 83 4.397 16.847 4.307 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 4.477 18.369 6.304 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 5.739 18.541 5.182 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 4.472 19.671 5.214 1.00 4.40 H new TER 2106 LYS B 83