USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 504 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 100 SER OG : rot 168:sc= 0.975 USER MOD Set 1.2: A 102 SER OG : rot -62:sc= 1.27 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0178 (180deg=-0.239) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.133 USER MOD Single : A 105 THR OG1 : rot -39:sc= 1.08 USER MOD Single : A 108 ASN : amide:sc= -3.07! K(o=-3.1!,f=-0.54) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 33:sc= 0.483 USER MOD Single : A 135 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-2.1) USER MOD Single : A 139 SER OG : rot 108:sc= -0.833 USER MOD Single : A 140 SER OG : rot 180:sc= -0.149 USER MOD Single : A 142 SER OG : rot 160:sc= -1.64 USER MOD Single : A 145 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot -165:sc= -3.2! USER MOD Single : A 151 THR OG1 : rot -111:sc= -0.346 USER MOD Single : A 153 LYS NZ :NH3+ -120:sc= -1.7 (180deg=-4.33!) USER MOD Single : A 155 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-1.3) USER MOD Single : A 157 GLN : amide:sc= -0.0514 K(o=-0.051,f=-0.79) USER MOD Single : A 159 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 23.085 6.155 -20.317 1.00 0.00 N ATOM 2 CA GLU A 92 22.189 5.737 -19.208 1.00 0.00 C ATOM 3 C GLU A 92 21.916 4.237 -19.248 1.00 0.00 C ATOM 4 O GLU A 92 21.675 3.668 -20.313 1.00 0.00 O ATOM 5 CB GLU A 92 20.874 6.514 -19.320 1.00 0.00 C ATOM 6 CG GLU A 92 21.037 8.019 -19.179 1.00 0.00 C ATOM 7 CD GLU A 92 21.519 8.435 -17.800 1.00 0.00 C ATOM 8 OE1 GLU A 92 21.718 7.547 -16.944 1.00 0.00 O ATOM 9 OE2 GLU A 92 21.693 9.652 -17.577 1.00 0.00 O ATOM 0 HA GLU A 92 22.677 5.956 -18.258 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.415 6.296 -20.284 1.00 0.00 H new ATOM 0 HB3 GLU A 92 20.186 6.159 -18.552 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.745 8.374 -19.928 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.083 8.504 -19.386 1.00 0.00 H new ATOM 18 N ALA A 93 21.953 3.606 -18.079 1.00 0.00 N ATOM 19 CA ALA A 93 21.707 2.173 -17.968 1.00 0.00 C ATOM 20 C ALA A 93 21.603 1.753 -16.506 1.00 0.00 C ATOM 21 O ALA A 93 20.649 1.084 -16.108 1.00 0.00 O ATOM 22 CB ALA A 93 22.812 1.390 -18.664 1.00 0.00 C ATOM 0 H ALA A 93 22.152 4.067 -17.191 1.00 0.00 H new ATOM 0 HA ALA A 93 20.758 1.951 -18.457 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.614 0.322 -18.572 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.843 1.664 -19.718 1.00 0.00 H new ATOM 0 HB3 ALA A 93 23.770 1.623 -18.200 1.00 0.00 H new ATOM 28 N GLU A 94 22.588 2.157 -15.712 1.00 0.00 N ATOM 29 CA GLU A 94 22.608 1.833 -14.291 1.00 0.00 C ATOM 30 C GLU A 94 21.577 2.663 -13.532 1.00 0.00 C ATOM 31 O GLU A 94 21.396 3.848 -13.811 1.00 0.00 O ATOM 32 CB GLU A 94 24.004 2.072 -13.711 1.00 0.00 C ATOM 33 CG GLU A 94 24.115 1.743 -12.231 1.00 0.00 C ATOM 34 CD GLU A 94 23.803 0.291 -11.930 1.00 0.00 C ATOM 35 OE1 GLU A 94 24.503 -0.591 -12.472 1.00 0.00 O ATOM 36 OE2 GLU A 94 22.859 0.034 -11.153 1.00 0.00 O ATOM 0 H GLU A 94 23.384 2.710 -16.029 1.00 0.00 H new ATOM 0 HA GLU A 94 22.354 0.779 -14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 94 24.725 1.470 -14.263 1.00 0.00 H new ATOM 0 HB3 GLU A 94 24.277 3.116 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.123 1.973 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 94 23.433 2.381 -11.669 1.00 0.00 H new ATOM 43 N PHE A 95 20.908 2.035 -12.570 1.00 0.00 N ATOM 44 CA PHE A 95 19.899 2.721 -11.770 1.00 0.00 C ATOM 45 C PHE A 95 19.603 1.956 -10.483 1.00 0.00 C ATOM 46 O PHE A 95 19.585 0.727 -10.463 1.00 0.00 O ATOM 47 CB PHE A 95 18.616 2.940 -12.584 1.00 0.00 C ATOM 48 CG PHE A 95 18.121 1.722 -13.319 1.00 0.00 C ATOM 49 CD1 PHE A 95 17.758 0.572 -12.635 1.00 0.00 C ATOM 50 CD2 PHE A 95 18.007 1.737 -14.700 1.00 0.00 C ATOM 51 CE1 PHE A 95 17.296 -0.540 -13.314 1.00 0.00 C ATOM 52 CE2 PHE A 95 17.544 0.628 -15.384 1.00 0.00 C ATOM 53 CZ PHE A 95 17.188 -0.511 -14.690 1.00 0.00 C ATOM 0 H PHE A 95 21.046 1.054 -12.326 1.00 0.00 H new ATOM 0 HA PHE A 95 20.297 3.697 -11.493 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.831 3.286 -11.912 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.792 3.737 -13.306 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.837 0.545 -11.558 1.00 0.00 H new ATOM 0 HD2 PHE A 95 18.283 2.625 -15.249 1.00 0.00 H new ATOM 0 HE1 PHE A 95 17.020 -1.430 -12.769 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.461 0.653 -16.461 1.00 0.00 H new ATOM 0 HZ PHE A 95 16.826 -1.378 -15.223 1.00 0.00 H new ATOM 63 N VAL A 96 19.387 2.702 -9.404 1.00 0.00 N ATOM 64 CA VAL A 96 19.103 2.108 -8.103 1.00 0.00 C ATOM 65 C VAL A 96 17.818 1.286 -8.140 1.00 0.00 C ATOM 66 O VAL A 96 16.829 1.691 -8.750 1.00 0.00 O ATOM 67 CB VAL A 96 18.979 3.192 -7.013 1.00 0.00 C ATOM 68 CG1 VAL A 96 18.713 2.560 -5.655 1.00 0.00 C ATOM 69 CG2 VAL A 96 20.235 4.049 -6.971 1.00 0.00 C ATOM 0 H VAL A 96 19.403 3.722 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 96 19.939 1.451 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 96 18.133 3.834 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 96 18.629 3.342 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 96 17.784 1.992 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.536 1.893 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.131 4.809 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.097 3.420 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.378 4.533 -7.937 1.00 0.00 H new ATOM 79 N ARG A 97 17.844 0.126 -7.486 1.00 0.00 N ATOM 80 CA ARG A 97 16.684 -0.759 -7.441 1.00 0.00 C ATOM 81 C ARG A 97 15.641 -0.258 -6.446 1.00 0.00 C ATOM 82 O ARG A 97 15.161 -1.016 -5.604 1.00 0.00 O ATOM 83 CB ARG A 97 17.109 -2.180 -7.068 1.00 0.00 C ATOM 84 CG ARG A 97 18.046 -2.825 -8.076 1.00 0.00 C ATOM 85 CD ARG A 97 18.374 -4.256 -7.683 1.00 0.00 C ATOM 86 NE ARG A 97 17.172 -5.080 -7.581 1.00 0.00 N ATOM 87 CZ ARG A 97 17.180 -6.352 -7.199 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.321 -6.946 -6.877 1.00 0.00 N ATOM 89 NH2 ARG A 97 16.043 -7.033 -7.133 1.00 0.00 N ATOM 0 H ARG A 97 18.658 -0.222 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 97 16.237 -0.765 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.597 -2.159 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.219 -2.800 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.586 -2.813 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.966 -2.244 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 97 19.050 -4.689 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.899 -4.259 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 97 16.276 -4.654 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.197 -6.426 -6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.322 -7.923 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.162 -6.580 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.050 -8.010 -6.840 1.00 0.00 H new ATOM 103 N ILE A 98 15.292 1.019 -6.549 1.00 0.00 N ATOM 104 CA ILE A 98 14.305 1.615 -5.660 1.00 0.00 C ATOM 105 C ILE A 98 13.000 0.825 -5.684 1.00 0.00 C ATOM 106 O ILE A 98 12.555 0.376 -6.742 1.00 0.00 O ATOM 107 CB ILE A 98 14.023 3.081 -6.041 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.544 3.170 -7.493 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.271 3.926 -5.832 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.189 4.574 -7.933 1.00 0.00 C ATOM 0 H ILE A 98 15.679 1.661 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 98 14.721 1.587 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 98 13.233 3.468 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.323 2.780 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.672 2.528 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.060 4.960 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.570 3.880 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.078 3.544 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.859 4.557 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.388 4.961 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.065 5.216 -7.841 1.00 0.00 H new ATOM 122 N CYS A 99 12.395 0.653 -4.512 1.00 0.00 N ATOM 123 CA CYS A 99 11.144 -0.090 -4.395 1.00 0.00 C ATOM 124 C CYS A 99 10.088 0.453 -5.355 1.00 0.00 C ATOM 125 O CYS A 99 9.918 1.666 -5.486 1.00 0.00 O ATOM 126 CB CYS A 99 10.626 -0.034 -2.956 1.00 0.00 C ATOM 127 SG CYS A 99 11.686 -0.890 -1.745 1.00 0.00 S ATOM 0 H CYS A 99 12.751 1.019 -3.629 1.00 0.00 H new ATOM 0 HA CYS A 99 11.343 -1.128 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.524 1.010 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.629 -0.473 -2.924 1.00 0.00 H new ATOM 132 N SER A 100 9.391 -0.460 -6.028 1.00 0.00 N ATOM 133 CA SER A 100 8.354 -0.094 -6.988 1.00 0.00 C ATOM 134 C SER A 100 7.401 0.949 -6.410 1.00 0.00 C ATOM 135 O SER A 100 6.849 0.769 -5.324 1.00 0.00 O ATOM 136 CB SER A 100 7.568 -1.336 -7.410 1.00 0.00 C ATOM 137 OG SER A 100 6.570 -1.010 -8.362 1.00 0.00 O ATOM 0 H SER A 100 9.528 -1.465 -5.924 1.00 0.00 H new ATOM 0 HA SER A 100 8.844 0.341 -7.859 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.249 -2.075 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.105 -1.792 -6.535 1.00 0.00 H new ATOM 0 HG SER A 100 6.214 -1.833 -8.758 1.00 0.00 H new ATOM 143 N LYS A 101 7.208 2.036 -7.152 1.00 0.00 N ATOM 144 CA LYS A 101 6.318 3.112 -6.728 1.00 0.00 C ATOM 145 C LYS A 101 4.882 2.838 -7.169 1.00 0.00 C ATOM 146 O LYS A 101 3.962 3.574 -6.812 1.00 0.00 O ATOM 147 CB LYS A 101 6.785 4.462 -7.285 1.00 0.00 C ATOM 148 CG LYS A 101 6.730 4.569 -8.806 1.00 0.00 C ATOM 149 CD LYS A 101 7.839 3.772 -9.479 1.00 0.00 C ATOM 150 CE LYS A 101 9.216 4.287 -9.087 1.00 0.00 C ATOM 151 NZ LYS A 101 9.411 5.710 -9.486 1.00 0.00 N ATOM 0 H LYS A 101 7.658 2.195 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 101 6.348 3.154 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.169 5.252 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.809 4.642 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.763 4.212 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.809 5.616 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.751 2.721 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.723 3.829 -10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.346 4.191 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.982 3.670 -9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.415 5.963 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.115 5.837 -10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.839 6.324 -8.872 1.00 0.00 H new ATOM 165 N SER A 102 4.703 1.780 -7.955 1.00 0.00 N ATOM 166 CA SER A 102 3.383 1.408 -8.457 1.00 0.00 C ATOM 167 C SER A 102 2.382 1.255 -7.317 1.00 0.00 C ATOM 168 O SER A 102 1.202 1.563 -7.471 1.00 0.00 O ATOM 169 CB SER A 102 3.468 0.104 -9.253 1.00 0.00 C ATOM 170 OG SER A 102 3.920 -0.965 -8.439 1.00 0.00 O ATOM 0 H SER A 102 5.457 1.164 -8.259 1.00 0.00 H new ATOM 0 HA SER A 102 3.036 2.208 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.488 -0.138 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.146 0.234 -10.097 1.00 0.00 H new ATOM 0 HG SER A 102 4.826 -0.772 -8.119 1.00 0.00 H new ATOM 176 N TYR A 103 2.856 0.770 -6.177 1.00 0.00 N ATOM 177 CA TYR A 103 1.999 0.570 -5.014 1.00 0.00 C ATOM 178 C TYR A 103 1.306 1.869 -4.596 1.00 0.00 C ATOM 179 O TYR A 103 0.164 1.848 -4.134 1.00 0.00 O ATOM 180 CB TYR A 103 2.811 0.013 -3.839 1.00 0.00 C ATOM 181 CG TYR A 103 3.303 -1.408 -4.039 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.966 -1.785 -5.201 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.100 -2.372 -3.059 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.414 -3.082 -5.379 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.543 -3.670 -3.229 1.00 0.00 C ATOM 186 CZ TYR A 103 4.199 -4.020 -4.391 1.00 0.00 C ATOM 187 OH TYR A 103 4.644 -5.311 -4.563 1.00 0.00 O ATOM 0 H TYR A 103 3.831 0.507 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 103 1.230 -0.150 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.670 0.662 -3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.198 0.049 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.134 -1.054 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.587 -2.102 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.929 -3.358 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.377 -4.406 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 103 5.151 -5.590 -3.772 1.00 0.00 H new ATOM 197 N LEU A 104 2.005 2.993 -4.741 1.00 0.00 N ATOM 198 CA LEU A 104 1.456 4.294 -4.358 1.00 0.00 C ATOM 199 C LEU A 104 0.467 4.834 -5.395 1.00 0.00 C ATOM 200 O LEU A 104 0.418 6.039 -5.643 1.00 0.00 O ATOM 201 CB LEU A 104 2.585 5.308 -4.141 1.00 0.00 C ATOM 202 CG LEU A 104 3.603 4.936 -3.058 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.504 3.804 -3.530 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.440 6.147 -2.676 1.00 0.00 C ATOM 0 H LEU A 104 2.951 3.030 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 104 0.911 4.148 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.116 5.443 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.142 6.270 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 104 3.054 4.597 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.219 3.557 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.898 2.927 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.042 4.116 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.158 5.865 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.974 6.512 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.789 6.934 -2.295 1.00 0.00 H new ATOM 216 N THR A 105 -0.330 3.946 -5.984 1.00 0.00 N ATOM 217 CA THR A 105 -1.328 4.346 -6.977 1.00 0.00 C ATOM 218 C THR A 105 -2.555 3.440 -6.908 1.00 0.00 C ATOM 219 O THR A 105 -2.859 2.717 -7.857 1.00 0.00 O ATOM 220 CB THR A 105 -0.767 4.320 -8.415 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.341 2.998 -8.757 1.00 0.00 O ATOM 222 CG2 THR A 105 0.395 5.289 -8.571 1.00 0.00 C ATOM 0 H THR A 105 -0.306 2.945 -5.792 1.00 0.00 H new ATOM 0 HA THR A 105 -1.608 5.371 -6.736 1.00 0.00 H new ATOM 0 HB THR A 105 -1.566 4.629 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.084 2.580 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.768 5.248 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.057 6.301 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.193 5.014 -7.882 1.00 0.00 H new ATOM 230 N LEU A 106 -3.248 3.474 -5.774 1.00 0.00 N ATOM 231 CA LEU A 106 -4.432 2.641 -5.581 1.00 0.00 C ATOM 232 C LEU A 106 -5.711 3.390 -5.940 1.00 0.00 C ATOM 233 O LEU A 106 -5.955 4.495 -5.453 1.00 0.00 O ATOM 234 CB LEU A 106 -4.511 2.164 -4.128 1.00 0.00 C ATOM 235 CG LEU A 106 -5.748 1.329 -3.780 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.910 0.167 -4.749 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.657 0.824 -2.349 1.00 0.00 C ATOM 0 H LEU A 106 -3.012 4.066 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.341 1.782 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.621 1.575 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.486 3.036 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.628 1.966 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.795 -0.410 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.021 0.552 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.030 -0.474 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.542 0.232 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.767 0.205 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.597 1.672 -1.667 1.00 0.00 H new ATOM 249 N GLU A 107 -6.535 2.766 -6.778 1.00 0.00 N ATOM 250 CA GLU A 107 -7.802 3.358 -7.187 1.00 0.00 C ATOM 251 C GLU A 107 -8.801 3.295 -6.039 1.00 0.00 C ATOM 252 O GLU A 107 -8.899 2.277 -5.351 1.00 0.00 O ATOM 253 CB GLU A 107 -8.366 2.632 -8.410 1.00 0.00 C ATOM 254 CG GLU A 107 -9.687 3.204 -8.901 1.00 0.00 C ATOM 255 CD GLU A 107 -10.258 2.439 -10.079 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.629 1.449 -10.507 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.338 2.830 -10.572 1.00 0.00 O ATOM 0 H GLU A 107 -6.346 1.850 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.627 4.400 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.636 2.679 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.504 1.579 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.408 3.194 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.543 4.246 -9.186 1.00 0.00 H new ATOM 264 N ASN A 108 -9.533 4.382 -5.829 1.00 0.00 N ATOM 265 CA ASN A 108 -10.514 4.440 -4.752 1.00 0.00 C ATOM 266 C ASN A 108 -9.834 4.195 -3.409 1.00 0.00 C ATOM 267 O ASN A 108 -10.351 3.470 -2.556 1.00 0.00 O ATOM 268 CB ASN A 108 -11.618 3.402 -4.979 1.00 0.00 C ATOM 269 CG ASN A 108 -12.380 3.620 -6.276 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.285 2.856 -6.609 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.021 4.664 -7.017 1.00 0.00 N ATOM 0 H ASN A 108 -9.467 5.233 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.964 5.433 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.176 2.406 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.317 3.434 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.501 4.855 -7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.265 5.274 -6.706 1.00 0.00 H new ATOM 278 N GLY A 109 -8.664 4.798 -3.235 1.00 0.00 N ATOM 279 CA GLY A 109 -7.919 4.631 -2.004 1.00 0.00 C ATOM 280 C GLY A 109 -6.724 5.558 -1.915 1.00 0.00 C ATOM 281 O GLY A 109 -6.297 6.135 -2.914 1.00 0.00 O ATOM 0 H GLY A 109 -8.218 5.401 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.580 4.814 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.579 3.598 -1.927 1.00 0.00 H new ATOM 285 N LYS A 110 -6.187 5.694 -0.710 1.00 0.00 N ATOM 286 CA LYS A 110 -5.033 6.550 -0.468 1.00 0.00 C ATOM 287 C LYS A 110 -3.919 5.755 0.200 1.00 0.00 C ATOM 288 O LYS A 110 -4.179 4.899 1.045 1.00 0.00 O ATOM 289 CB LYS A 110 -5.428 7.737 0.411 1.00 0.00 C ATOM 290 CG LYS A 110 -6.488 8.631 -0.211 1.00 0.00 C ATOM 291 CD LYS A 110 -6.910 9.736 0.742 1.00 0.00 C ATOM 292 CE LYS A 110 -7.969 10.634 0.123 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.431 11.683 1.074 1.00 0.00 N ATOM 0 H LYS A 110 -6.536 5.218 0.122 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.673 6.926 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.795 7.364 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.540 8.333 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.102 9.070 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.357 8.032 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.297 9.296 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.040 10.333 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.566 11.107 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.819 10.029 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.153 12.275 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.839 11.232 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.624 12.276 1.355 1.00 0.00 H new ATOM 307 N VAL A 111 -2.679 6.034 -0.186 1.00 0.00 N ATOM 308 CA VAL A 111 -1.538 5.329 0.377 1.00 0.00 C ATOM 309 C VAL A 111 -0.723 6.245 1.288 1.00 0.00 C ATOM 310 O VAL A 111 -0.480 7.406 0.962 1.00 0.00 O ATOM 311 CB VAL A 111 -0.626 4.770 -0.731 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.333 3.743 -0.160 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.459 4.157 -1.848 1.00 0.00 C ATOM 0 H VAL A 111 -2.441 6.740 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.931 4.499 0.964 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.044 5.593 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.970 3.358 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.952 4.210 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.233 2.922 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.798 3.767 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.066 3.346 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.110 4.919 -2.276 1.00 0.00 H new ATOM 323 N PHE A 112 -0.311 5.711 2.434 1.00 0.00 N ATOM 324 CA PHE A 112 0.472 6.470 3.405 1.00 0.00 C ATOM 325 C PHE A 112 1.920 5.993 3.420 1.00 0.00 C ATOM 326 O PHE A 112 2.185 4.802 3.293 1.00 0.00 O ATOM 327 CB PHE A 112 -0.140 6.331 4.804 1.00 0.00 C ATOM 328 CG PHE A 112 -1.481 6.997 4.952 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.519 6.706 4.080 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.705 7.912 5.969 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.751 7.316 4.217 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.936 8.526 6.111 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.960 8.226 5.234 1.00 0.00 C ATOM 0 H PHE A 112 -0.508 4.750 2.714 1.00 0.00 H new ATOM 0 HA PHE A 112 0.456 7.520 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.243 5.272 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.548 6.756 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.362 5.993 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.908 8.148 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.550 7.081 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.096 9.239 6.906 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.923 8.703 5.344 1.00 0.00 H new ATOM 343 N LEU A 113 2.855 6.927 3.566 1.00 0.00 N ATOM 344 CA LEU A 113 4.273 6.582 3.582 1.00 0.00 C ATOM 345 C LEU A 113 5.056 7.528 4.487 1.00 0.00 C ATOM 346 O LEU A 113 4.838 8.740 4.478 1.00 0.00 O ATOM 347 CB LEU A 113 4.834 6.618 2.152 1.00 0.00 C ATOM 348 CG LEU A 113 6.309 6.218 1.997 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.611 5.880 0.544 1.00 0.00 C ATOM 350 CD2 LEU A 113 7.230 7.333 2.470 1.00 0.00 C ATOM 0 H LEU A 113 2.659 7.922 3.674 1.00 0.00 H new ATOM 0 HA LEU A 113 4.380 5.573 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.231 5.956 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.709 7.627 1.759 1.00 0.00 H new ATOM 0 HG LEU A 113 6.487 5.339 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.659 5.598 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.981 5.050 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.410 6.750 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.268 7.023 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.048 8.231 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.035 7.545 3.521 1.00 0.00 H new ATOM 362 N THR A 114 5.979 6.960 5.260 1.00 0.00 N ATOM 363 CA THR A 114 6.810 7.741 6.169 1.00 0.00 C ATOM 364 C THR A 114 8.213 7.148 6.259 1.00 0.00 C ATOM 365 O THR A 114 8.384 5.985 6.627 1.00 0.00 O ATOM 366 CB THR A 114 6.204 7.800 7.584 1.00 0.00 C ATOM 367 OG1 THR A 114 6.082 6.478 8.122 1.00 0.00 O ATOM 368 CG2 THR A 114 4.838 8.471 7.562 1.00 0.00 C ATOM 0 H THR A 114 6.170 5.958 5.274 1.00 0.00 H new ATOM 0 HA THR A 114 6.860 8.752 5.765 1.00 0.00 H new ATOM 0 HB THR A 114 6.870 8.389 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.812 5.918 7.783 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.431 8.501 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.938 9.487 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.166 7.906 6.916 1.00 0.00 H new ATOM 376 N GLY A 115 9.211 7.955 5.914 1.00 0.00 N ATOM 377 CA GLY A 115 10.587 7.497 5.956 1.00 0.00 C ATOM 378 C GLY A 115 11.448 8.176 4.909 1.00 0.00 C ATOM 379 O GLY A 115 12.576 8.582 5.188 1.00 0.00 O ATOM 0 H GLY A 115 9.091 8.920 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.002 7.689 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.614 6.418 5.803 1.00 0.00 H new ATOM 383 N GLY A 116 10.909 8.297 3.699 1.00 0.00 N ATOM 384 CA GLY A 116 11.636 8.930 2.616 1.00 0.00 C ATOM 385 C GLY A 116 10.830 8.965 1.333 1.00 0.00 C ATOM 386 O GLY A 116 9.627 9.227 1.357 1.00 0.00 O ATOM 0 H GLY A 116 9.977 7.966 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.902 9.947 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.569 8.393 2.443 1.00 0.00 H new ATOM 390 N ASP A 117 11.491 8.694 0.209 1.00 0.00 N ATOM 391 CA ASP A 117 10.827 8.689 -1.090 1.00 0.00 C ATOM 392 C ASP A 117 11.800 8.303 -2.193 1.00 0.00 C ATOM 393 O ASP A 117 11.606 7.306 -2.890 1.00 0.00 O ATOM 394 CB ASP A 117 10.222 10.064 -1.385 1.00 0.00 C ATOM 395 CG ASP A 117 9.500 10.111 -2.719 1.00 0.00 C ATOM 396 OD1 ASP A 117 10.167 9.951 -3.764 1.00 0.00 O ATOM 397 OD2 ASP A 117 8.267 10.302 -2.720 1.00 0.00 O ATOM 0 H ASP A 117 12.487 8.475 0.173 1.00 0.00 H new ATOM 0 HA ASP A 117 10.027 7.949 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.525 10.328 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.013 10.814 -1.378 1.00 0.00 H new ATOM 402 N LEU A 118 12.839 9.106 -2.349 1.00 0.00 N ATOM 403 CA LEU A 118 13.841 8.866 -3.370 1.00 0.00 C ATOM 404 C LEU A 118 15.218 9.374 -2.929 1.00 0.00 C ATOM 405 O LEU A 118 15.351 10.494 -2.435 1.00 0.00 O ATOM 406 CB LEU A 118 13.388 9.517 -4.684 1.00 0.00 C ATOM 407 CG LEU A 118 13.510 11.049 -4.805 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.956 11.748 -3.570 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.950 11.470 -5.060 1.00 0.00 C ATOM 0 H LEU A 118 13.010 9.934 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 118 13.943 7.792 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.963 9.070 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.344 9.250 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 118 12.912 11.356 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.057 12.827 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.903 11.493 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.511 11.425 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.003 12.556 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.578 11.136 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.302 11.020 -5.988 1.00 0.00 H new ATOM 421 N PRO A 119 16.267 8.547 -3.101 1.00 0.00 N ATOM 422 CA PRO A 119 16.154 7.207 -3.680 1.00 0.00 C ATOM 423 C PRO A 119 15.612 6.190 -2.677 1.00 0.00 C ATOM 424 O PRO A 119 15.781 4.982 -2.853 1.00 0.00 O ATOM 425 CB PRO A 119 17.598 6.850 -4.072 1.00 0.00 C ATOM 426 CG PRO A 119 18.427 8.057 -3.756 1.00 0.00 C ATOM 427 CD PRO A 119 17.653 8.852 -2.745 1.00 0.00 C ATOM 0 HA PRO A 119 15.458 7.189 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.949 5.980 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.663 6.599 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.400 7.767 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.612 8.646 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.887 8.549 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.866 9.919 -2.817 1.00 0.00 H new ATOM 435 N ALA A 120 14.958 6.687 -1.628 1.00 0.00 N ATOM 436 CA ALA A 120 14.391 5.828 -0.594 1.00 0.00 C ATOM 437 C ALA A 120 15.429 4.832 -0.080 1.00 0.00 C ATOM 438 O ALA A 120 16.591 5.189 0.118 1.00 0.00 O ATOM 439 CB ALA A 120 13.161 5.107 -1.131 1.00 0.00 C ATOM 0 H ALA A 120 14.808 7.684 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 120 14.088 6.451 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.745 4.468 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 120 12.414 5.840 -1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.443 4.496 -1.989 1.00 0.00 H new ATOM 445 N LEU A 121 15.012 3.583 0.127 1.00 0.00 N ATOM 446 CA LEU A 121 15.917 2.545 0.610 1.00 0.00 C ATOM 447 C LEU A 121 16.529 2.925 1.956 1.00 0.00 C ATOM 448 O LEU A 121 17.742 3.098 2.071 1.00 0.00 O ATOM 449 CB LEU A 121 17.020 2.285 -0.409 1.00 0.00 C ATOM 450 CG LEU A 121 16.531 1.812 -1.777 1.00 0.00 C ATOM 451 CD1 LEU A 121 17.705 1.328 -2.598 1.00 0.00 C ATOM 452 CD2 LEU A 121 15.501 0.700 -1.632 1.00 0.00 C ATOM 0 H LEU A 121 14.055 3.268 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 121 15.335 1.634 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.596 3.201 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 121 17.701 1.536 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 121 16.055 2.651 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 121 17.353 0.991 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.417 2.143 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 121 18.193 0.500 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 121 15.169 0.381 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 121 15.949 -0.145 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 121 14.647 1.067 -1.063 1.00 0.00 H new ATOM 464 N ASP A 122 15.680 3.061 2.971 1.00 0.00 N ATOM 465 CA ASP A 122 16.139 3.428 4.303 1.00 0.00 C ATOM 466 C ASP A 122 15.060 3.136 5.346 1.00 0.00 C ATOM 467 O ASP A 122 14.712 3.995 6.157 1.00 0.00 O ATOM 468 CB ASP A 122 16.516 4.910 4.328 1.00 0.00 C ATOM 469 CG ASP A 122 17.136 5.341 5.645 1.00 0.00 C ATOM 470 OD1 ASP A 122 17.296 4.482 6.538 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.464 6.538 5.781 1.00 0.00 O ATOM 0 H ASP A 122 14.672 2.922 2.895 1.00 0.00 H new ATOM 0 HA ASP A 122 17.018 2.831 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.216 5.115 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.625 5.509 4.138 1.00 0.00 H new ATOM 476 N GLY A 123 14.539 1.913 5.316 1.00 0.00 N ATOM 477 CA GLY A 123 13.508 1.516 6.260 1.00 0.00 C ATOM 478 C GLY A 123 12.216 2.291 6.086 1.00 0.00 C ATOM 479 O GLY A 123 11.583 2.681 7.067 1.00 0.00 O ATOM 0 H GLY A 123 14.813 1.188 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.306 0.451 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.878 1.660 7.275 1.00 0.00 H new ATOM 483 N ALA A 124 11.821 2.509 4.836 1.00 0.00 N ATOM 484 CA ALA A 124 10.591 3.236 4.539 1.00 0.00 C ATOM 485 C ALA A 124 9.365 2.358 4.773 1.00 0.00 C ATOM 486 O ALA A 124 9.331 1.201 4.357 1.00 0.00 O ATOM 487 CB ALA A 124 10.611 3.750 3.108 1.00 0.00 C ATOM 0 H ALA A 124 12.334 2.193 4.013 1.00 0.00 H new ATOM 0 HA ALA A 124 10.530 4.088 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.687 4.290 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.460 4.420 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.701 2.909 2.421 1.00 0.00 H new ATOM 493 N ARG A 125 8.361 2.917 5.442 1.00 0.00 N ATOM 494 CA ARG A 125 7.132 2.185 5.730 1.00 0.00 C ATOM 495 C ARG A 125 5.952 2.778 4.964 1.00 0.00 C ATOM 496 O ARG A 125 5.877 3.992 4.768 1.00 0.00 O ATOM 497 CB ARG A 125 6.844 2.202 7.233 1.00 0.00 C ATOM 498 CG ARG A 125 5.608 1.408 7.626 1.00 0.00 C ATOM 499 CD ARG A 125 5.357 1.471 9.124 1.00 0.00 C ATOM 500 NE ARG A 125 4.164 0.726 9.513 1.00 0.00 N ATOM 501 CZ ARG A 125 3.713 0.655 10.761 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.356 1.280 11.739 1.00 0.00 N ATOM 503 NH2 ARG A 125 2.618 -0.042 11.034 1.00 0.00 N ATOM 0 H ARG A 125 8.374 3.874 5.795 1.00 0.00 H new ATOM 0 HA ARG A 125 7.268 1.153 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.707 1.801 7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.721 3.235 7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.740 1.798 7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.729 0.369 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.222 1.071 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.250 2.512 9.430 1.00 0.00 H new ATOM 0 HE ARG A 125 3.647 0.232 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.199 1.817 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.008 1.224 12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.121 -0.525 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.273 -0.095 11.992 1.00 0.00 H new ATOM 517 N VAL A 126 5.036 1.918 4.531 1.00 0.00 N ATOM 518 CA VAL A 126 3.864 2.361 3.783 1.00 0.00 C ATOM 519 C VAL A 126 2.622 1.569 4.188 1.00 0.00 C ATOM 520 O VAL A 126 2.697 0.367 4.450 1.00 0.00 O ATOM 521 CB VAL A 126 4.087 2.228 2.263 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.366 0.788 1.886 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.890 2.753 1.491 1.00 0.00 C ATOM 0 H VAL A 126 5.082 0.911 4.685 1.00 0.00 H new ATOM 0 HA VAL A 126 3.708 3.413 4.024 1.00 0.00 H new ATOM 0 HB VAL A 126 4.956 2.830 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.520 0.717 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.261 0.443 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.518 0.166 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.072 2.648 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.002 2.184 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.735 3.805 1.731 1.00 0.00 H new ATOM 533 N GLU A 127 1.483 2.257 4.252 1.00 0.00 N ATOM 534 CA GLU A 127 0.225 1.624 4.638 1.00 0.00 C ATOM 535 C GLU A 127 -0.905 2.025 3.693 1.00 0.00 C ATOM 536 O GLU A 127 -1.197 3.208 3.526 1.00 0.00 O ATOM 537 CB GLU A 127 -0.139 2.031 6.070 1.00 0.00 C ATOM 538 CG GLU A 127 -1.369 1.323 6.617 1.00 0.00 C ATOM 539 CD GLU A 127 -1.161 -0.169 6.791 1.00 0.00 C ATOM 540 OE1 GLU A 127 -0.035 -0.647 6.546 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.127 -0.861 7.179 1.00 0.00 O ATOM 0 H GLU A 127 1.407 3.252 4.041 1.00 0.00 H new ATOM 0 HA GLU A 127 0.356 0.543 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.709 1.823 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.308 3.107 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.638 1.762 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.209 1.492 5.943 1.00 0.00 H new ATOM 548 N PHE A 128 -1.542 1.030 3.081 1.00 0.00 N ATOM 549 CA PHE A 128 -2.645 1.278 2.158 1.00 0.00 C ATOM 550 C PHE A 128 -3.941 1.540 2.918 1.00 0.00 C ATOM 551 O PHE A 128 -4.163 0.981 3.992 1.00 0.00 O ATOM 552 CB PHE A 128 -2.829 0.097 1.201 1.00 0.00 C ATOM 553 CG PHE A 128 -1.634 -0.172 0.330 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.416 -0.529 0.888 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.732 -0.074 -1.049 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.681 -0.780 0.088 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.637 -0.325 -1.853 1.00 0.00 C ATOM 558 CZ PHE A 128 0.571 -0.677 -1.285 1.00 0.00 C ATOM 0 H PHE A 128 -1.313 0.044 3.208 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.398 2.165 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.052 -0.798 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.694 0.288 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.324 -0.612 1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.674 0.201 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.624 -1.057 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.726 -0.246 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.428 -0.871 -1.913 1.00 0.00 H new ATOM 568 N ARG A 129 -4.793 2.391 2.353 1.00 0.00 N ATOM 569 CA ARG A 129 -6.068 2.727 2.980 1.00 0.00 C ATOM 570 C ARG A 129 -7.172 2.853 1.935 1.00 0.00 C ATOM 571 O ARG A 129 -7.006 3.531 0.922 1.00 0.00 O ATOM 572 CB ARG A 129 -5.948 4.040 3.760 1.00 0.00 C ATOM 573 CG ARG A 129 -4.891 4.014 4.852 1.00 0.00 C ATOM 574 CD ARG A 129 -5.251 3.041 5.964 1.00 0.00 C ATOM 575 NE ARG A 129 -6.482 3.422 6.650 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.979 2.762 7.692 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.349 1.697 8.169 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.105 3.170 8.261 1.00 0.00 N ATOM 0 H ARG A 129 -4.624 2.860 1.463 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.327 1.921 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.716 4.845 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.914 4.274 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.930 3.734 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.774 5.015 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.364 2.040 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.434 2.996 6.684 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.989 4.240 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.481 1.382 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.733 1.193 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.591 3.991 7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.485 2.663 9.060 1.00 0.00 H new ATOM 592 N CYS A 130 -8.297 2.194 2.188 1.00 0.00 N ATOM 593 CA CYS A 130 -9.431 2.232 1.270 1.00 0.00 C ATOM 594 C CYS A 130 -10.421 3.324 1.662 1.00 0.00 C ATOM 595 O CYS A 130 -10.683 3.543 2.845 1.00 0.00 O ATOM 596 CB CYS A 130 -10.134 0.876 1.240 1.00 0.00 C ATOM 597 SG CYS A 130 -9.078 -0.492 0.668 1.00 0.00 S ATOM 0 H CYS A 130 -8.449 1.626 3.022 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.049 2.459 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.500 0.645 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.006 0.945 0.590 1.00 0.00 H new ATOM 602 N ASP A 131 -10.972 4.007 0.661 1.00 0.00 N ATOM 603 CA ASP A 131 -11.938 5.075 0.901 1.00 0.00 C ATOM 604 C ASP A 131 -13.185 4.524 1.591 1.00 0.00 C ATOM 605 O ASP A 131 -13.432 3.319 1.559 1.00 0.00 O ATOM 606 CB ASP A 131 -12.320 5.756 -0.420 1.00 0.00 C ATOM 607 CG ASP A 131 -13.207 4.894 -1.297 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.371 4.665 -0.918 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.736 4.451 -2.364 1.00 0.00 O ATOM 0 H ASP A 131 -10.766 3.839 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.478 5.815 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.833 6.693 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -11.412 6.008 -0.968 1.00 0.00 H new ATOM 614 N PRO A 132 -13.989 5.400 2.225 1.00 0.00 N ATOM 615 CA PRO A 132 -15.213 4.999 2.919 1.00 0.00 C ATOM 616 C PRO A 132 -16.021 3.986 2.116 1.00 0.00 C ATOM 617 O PRO A 132 -15.996 4.002 0.886 1.00 0.00 O ATOM 618 CB PRO A 132 -15.998 6.312 3.080 1.00 0.00 C ATOM 619 CG PRO A 132 -15.184 7.373 2.402 1.00 0.00 C ATOM 620 CD PRO A 132 -13.780 6.847 2.315 1.00 0.00 C ATOM 0 HA PRO A 132 -14.997 4.509 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.987 6.232 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.147 6.550 4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.579 7.589 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.214 8.305 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.254 7.236 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.190 7.118 3.190 1.00 0.00 H new ATOM 628 N ASP A 133 -16.718 3.095 2.822 1.00 0.00 N ATOM 629 CA ASP A 133 -17.524 2.049 2.188 1.00 0.00 C ATOM 630 C ASP A 133 -16.641 0.895 1.716 1.00 0.00 C ATOM 631 O ASP A 133 -17.105 -0.236 1.585 1.00 0.00 O ATOM 632 CB ASP A 133 -18.338 2.605 1.014 1.00 0.00 C ATOM 633 CG ASP A 133 -19.294 3.704 1.437 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.295 4.065 2.633 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.041 4.206 0.570 1.00 0.00 O ATOM 0 H ASP A 133 -16.741 3.077 3.842 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.221 1.674 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.657 2.992 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.903 1.795 0.552 1.00 0.00 H new ATOM 640 N PHE A 134 -15.366 1.183 1.471 1.00 0.00 N ATOM 641 CA PHE A 134 -14.426 0.159 1.029 1.00 0.00 C ATOM 642 C PHE A 134 -13.439 -0.179 2.140 1.00 0.00 C ATOM 643 O PHE A 134 -12.896 0.714 2.792 1.00 0.00 O ATOM 644 CB PHE A 134 -13.655 0.617 -0.214 1.00 0.00 C ATOM 645 CG PHE A 134 -14.520 0.895 -1.409 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.347 2.004 -1.439 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.504 0.045 -2.502 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.142 2.263 -2.539 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.298 0.297 -3.604 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.118 1.407 -3.623 1.00 0.00 C ATOM 0 H PHE A 134 -14.961 2.114 1.571 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.004 -0.730 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.095 1.519 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.926 -0.149 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.371 2.675 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.864 -0.825 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.781 3.133 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.277 -0.374 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.740 1.606 -4.484 1.00 0.00 H new ATOM 660 N HIS A 135 -13.207 -1.470 2.347 1.00 0.00 N ATOM 661 CA HIS A 135 -12.278 -1.920 3.376 1.00 0.00 C ATOM 662 C HIS A 135 -11.184 -2.792 2.767 1.00 0.00 C ATOM 663 O HIS A 135 -11.460 -3.678 1.957 1.00 0.00 O ATOM 664 CB HIS A 135 -13.022 -2.685 4.474 1.00 0.00 C ATOM 665 CG HIS A 135 -13.772 -3.882 3.978 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.760 -3.808 3.019 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.677 -5.189 4.318 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.241 -5.017 2.791 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.600 -5.872 3.566 1.00 0.00 N ATOM 0 H HIS A 135 -13.648 -2.222 1.817 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.810 -1.043 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.305 -3.005 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.721 -2.008 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.001 -5.615 5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.025 -5.264 2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.764 -6.878 3.600 1.00 0.00 H new ATOM 678 N LEU A 136 -9.941 -2.521 3.154 1.00 0.00 N ATOM 679 CA LEU A 136 -8.800 -3.270 2.642 1.00 0.00 C ATOM 680 C LEU A 136 -8.726 -4.651 3.289 1.00 0.00 C ATOM 681 O LEU A 136 -8.805 -4.777 4.511 1.00 0.00 O ATOM 682 CB LEU A 136 -7.510 -2.492 2.899 1.00 0.00 C ATOM 683 CG LEU A 136 -6.302 -2.956 2.086 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.604 -2.872 0.598 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.081 -2.119 2.433 1.00 0.00 C ATOM 0 H LEU A 136 -9.699 -1.788 3.821 1.00 0.00 H new ATOM 0 HA LEU A 136 -8.925 -3.405 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.690 -1.439 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.265 -2.564 3.959 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.089 -3.996 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.735 -3.205 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.457 -3.509 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.837 -1.841 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.228 -2.460 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.281 -1.072 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -4.857 -2.224 3.495 1.00 0.00 H new ATOM 697 N VAL A 137 -8.590 -5.685 2.463 1.00 0.00 N ATOM 698 CA VAL A 137 -8.525 -7.057 2.960 1.00 0.00 C ATOM 699 C VAL A 137 -7.390 -7.846 2.305 1.00 0.00 C ATOM 700 O VAL A 137 -7.637 -8.783 1.546 1.00 0.00 O ATOM 701 CB VAL A 137 -9.855 -7.797 2.715 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.857 -9.149 3.414 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.033 -6.951 3.169 1.00 0.00 C ATOM 0 H VAL A 137 -8.523 -5.600 1.449 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.334 -6.992 4.031 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.956 -7.970 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.805 -9.654 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.040 -9.759 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.728 -9.004 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.961 -7.492 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.940 -6.739 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.044 -6.014 2.612 1.00 0.00 H new ATOM 713 N GLY A 138 -6.148 -7.470 2.597 1.00 0.00 N ATOM 714 CA GLY A 138 -5.020 -8.175 2.017 1.00 0.00 C ATOM 715 C GLY A 138 -3.684 -7.664 2.515 1.00 0.00 C ATOM 716 O GLY A 138 -3.499 -7.460 3.713 1.00 0.00 O ATOM 0 H GLY A 138 -5.905 -6.698 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.105 -9.237 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.058 -8.080 0.932 1.00 0.00 H new ATOM 720 N SER A 139 -2.754 -7.461 1.585 1.00 0.00 N ATOM 721 CA SER A 139 -1.423 -6.969 1.907 1.00 0.00 C ATOM 722 C SER A 139 -1.466 -5.483 2.254 1.00 0.00 C ATOM 723 O SER A 139 -0.836 -4.657 1.593 1.00 0.00 O ATOM 724 CB SER A 139 -0.493 -7.217 0.723 1.00 0.00 C ATOM 725 OG SER A 139 -1.044 -6.702 -0.475 1.00 0.00 O ATOM 0 H SER A 139 -2.904 -7.633 0.591 1.00 0.00 H new ATOM 0 HA SER A 139 -1.046 -7.504 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.474 -6.750 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.315 -8.287 0.614 1.00 0.00 H new ATOM 0 HG SER A 139 -0.551 -5.898 -0.743 1.00 0.00 H new ATOM 731 N SER A 140 -2.237 -5.154 3.285 1.00 0.00 N ATOM 732 CA SER A 140 -2.408 -3.784 3.731 1.00 0.00 C ATOM 733 C SER A 140 -1.076 -3.099 4.036 1.00 0.00 C ATOM 734 O SER A 140 -0.820 -1.993 3.560 1.00 0.00 O ATOM 735 CB SER A 140 -3.297 -3.772 4.972 1.00 0.00 C ATOM 736 OG SER A 140 -2.683 -4.462 6.047 1.00 0.00 O ATOM 0 H SER A 140 -2.761 -5.836 3.834 1.00 0.00 H new ATOM 0 HA SER A 140 -2.875 -3.223 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.502 -2.743 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.257 -4.234 4.740 1.00 0.00 H new ATOM 0 HG SER A 140 -3.272 -4.438 6.830 1.00 0.00 H new ATOM 742 N ARG A 141 -0.238 -3.746 4.841 1.00 0.00 N ATOM 743 CA ARG A 141 1.054 -3.169 5.207 1.00 0.00 C ATOM 744 C ARG A 141 2.194 -3.744 4.372 1.00 0.00 C ATOM 745 O ARG A 141 2.213 -4.931 4.054 1.00 0.00 O ATOM 746 CB ARG A 141 1.323 -3.358 6.707 1.00 0.00 C ATOM 747 CG ARG A 141 1.149 -4.787 7.209 1.00 0.00 C ATOM 748 CD ARG A 141 2.321 -5.677 6.827 1.00 0.00 C ATOM 749 NE ARG A 141 2.172 -7.034 7.347 1.00 0.00 N ATOM 750 CZ ARG A 141 1.170 -7.847 7.020 1.00 0.00 C ATOM 751 NH1 ARG A 141 0.238 -7.450 6.164 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.103 -9.061 7.548 1.00 0.00 N ATOM 0 H ARG A 141 -0.427 -4.661 5.250 1.00 0.00 H new ATOM 0 HA ARG A 141 1.008 -2.101 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.340 -3.032 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.653 -2.706 7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.040 -4.778 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.229 -5.205 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.410 -5.713 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 141 3.245 -5.242 7.208 1.00 0.00 H new ATOM 0 HE ARG A 141 2.877 -7.379 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.287 -6.518 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.528 -8.077 5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.819 -9.372 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.335 -9.684 7.298 1.00 0.00 H new ATOM 766 N SER A 142 3.141 -2.880 4.017 1.00 0.00 N ATOM 767 CA SER A 142 4.297 -3.277 3.218 1.00 0.00 C ATOM 768 C SER A 142 5.497 -2.394 3.554 1.00 0.00 C ATOM 769 O SER A 142 5.338 -1.213 3.862 1.00 0.00 O ATOM 770 CB SER A 142 3.970 -3.191 1.726 1.00 0.00 C ATOM 771 OG SER A 142 3.507 -1.900 1.376 1.00 0.00 O ATOM 0 H SER A 142 3.130 -1.893 4.272 1.00 0.00 H new ATOM 0 HA SER A 142 4.548 -4.311 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.858 -3.432 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.212 -3.933 1.474 1.00 0.00 H new ATOM 0 HG SER A 142 3.610 -1.766 0.411 1.00 0.00 H new ATOM 777 N VAL A 143 6.698 -2.967 3.508 1.00 0.00 N ATOM 778 CA VAL A 143 7.906 -2.210 3.821 1.00 0.00 C ATOM 779 C VAL A 143 8.946 -2.315 2.710 1.00 0.00 C ATOM 780 O VAL A 143 9.218 -3.400 2.195 1.00 0.00 O ATOM 781 CB VAL A 143 8.541 -2.677 5.148 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.942 -4.143 5.069 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.741 -1.810 5.501 1.00 0.00 C ATOM 0 H VAL A 143 6.859 -3.943 3.260 1.00 0.00 H new ATOM 0 HA VAL A 143 7.596 -1.170 3.918 1.00 0.00 H new ATOM 0 HB VAL A 143 7.797 -2.571 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.387 -4.450 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.060 -4.751 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.667 -4.279 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.175 -2.154 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.486 -1.880 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.422 -0.773 5.608 1.00 0.00 H new ATOM 793 N CYS A 144 9.529 -1.174 2.354 1.00 0.00 N ATOM 794 CA CYS A 144 10.549 -1.119 1.313 1.00 0.00 C ATOM 795 C CYS A 144 11.845 -1.764 1.793 1.00 0.00 C ATOM 796 O CYS A 144 12.209 -1.650 2.963 1.00 0.00 O ATOM 797 CB CYS A 144 10.806 0.332 0.900 1.00 0.00 C ATOM 798 SG CYS A 144 12.106 0.537 -0.363 1.00 0.00 S ATOM 0 H CYS A 144 9.310 -0.271 2.774 1.00 0.00 H new ATOM 0 HA CYS A 144 10.186 -1.675 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.878 0.759 0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 144 11.082 0.905 1.785 1.00 0.00 H new ATOM 803 N SER A 145 12.537 -2.438 0.883 1.00 0.00 N ATOM 804 CA SER A 145 13.793 -3.101 1.212 1.00 0.00 C ATOM 805 C SER A 145 14.712 -3.137 -0.008 1.00 0.00 C ATOM 806 O SER A 145 14.859 -2.132 -0.705 1.00 0.00 O ATOM 807 CB SER A 145 13.520 -4.520 1.722 1.00 0.00 C ATOM 808 OG SER A 145 12.689 -4.500 2.869 1.00 0.00 O ATOM 0 H SER A 145 12.249 -2.540 -0.090 1.00 0.00 H new ATOM 0 HA SER A 145 14.292 -2.537 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.045 -5.107 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 145 14.463 -5.011 1.961 1.00 0.00 H new ATOM 0 HG SER A 145 12.529 -5.418 3.173 1.00 0.00 H new ATOM 814 N GLN A 146 15.325 -4.291 -0.270 1.00 0.00 N ATOM 815 CA GLN A 146 16.220 -4.435 -1.415 1.00 0.00 C ATOM 816 C GLN A 146 15.524 -3.984 -2.697 1.00 0.00 C ATOM 817 O GLN A 146 16.152 -3.419 -3.593 1.00 0.00 O ATOM 818 CB GLN A 146 16.680 -5.888 -1.551 1.00 0.00 C ATOM 819 CG GLN A 146 15.540 -6.872 -1.759 1.00 0.00 C ATOM 820 CD GLN A 146 16.025 -8.295 -1.945 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.674 -8.863 -1.067 1.00 0.00 O ATOM 822 NE2 GLN A 146 15.710 -8.880 -3.095 1.00 0.00 N ATOM 0 H GLN A 146 15.218 -5.135 0.293 1.00 0.00 H new ATOM 0 HA GLN A 146 17.093 -3.803 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 146 17.372 -5.964 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 146 17.233 -6.170 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.868 -6.830 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.961 -6.572 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.170 -8.371 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.008 -9.838 -3.278 1.00 0.00 H new ATOM 831 N GLY A 147 14.223 -4.235 -2.767 1.00 0.00 N ATOM 832 CA GLY A 147 13.444 -3.852 -3.927 1.00 0.00 C ATOM 833 C GLY A 147 11.989 -4.252 -3.784 1.00 0.00 C ATOM 834 O GLY A 147 11.088 -3.440 -4.002 1.00 0.00 O ATOM 0 H GLY A 147 13.690 -4.702 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.512 -2.774 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.864 -4.320 -4.818 1.00 0.00 H new ATOM 838 N GLN A 148 11.763 -5.505 -3.404 1.00 0.00 N ATOM 839 CA GLN A 148 10.413 -6.020 -3.214 1.00 0.00 C ATOM 840 C GLN A 148 9.860 -5.597 -1.857 1.00 0.00 C ATOM 841 O GLN A 148 10.595 -5.534 -0.871 1.00 0.00 O ATOM 842 CB GLN A 148 10.406 -7.546 -3.321 1.00 0.00 C ATOM 843 CG GLN A 148 11.274 -8.231 -2.277 1.00 0.00 C ATOM 844 CD GLN A 148 11.193 -9.743 -2.347 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.518 -10.348 -3.369 1.00 0.00 O ATOM 846 NE2 GLN A 148 10.758 -10.363 -1.255 1.00 0.00 N ATOM 0 H GLN A 148 12.501 -6.185 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 148 9.778 -5.604 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.381 -7.905 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.750 -7.834 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.310 -7.920 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.969 -7.901 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.499 -9.822 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.683 -11.380 -1.242 1.00 0.00 H new ATOM 855 N TRP A 149 8.562 -5.319 -1.807 1.00 0.00 N ATOM 856 CA TRP A 149 7.918 -4.916 -0.562 1.00 0.00 C ATOM 857 C TRP A 149 7.534 -6.151 0.248 1.00 0.00 C ATOM 858 O TRP A 149 7.283 -7.214 -0.322 1.00 0.00 O ATOM 859 CB TRP A 149 6.674 -4.066 -0.842 1.00 0.00 C ATOM 860 CG TRP A 149 6.934 -2.868 -1.709 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.116 -2.855 -3.064 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.056 -1.507 -1.277 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.323 -1.569 -3.500 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.295 -0.724 -2.422 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.980 -0.873 -0.033 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.458 0.658 -2.360 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.145 0.498 0.025 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.381 1.250 -1.131 1.00 0.00 C ATOM 0 H TRP A 149 7.937 -5.365 -2.611 1.00 0.00 H new ATOM 0 HA TRP A 149 8.623 -4.314 0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.920 -4.691 -1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.255 -3.731 0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.099 -3.728 -3.699 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.473 -1.289 -4.469 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.796 -1.444 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.639 1.241 -3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 7.091 0.998 0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.505 2.320 -1.050 1.00 0.00 H new ATOM 879 N SER A 150 7.501 -6.015 1.574 1.00 0.00 N ATOM 880 CA SER A 150 7.157 -7.135 2.451 1.00 0.00 C ATOM 881 C SER A 150 5.966 -7.908 1.896 1.00 0.00 C ATOM 882 O SER A 150 5.960 -9.139 1.893 1.00 0.00 O ATOM 883 CB SER A 150 6.841 -6.637 3.862 1.00 0.00 C ATOM 884 OG SER A 150 5.691 -5.813 3.868 1.00 0.00 O ATOM 0 H SER A 150 7.707 -5.144 2.063 1.00 0.00 H new ATOM 0 HA SER A 150 8.018 -7.802 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.685 -7.488 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 150 7.693 -6.080 4.253 1.00 0.00 H new ATOM 0 HG SER A 150 5.645 -5.322 4.715 1.00 0.00 H new ATOM 890 N THR A 151 4.966 -7.177 1.418 1.00 0.00 N ATOM 891 CA THR A 151 3.773 -7.789 0.846 1.00 0.00 C ATOM 892 C THR A 151 3.298 -6.998 -0.370 1.00 0.00 C ATOM 893 O THR A 151 3.436 -5.775 -0.413 1.00 0.00 O ATOM 894 CB THR A 151 2.628 -7.877 1.871 1.00 0.00 C ATOM 895 OG1 THR A 151 2.202 -6.562 2.240 1.00 0.00 O ATOM 896 CG2 THR A 151 3.068 -8.640 3.112 1.00 0.00 C ATOM 0 H THR A 151 4.958 -6.157 1.415 1.00 0.00 H new ATOM 0 HA THR A 151 4.045 -8.801 0.545 1.00 0.00 H new ATOM 0 HB THR A 151 1.798 -8.413 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.456 -6.385 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.242 -8.689 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.365 -9.650 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.913 -8.128 3.573 1.00 0.00 H new ATOM 904 N PRO A 152 2.742 -7.686 -1.383 1.00 0.00 N ATOM 905 CA PRO A 152 2.258 -7.039 -2.611 1.00 0.00 C ATOM 906 C PRO A 152 1.165 -6.008 -2.344 1.00 0.00 C ATOM 907 O PRO A 152 1.062 -5.461 -1.248 1.00 0.00 O ATOM 908 CB PRO A 152 1.702 -8.203 -3.443 1.00 0.00 C ATOM 909 CG PRO A 152 1.493 -9.314 -2.471 1.00 0.00 C ATOM 910 CD PRO A 152 2.549 -9.144 -1.421 1.00 0.00 C ATOM 0 HA PRO A 152 3.053 -6.484 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.768 -7.927 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.399 -8.493 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.496 -9.268 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.582 -10.284 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.226 -9.534 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.469 -9.667 -1.684 1.00 0.00 H new ATOM 918 N LYS A 153 0.354 -5.747 -3.363 1.00 0.00 N ATOM 919 CA LYS A 153 -0.730 -4.779 -3.247 1.00 0.00 C ATOM 920 C LYS A 153 -2.071 -5.486 -3.048 1.00 0.00 C ATOM 921 O LYS A 153 -2.450 -6.347 -3.842 1.00 0.00 O ATOM 922 CB LYS A 153 -0.780 -3.898 -4.496 1.00 0.00 C ATOM 923 CG LYS A 153 -1.778 -2.757 -4.403 1.00 0.00 C ATOM 924 CD LYS A 153 -1.758 -1.904 -5.660 1.00 0.00 C ATOM 925 CE LYS A 153 -2.686 -0.706 -5.540 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.691 0.118 -6.780 1.00 0.00 N ATOM 0 H LYS A 153 0.427 -6.192 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.541 -4.153 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.213 -3.486 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.031 -4.518 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.780 -3.158 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.546 -2.138 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.741 -1.560 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.055 -2.510 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.698 -1.051 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.376 -0.090 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.373 1.083 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.049 -0.305 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.654 0.152 -7.170 1.00 0.00 H new ATOM 940 N PRO A 154 -2.807 -5.133 -1.979 1.00 0.00 N ATOM 941 CA PRO A 154 -4.106 -5.743 -1.684 1.00 0.00 C ATOM 942 C PRO A 154 -5.213 -5.240 -2.608 1.00 0.00 C ATOM 943 O PRO A 154 -4.961 -4.896 -3.763 1.00 0.00 O ATOM 944 CB PRO A 154 -4.370 -5.323 -0.239 1.00 0.00 C ATOM 945 CG PRO A 154 -3.622 -4.044 -0.067 1.00 0.00 C ATOM 946 CD PRO A 154 -2.428 -4.117 -0.978 1.00 0.00 C ATOM 0 HA PRO A 154 -4.094 -6.823 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.436 -5.185 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.022 -6.081 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.251 -3.191 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.311 -3.914 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.222 -3.154 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.528 -4.407 -0.435 1.00 0.00 H new ATOM 954 N HIS A 155 -6.441 -5.202 -2.094 1.00 0.00 N ATOM 955 CA HIS A 155 -7.586 -4.744 -2.876 1.00 0.00 C ATOM 956 C HIS A 155 -8.683 -4.185 -1.975 1.00 0.00 C ATOM 957 O HIS A 155 -8.869 -4.645 -0.849 1.00 0.00 O ATOM 958 CB HIS A 155 -8.140 -5.888 -3.729 1.00 0.00 C ATOM 959 CG HIS A 155 -8.487 -7.112 -2.941 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.559 -7.823 -2.209 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.668 -7.753 -2.771 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.154 -8.848 -1.624 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.433 -8.828 -1.949 1.00 0.00 N ATOM 0 H HIS A 155 -6.668 -5.483 -1.140 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.244 -3.943 -3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.030 -5.540 -4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.404 -6.152 -4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.618 -7.471 -3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.675 -9.578 -0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.134 -9.502 -1.640 1.00 0.00 H new ATOM 972 N CYS A 156 -9.412 -3.194 -2.482 1.00 0.00 N ATOM 973 CA CYS A 156 -10.496 -2.575 -1.727 1.00 0.00 C ATOM 974 C CYS A 156 -11.842 -3.156 -2.143 1.00 0.00 C ATOM 975 O CYS A 156 -12.157 -3.226 -3.332 1.00 0.00 O ATOM 976 CB CYS A 156 -10.495 -1.060 -1.943 1.00 0.00 C ATOM 977 SG CYS A 156 -8.993 -0.226 -1.341 1.00 0.00 S ATOM 0 H CYS A 156 -9.271 -2.803 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.338 -2.784 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.610 -0.855 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.362 -0.631 -1.441 1.00 0.00 H new ATOM 982 N GLN A 157 -12.629 -3.582 -1.160 1.00 0.00 N ATOM 983 CA GLN A 157 -13.937 -4.168 -1.432 1.00 0.00 C ATOM 984 C GLN A 157 -15.072 -3.226 -1.039 1.00 0.00 C ATOM 985 O GLN A 157 -15.044 -2.610 0.025 1.00 0.00 O ATOM 986 CB GLN A 157 -14.081 -5.498 -0.693 1.00 0.00 C ATOM 987 CG GLN A 157 -13.081 -6.550 -1.143 1.00 0.00 C ATOM 988 CD GLN A 157 -13.246 -7.865 -0.411 1.00 0.00 C ATOM 989 OE1 GLN A 157 -13.085 -7.936 0.808 1.00 0.00 O ATOM 990 NE2 GLN A 157 -13.576 -8.916 -1.152 1.00 0.00 N ATOM 0 H GLN A 157 -12.385 -3.533 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.005 -4.340 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.960 -5.326 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.091 -5.880 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.194 -6.718 -2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -12.070 -6.175 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.699 -8.811 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -13.706 -9.828 -0.714 1.00 0.00 H new ATOM 999 N VAL A 158 -16.074 -3.132 -1.910 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.233 -2.280 -1.672 1.00 0.00 C ATOM 1001 C VAL A 158 -18.254 -2.999 -0.789 1.00 0.00 C ATOM 1002 O VAL A 158 -19.450 -3.024 -1.082 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.892 -1.861 -3.007 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.399 -3.081 -3.763 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.011 -0.855 -2.777 1.00 0.00 C ATOM 0 H VAL A 158 -16.105 -3.641 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.891 -1.382 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.133 -1.374 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -18.859 -2.764 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.565 -3.749 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.137 -3.605 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.455 -0.580 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.774 -1.299 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.607 0.035 -2.295 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.765 -3.596 0.292 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.622 -4.329 1.216 1.00 0.00 C ATOM 1017 C ASN A 159 -19.467 -5.363 0.474 1.00 0.00 C ATOM 1018 O ASN A 159 -18.986 -5.891 -0.551 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.528 -3.372 1.993 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.786 -2.614 3.076 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.128 -3.212 3.928 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.900 -1.291 3.059 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.599 -5.635 0.924 1.00 0.00 O ATOM 0 H ASN A 159 -16.778 -3.587 0.550 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.977 -4.851 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.977 -2.661 1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.344 -3.936 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.432 -0.730 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.455 -0.836 2.334 1.00 0.00 H new TER 1030 ASN A 159