USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 CYS SG : rot -109:sc= 0.317 USER MOD Set 1.2: A 113 SER OG : rot 93:sc= 0.166 USER MOD Set 2.1: A 94 ASN : amide:sc= -8.21! K(o=-11!,f=-10) USER MOD Set 2.2: A 96 ASN : amide:sc= -2.75 K(o=-11,f=-10!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -74:sc= 1.08 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -152:sc= -2.23! USER MOD Single : A 95 HIS : no HE2:sc= 0.106 K(o=0.11,f=-1.1) USER MOD Single : A 103 GLN : amide:sc= -6.67! C(o=-6.7!,f=-8.5!) USER MOD Single : A 104 THR OG1 : rot -148:sc= -1.82! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.26) USER MOD Single : A 108 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.1!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.383 1.135 -2.745 1.00 1.00 C ATOM 15 O LEU A 65 6.848 0.906 -3.860 1.00 1.00 O ATOM 16 CB LEU A 65 6.370 -1.378 -2.244 1.00 1.00 C ATOM 17 CG LEU A 65 7.800 -1.651 -1.774 1.00 1.00 C ATOM 18 CD1 LEU A 65 8.768 -0.605 -2.330 1.00 1.00 C ATOM 19 CD2 LEU A 65 7.868 -1.742 -0.248 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.093 0.190 -0.866 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.716 -2.137 -1.814 1.00 1.00 H new ATOM 0 HB3 LEU A 65 6.334 -1.503 -3.326 1.00 1.00 H new ATOM 0 HG LEU A 65 8.111 -2.619 -2.168 1.00 1.00 H new ATOM 0 HD11 LEU A 65 9.778 -0.822 -1.981 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.747 -0.632 -3.419 1.00 1.00 H new ATOM 0 HD13 LEU A 65 8.470 0.386 -1.986 1.00 1.00 H new ATOM 0 HD21 LEU A 65 8.895 -1.937 0.059 1.00 1.00 H new ATOM 0 HD22 LEU A 65 7.531 -0.802 0.188 1.00 1.00 H new ATOM 0 HD23 LEU A 65 7.226 -2.553 0.097 1.00 1.00 H new ATOM 31 N PHE A 66 6.338 2.333 -2.181 1.00 1.00 N ATOM 32 CA PHE A 66 6.855 3.503 -2.870 1.00 1.00 C ATOM 33 C PHE A 66 8.053 4.094 -2.124 1.00 1.00 C ATOM 34 O PHE A 66 8.177 3.929 -0.911 1.00 1.00 O ATOM 35 CB PHE A 66 5.728 4.538 -2.900 1.00 1.00 C ATOM 36 CG PHE A 66 4.328 3.930 -3.000 1.00 1.00 C ATOM 37 CD1 PHE A 66 4.126 2.803 -3.735 1.00 1.00 C ATOM 38 CD2 PHE A 66 3.284 4.517 -2.355 1.00 1.00 C ATOM 39 CE1 PHE A 66 2.827 2.240 -3.828 1.00 1.00 C ATOM 40 CE2 PHE A 66 1.984 3.953 -2.448 1.00 1.00 C ATOM 41 CZ PHE A 66 1.783 2.826 -3.183 1.00 1.00 C ATOM 0 H PHE A 66 5.952 2.519 -1.255 1.00 1.00 H new ATOM 0 HA PHE A 66 7.184 3.229 -3.872 1.00 1.00 H new ATOM 0 HB2 PHE A 66 5.785 5.148 -1.998 1.00 1.00 H new ATOM 0 HB3 PHE A 66 5.884 5.206 -3.747 1.00 1.00 H new ATOM 0 HD1 PHE A 66 4.954 2.337 -4.248 1.00 1.00 H new ATOM 0 HD2 PHE A 66 3.444 5.412 -1.772 1.00 1.00 H new ATOM 0 HE1 PHE A 66 2.667 1.345 -4.411 1.00 1.00 H new ATOM 0 HE2 PHE A 66 1.155 4.419 -1.935 1.00 1.00 H new ATOM 0 HZ PHE A 66 0.795 2.397 -3.254 1.00 1.00 H new ATOM 51 N VAL A 67 8.906 4.769 -2.880 1.00 1.00 N ATOM 52 CA VAL A 67 10.090 5.385 -2.306 1.00 1.00 C ATOM 53 C VAL A 67 9.876 6.896 -2.203 1.00 1.00 C ATOM 54 O VAL A 67 9.106 7.471 -2.972 1.00 1.00 O ATOM 55 CB VAL A 67 11.325 5.011 -3.128 1.00 1.00 C ATOM 56 CG1 VAL A 67 11.054 3.780 -3.996 1.00 1.00 C ATOM 57 CG2 VAL A 67 11.794 6.191 -3.982 1.00 1.00 C ATOM 0 H VAL A 67 8.801 4.903 -3.886 1.00 1.00 H new ATOM 0 HA VAL A 67 10.262 5.012 -1.296 1.00 1.00 H new ATOM 0 HB VAL A 67 12.126 4.761 -2.433 1.00 1.00 H new ATOM 0 HG11 VAL A 67 11.948 3.536 -4.570 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.790 2.936 -3.358 1.00 1.00 H new ATOM 0 HG13 VAL A 67 10.231 3.990 -4.679 1.00 1.00 H new ATOM 0 HG21 VAL A 67 12.673 5.898 -4.556 1.00 1.00 H new ATOM 0 HG22 VAL A 67 10.997 6.486 -4.664 1.00 1.00 H new ATOM 0 HG23 VAL A 67 12.047 7.031 -3.335 1.00 1.00 H new ATOM 67 N ALA A 68 10.569 7.497 -1.248 1.00 1.00 N ATOM 68 CA ALA A 68 10.464 8.930 -1.035 1.00 1.00 C ATOM 69 C ALA A 68 11.101 9.665 -2.216 1.00 1.00 C ATOM 70 O ALA A 68 12.259 9.422 -2.551 1.00 1.00 O ATOM 71 CB ALA A 68 11.115 9.297 0.300 1.00 1.00 C ATOM 0 H ALA A 68 11.206 7.017 -0.612 1.00 1.00 H new ATOM 0 HA ALA A 68 9.419 9.234 -0.982 1.00 1.00 H new ATOM 0 HB1 ALA A 68 11.036 10.372 0.460 1.00 1.00 H new ATOM 0 HB2 ALA A 68 10.607 8.772 1.109 1.00 1.00 H new ATOM 0 HB3 ALA A 68 12.166 9.009 0.284 1.00 1.00 H new ATOM 77 N LEU A 69 10.317 10.549 -2.814 1.00 1.00 N ATOM 78 CA LEU A 69 10.790 11.321 -3.951 1.00 1.00 C ATOM 79 C LEU A 69 11.690 12.454 -3.453 1.00 1.00 C ATOM 80 O LEU A 69 12.913 12.364 -3.542 1.00 1.00 O ATOM 81 CB LEU A 69 9.612 11.800 -4.801 1.00 1.00 C ATOM 82 CG LEU A 69 9.714 11.528 -6.303 1.00 1.00 C ATOM 83 CD1 LEU A 69 8.333 11.261 -6.907 1.00 1.00 C ATOM 84 CD2 LEU A 69 10.442 12.667 -7.018 1.00 1.00 C ATOM 0 H LEU A 69 9.357 10.748 -2.533 1.00 1.00 H new ATOM 0 HA LEU A 69 11.395 10.698 -4.609 1.00 1.00 H new ATOM 0 HB2 LEU A 69 8.704 11.327 -4.427 1.00 1.00 H new ATOM 0 HB3 LEU A 69 9.496 12.874 -4.653 1.00 1.00 H new ATOM 0 HG LEU A 69 10.308 10.626 -6.447 1.00 1.00 H new ATOM 0 HD11 LEU A 69 8.434 11.071 -7.976 1.00 1.00 H new ATOM 0 HD12 LEU A 69 7.887 10.392 -6.424 1.00 1.00 H new ATOM 0 HD13 LEU A 69 7.694 12.130 -6.752 1.00 1.00 H new ATOM 0 HD21 LEU A 69 10.501 12.449 -8.084 1.00 1.00 H new ATOM 0 HD22 LEU A 69 9.896 13.599 -6.868 1.00 1.00 H new ATOM 0 HD23 LEU A 69 11.449 12.767 -6.612 1.00 1.00 H new ATOM 96 N TYR A 70 11.049 13.494 -2.940 1.00 1.00 N ATOM 97 CA TYR A 70 11.776 14.643 -2.429 1.00 1.00 C ATOM 98 C TYR A 70 11.777 14.655 -0.899 1.00 1.00 C ATOM 99 O TYR A 70 11.183 13.782 -0.267 1.00 1.00 O ATOM 100 CB TYR A 70 11.027 15.877 -2.935 1.00 1.00 C ATOM 101 CG TYR A 70 11.311 16.220 -4.399 1.00 1.00 C ATOM 102 CD1 TYR A 70 11.186 15.249 -5.372 1.00 1.00 C ATOM 103 CD2 TYR A 70 11.691 17.500 -4.747 1.00 1.00 C ATOM 104 CE1 TYR A 70 11.454 15.572 -6.750 1.00 1.00 C ATOM 105 CE2 TYR A 70 11.959 17.823 -6.124 1.00 1.00 C ATOM 106 CZ TYR A 70 11.827 16.843 -7.058 1.00 1.00 C ATOM 107 OH TYR A 70 12.080 17.148 -8.359 1.00 1.00 O ATOM 0 H TYR A 70 10.034 13.565 -2.867 1.00 1.00 H new ATOM 0 HA TYR A 70 12.814 14.618 -2.762 1.00 1.00 H new ATOM 0 HB2 TYR A 70 9.956 15.715 -2.811 1.00 1.00 H new ATOM 0 HB3 TYR A 70 11.294 16.732 -2.314 1.00 1.00 H new ATOM 0 HD1 TYR A 70 10.887 14.247 -5.100 1.00 1.00 H new ATOM 0 HD2 TYR A 70 11.787 18.260 -3.986 1.00 1.00 H new ATOM 0 HE1 TYR A 70 11.361 14.822 -7.521 1.00 1.00 H new ATOM 0 HE2 TYR A 70 12.258 18.821 -6.409 1.00 1.00 H new ATOM 0 HH TYR A 70 12.335 18.092 -8.430 1.00 1.00 H new ATOM 117 N ASP A 71 12.451 15.653 -0.347 1.00 1.00 N ATOM 118 CA ASP A 71 12.537 15.790 1.097 1.00 1.00 C ATOM 119 C ASP A 71 11.229 16.382 1.628 1.00 1.00 C ATOM 120 O ASP A 71 10.339 16.725 0.852 1.00 1.00 O ATOM 121 CB ASP A 71 13.677 16.730 1.495 1.00 1.00 C ATOM 122 CG ASP A 71 14.748 16.937 0.422 1.00 1.00 C ATOM 123 OD1 ASP A 71 14.822 16.075 -0.480 1.00 1.00 O ATOM 124 OD2 ASP A 71 15.468 17.953 0.528 1.00 1.00 O ATOM 0 H ASP A 71 12.943 16.375 -0.874 1.00 1.00 H new ATOM 0 HA ASP A 71 12.721 14.802 1.519 1.00 1.00 H new ATOM 0 HB2 ASP A 71 13.254 17.700 1.757 1.00 1.00 H new ATOM 0 HB3 ASP A 71 14.155 16.338 2.393 1.00 1.00 H new ATOM 129 N PHE A 72 11.155 16.483 2.947 1.00 1.00 N ATOM 130 CA PHE A 72 9.972 17.027 3.591 1.00 1.00 C ATOM 131 C PHE A 72 10.333 18.207 4.496 1.00 1.00 C ATOM 132 O PHE A 72 11.506 18.431 4.791 1.00 1.00 O ATOM 133 CB PHE A 72 9.373 15.909 4.445 1.00 1.00 C ATOM 134 CG PHE A 72 7.919 16.150 4.857 1.00 1.00 C ATOM 135 CD1 PHE A 72 6.915 15.937 3.965 1.00 1.00 C ATOM 136 CD2 PHE A 72 7.631 16.578 6.115 1.00 1.00 C ATOM 137 CE1 PHE A 72 5.566 16.161 4.347 1.00 1.00 C ATOM 138 CE2 PHE A 72 6.282 16.803 6.498 1.00 1.00 C ATOM 139 CZ PHE A 72 5.278 16.589 5.605 1.00 1.00 C ATOM 0 H PHE A 72 11.896 16.197 3.587 1.00 1.00 H new ATOM 0 HA PHE A 72 9.270 17.384 2.838 1.00 1.00 H new ATOM 0 HB2 PHE A 72 9.432 14.972 3.892 1.00 1.00 H new ATOM 0 HB3 PHE A 72 9.979 15.788 5.343 1.00 1.00 H new ATOM 0 HD1 PHE A 72 7.144 15.597 2.966 1.00 1.00 H new ATOM 0 HD2 PHE A 72 8.429 16.747 6.823 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.769 15.991 3.638 1.00 1.00 H new ATOM 0 HE2 PHE A 72 6.053 17.144 7.497 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.252 16.759 5.896 1.00 1.00 H new ATOM 149 N VAL A 73 9.304 18.930 4.910 1.00 1.00 N ATOM 150 CA VAL A 73 9.498 20.081 5.776 1.00 1.00 C ATOM 151 C VAL A 73 8.634 19.924 7.029 1.00 1.00 C ATOM 152 O VAL A 73 7.618 19.231 7.003 1.00 1.00 O ATOM 153 CB VAL A 73 9.205 21.370 5.005 1.00 1.00 C ATOM 154 CG1 VAL A 73 7.730 21.447 4.606 1.00 1.00 C ATOM 155 CG2 VAL A 73 9.617 22.600 5.817 1.00 1.00 C ATOM 0 H VAL A 73 8.333 18.742 4.662 1.00 1.00 H new ATOM 0 HA VAL A 73 10.536 20.142 6.104 1.00 1.00 H new ATOM 0 HB VAL A 73 9.799 21.356 4.091 1.00 1.00 H new ATOM 0 HG11 VAL A 73 7.549 22.373 4.059 1.00 1.00 H new ATOM 0 HG12 VAL A 73 7.480 20.596 3.972 1.00 1.00 H new ATOM 0 HG13 VAL A 73 7.109 21.427 5.502 1.00 1.00 H new ATOM 0 HG21 VAL A 73 9.398 23.503 5.246 1.00 1.00 H new ATOM 0 HG22 VAL A 73 9.062 22.620 6.755 1.00 1.00 H new ATOM 0 HG23 VAL A 73 10.685 22.555 6.029 1.00 1.00 H new ATOM 165 N ALA A 74 9.070 20.578 8.095 1.00 1.00 N ATOM 166 CA ALA A 74 8.349 20.519 9.355 1.00 1.00 C ATOM 167 C ALA A 74 7.040 21.300 9.226 1.00 1.00 C ATOM 168 O ALA A 74 6.983 22.310 8.527 1.00 1.00 O ATOM 169 CB ALA A 74 9.239 21.054 10.479 1.00 1.00 C ATOM 0 H ALA A 74 9.913 21.151 8.112 1.00 1.00 H new ATOM 0 HA ALA A 74 8.095 19.489 9.603 1.00 1.00 H new ATOM 0 HB1 ALA A 74 8.698 21.010 11.424 1.00 1.00 H new ATOM 0 HB2 ALA A 74 10.141 20.447 10.549 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.513 22.087 10.266 1.00 1.00 H new ATOM 175 N SER A 75 6.021 20.803 9.912 1.00 1.00 N ATOM 176 CA SER A 75 4.717 21.443 9.883 1.00 1.00 C ATOM 177 C SER A 75 3.984 21.197 11.203 1.00 1.00 C ATOM 178 O SER A 75 4.351 20.302 11.963 1.00 1.00 O ATOM 179 CB SER A 75 3.880 20.933 8.708 1.00 1.00 C ATOM 180 OG SER A 75 3.223 21.994 8.020 1.00 1.00 O ATOM 0 H SER A 75 6.072 19.965 10.491 1.00 1.00 H new ATOM 0 HA SER A 75 4.865 22.515 9.751 1.00 1.00 H new ATOM 0 HB2 SER A 75 4.523 20.393 8.013 1.00 1.00 H new ATOM 0 HB3 SER A 75 3.138 20.223 9.073 1.00 1.00 H new ATOM 0 HG SER A 75 2.701 21.628 7.276 1.00 1.00 H new ATOM 186 N GLY A 76 2.960 22.006 11.435 1.00 1.00 N ATOM 187 CA GLY A 76 2.172 21.887 12.650 1.00 1.00 C ATOM 188 C GLY A 76 0.793 21.296 12.353 1.00 1.00 C ATOM 189 O GLY A 76 -0.228 21.901 12.675 1.00 1.00 O ATOM 0 H GLY A 76 2.658 22.746 10.802 1.00 1.00 H new ATOM 0 HA2 GLY A 76 2.696 21.255 13.367 1.00 1.00 H new ATOM 0 HA3 GLY A 76 2.059 22.868 13.112 1.00 1.00 H new ATOM 193 N ASP A 77 0.807 20.120 11.742 1.00 1.00 N ATOM 194 CA ASP A 77 -0.430 19.440 11.399 1.00 1.00 C ATOM 195 C ASP A 77 -0.122 17.992 11.014 1.00 1.00 C ATOM 196 O ASP A 77 0.042 17.681 9.835 1.00 1.00 O ATOM 197 CB ASP A 77 -1.114 20.111 10.206 1.00 1.00 C ATOM 198 CG ASP A 77 -1.394 21.605 10.377 1.00 1.00 C ATOM 199 OD1 ASP A 77 -0.429 22.385 10.225 1.00 1.00 O ATOM 200 OD2 ASP A 77 -2.567 21.934 10.657 1.00 1.00 O ATOM 0 H ASP A 77 1.656 19.621 11.476 1.00 1.00 H new ATOM 0 HA ASP A 77 -1.090 19.484 12.265 1.00 1.00 H new ATOM 0 HB2 ASP A 77 -0.489 19.973 9.323 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -2.057 19.600 10.013 1.00 1.00 H new ATOM 205 N ASN A 78 -0.051 17.145 12.030 1.00 1.00 N ATOM 206 CA ASN A 78 0.235 15.738 11.813 1.00 1.00 C ATOM 207 C ASN A 78 1.287 15.599 10.710 1.00 1.00 C ATOM 208 O ASN A 78 0.989 15.113 9.621 1.00 1.00 O ATOM 209 CB ASN A 78 -1.018 14.983 11.368 1.00 1.00 C ATOM 210 CG ASN A 78 -2.239 15.419 12.181 1.00 1.00 C ATOM 211 OD1 ASN A 78 -3.102 16.143 11.713 1.00 1.00 O ATOM 212 ND2 ASN A 78 -2.262 14.940 13.421 1.00 1.00 N ATOM 0 H ASN A 78 -0.187 17.407 13.006 1.00 1.00 H new ATOM 0 HA ASN A 78 0.594 15.319 12.753 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -1.199 15.164 10.308 1.00 1.00 H new ATOM 0 HB3 ASN A 78 -0.862 13.911 11.486 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -3.035 15.174 14.044 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -1.507 14.339 13.749 1.00 1.00 H new ATOM 219 N THR A 79 2.496 16.037 11.032 1.00 1.00 N ATOM 220 CA THR A 79 3.593 15.968 10.082 1.00 1.00 C ATOM 221 C THR A 79 4.850 15.417 10.758 1.00 1.00 C ATOM 222 O THR A 79 4.963 15.444 11.983 1.00 1.00 O ATOM 223 CB THR A 79 3.788 17.362 9.482 1.00 1.00 C ATOM 224 OG1 THR A 79 3.689 17.152 8.076 1.00 1.00 O ATOM 225 CG2 THR A 79 5.209 17.892 9.681 1.00 1.00 C ATOM 0 H THR A 79 2.739 16.441 11.937 1.00 1.00 H new ATOM 0 HA THR A 79 3.369 15.277 9.269 1.00 1.00 H new ATOM 0 HB THR A 79 3.077 18.054 9.933 1.00 1.00 H new ATOM 0 HG1 THR A 79 4.507 16.721 7.751 1.00 1.00 H new ATOM 0 HG21 THR A 79 5.293 18.884 9.237 1.00 1.00 H new ATOM 0 HG22 THR A 79 5.429 17.952 10.747 1.00 1.00 H new ATOM 0 HG23 THR A 79 5.919 17.218 9.201 1.00 1.00 H new ATOM 233 N LEU A 80 5.763 14.930 9.931 1.00 1.00 N ATOM 234 CA LEU A 80 7.008 14.373 10.433 1.00 1.00 C ATOM 235 C LEU A 80 8.169 14.870 9.571 1.00 1.00 C ATOM 236 O LEU A 80 8.191 14.643 8.362 1.00 1.00 O ATOM 237 CB LEU A 80 6.916 12.848 10.521 1.00 1.00 C ATOM 238 CG LEU A 80 7.756 12.188 11.616 1.00 1.00 C ATOM 239 CD1 LEU A 80 7.293 10.752 11.871 1.00 1.00 C ATOM 240 CD2 LEU A 80 9.248 12.258 11.279 1.00 1.00 C ATOM 0 H LEU A 80 5.666 14.909 8.916 1.00 1.00 H new ATOM 0 HA LEU A 80 7.196 14.717 11.450 1.00 1.00 H new ATOM 0 HB2 LEU A 80 5.872 12.575 10.677 1.00 1.00 H new ATOM 0 HB3 LEU A 80 7.215 12.430 9.560 1.00 1.00 H new ATOM 0 HG LEU A 80 7.608 12.743 12.542 1.00 1.00 H new ATOM 0 HD11 LEU A 80 7.906 10.306 12.654 1.00 1.00 H new ATOM 0 HD12 LEU A 80 6.250 10.757 12.186 1.00 1.00 H new ATOM 0 HD13 LEU A 80 7.393 10.169 10.955 1.00 1.00 H new ATOM 0 HD21 LEU A 80 9.823 11.782 12.073 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.433 11.741 10.337 1.00 1.00 H new ATOM 0 HD23 LEU A 80 9.552 13.301 11.186 1.00 1.00 H new ATOM 252 N SER A 81 9.107 15.540 10.225 1.00 1.00 N ATOM 253 CA SER A 81 10.268 16.071 9.533 1.00 1.00 C ATOM 254 C SER A 81 11.153 14.925 9.040 1.00 1.00 C ATOM 255 O SER A 81 11.774 14.227 9.840 1.00 1.00 O ATOM 256 CB SER A 81 11.069 17.008 10.440 1.00 1.00 C ATOM 257 OG SER A 81 10.252 18.025 11.013 1.00 1.00 O ATOM 0 H SER A 81 9.086 15.727 11.227 1.00 1.00 H new ATOM 0 HA SER A 81 9.921 16.648 8.676 1.00 1.00 H new ATOM 0 HB2 SER A 81 11.538 16.429 11.235 1.00 1.00 H new ATOM 0 HB3 SER A 81 11.872 17.469 9.865 1.00 1.00 H new ATOM 0 HG SER A 81 10.800 18.601 11.586 1.00 1.00 H new ATOM 263 N ILE A 82 11.183 14.766 7.725 1.00 1.00 N ATOM 264 CA ILE A 82 11.981 13.717 7.115 1.00 1.00 C ATOM 265 C ILE A 82 13.015 14.346 6.180 1.00 1.00 C ATOM 266 O ILE A 82 12.795 15.433 5.646 1.00 1.00 O ATOM 267 CB ILE A 82 11.080 12.686 6.431 1.00 1.00 C ATOM 268 CG1 ILE A 82 9.603 13.030 6.633 1.00 1.00 C ATOM 269 CG2 ILE A 82 11.409 11.269 6.906 1.00 1.00 C ATOM 270 CD1 ILE A 82 8.711 12.156 5.750 1.00 1.00 C ATOM 0 H ILE A 82 10.667 15.347 7.065 1.00 1.00 H new ATOM 0 HA ILE A 82 12.533 13.167 7.878 1.00 1.00 H new ATOM 0 HB ILE A 82 11.275 12.719 5.359 1.00 1.00 H new ATOM 0 HG12 ILE A 82 9.333 12.890 7.680 1.00 1.00 H new ATOM 0 HG13 ILE A 82 9.435 14.081 6.398 1.00 1.00 H new ATOM 0 HG21 ILE A 82 10.754 10.556 6.405 1.00 1.00 H new ATOM 0 HG22 ILE A 82 12.447 11.038 6.669 1.00 1.00 H new ATOM 0 HG23 ILE A 82 11.260 11.203 7.984 1.00 1.00 H new ATOM 0 HD11 ILE A 82 7.666 12.421 5.913 1.00 1.00 H new ATOM 0 HD12 ILE A 82 8.967 12.316 4.703 1.00 1.00 H new ATOM 0 HD13 ILE A 82 8.863 11.107 6.004 1.00 1.00 H new ATOM 282 N THR A 83 14.122 13.637 6.009 1.00 1.00 N ATOM 283 CA THR A 83 15.190 14.113 5.147 1.00 1.00 C ATOM 284 C THR A 83 15.296 13.238 3.896 1.00 1.00 C ATOM 285 O THR A 83 14.809 12.109 3.881 1.00 1.00 O ATOM 286 CB THR A 83 16.479 14.154 5.971 1.00 1.00 C ATOM 287 OG1 THR A 83 16.056 14.603 7.255 1.00 1.00 O ATOM 288 CG2 THR A 83 17.443 15.243 5.495 1.00 1.00 C ATOM 0 H THR A 83 14.302 12.737 6.453 1.00 1.00 H new ATOM 0 HA THR A 83 14.986 15.120 4.784 1.00 1.00 H new ATOM 0 HB THR A 83 16.973 13.184 5.921 1.00 1.00 H new ATOM 0 HG1 THR A 83 16.830 14.657 7.854 1.00 1.00 H new ATOM 0 HG21 THR A 83 18.341 15.229 6.113 1.00 1.00 H new ATOM 0 HG22 THR A 83 17.715 15.059 4.456 1.00 1.00 H new ATOM 0 HG23 THR A 83 16.961 16.217 5.577 1.00 1.00 H new ATOM 296 N LYS A 84 15.936 13.793 2.877 1.00 1.00 N ATOM 297 CA LYS A 84 16.112 13.078 1.625 1.00 1.00 C ATOM 298 C LYS A 84 16.946 11.820 1.875 1.00 1.00 C ATOM 299 O LYS A 84 17.294 11.517 3.015 1.00 1.00 O ATOM 300 CB LYS A 84 16.699 14.003 0.557 1.00 1.00 C ATOM 301 CG LYS A 84 18.225 14.047 0.649 1.00 1.00 C ATOM 302 CD LYS A 84 18.838 14.560 -0.656 1.00 1.00 C ATOM 303 CE LYS A 84 20.278 15.030 -0.438 1.00 1.00 C ATOM 304 NZ LYS A 84 21.175 14.443 -1.458 1.00 1.00 N ATOM 0 H LYS A 84 16.339 14.730 2.893 1.00 1.00 H new ATOM 0 HA LYS A 84 15.149 12.750 1.234 1.00 1.00 H new ATOM 0 HB2 LYS A 84 16.401 13.657 -0.433 1.00 1.00 H new ATOM 0 HB3 LYS A 84 16.295 15.008 0.679 1.00 1.00 H new ATOM 0 HG2 LYS A 84 18.525 14.693 1.474 1.00 1.00 H new ATOM 0 HG3 LYS A 84 18.609 13.051 0.868 1.00 1.00 H new ATOM 0 HD2 LYS A 84 18.819 13.769 -1.406 1.00 1.00 H new ATOM 0 HD3 LYS A 84 18.238 15.383 -1.045 1.00 1.00 H new ATOM 0 HE2 LYS A 84 20.323 16.118 -0.488 1.00 1.00 H new ATOM 0 HE3 LYS A 84 20.614 14.743 0.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 22.148 14.772 -1.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 21.145 13.406 -1.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 20.863 14.738 -2.405 1.00 1.00 H new ATOM 318 N GLY A 85 17.243 11.120 0.789 1.00 1.00 N ATOM 319 CA GLY A 85 18.029 9.901 0.876 1.00 1.00 C ATOM 320 C GLY A 85 17.765 9.171 2.194 1.00 1.00 C ATOM 321 O GLY A 85 18.683 8.616 2.795 1.00 1.00 O ATOM 0 H GLY A 85 16.953 11.374 -0.155 1.00 1.00 H new ATOM 0 HA2 GLY A 85 17.786 9.247 0.039 1.00 1.00 H new ATOM 0 HA3 GLY A 85 19.089 10.141 0.795 1.00 1.00 H new ATOM 325 N GLU A 86 16.506 9.195 2.605 1.00 1.00 N ATOM 326 CA GLU A 86 16.109 8.542 3.840 1.00 1.00 C ATOM 327 C GLU A 86 15.131 7.402 3.548 1.00 1.00 C ATOM 328 O GLU A 86 14.454 7.408 2.521 1.00 1.00 O ATOM 329 CB GLU A 86 15.502 9.547 4.821 1.00 1.00 C ATOM 330 CG GLU A 86 15.585 9.028 6.259 1.00 1.00 C ATOM 331 CD GLU A 86 17.041 8.914 6.717 1.00 1.00 C ATOM 332 OE1 GLU A 86 17.674 7.901 6.349 1.00 1.00 O ATOM 333 OE2 GLU A 86 17.487 9.843 7.425 1.00 1.00 O ATOM 0 H GLU A 86 15.747 9.657 2.104 1.00 1.00 H new ATOM 0 HA GLU A 86 16.999 8.120 4.307 1.00 1.00 H new ATOM 0 HB2 GLU A 86 16.027 10.499 4.743 1.00 1.00 H new ATOM 0 HB3 GLU A 86 14.461 9.735 4.558 1.00 1.00 H new ATOM 0 HG2 GLU A 86 15.042 9.700 6.924 1.00 1.00 H new ATOM 0 HG3 GLU A 86 15.101 8.054 6.326 1.00 1.00 H new ATOM 340 N LYS A 87 15.088 6.451 4.470 1.00 1.00 N ATOM 341 CA LYS A 87 14.204 5.307 4.324 1.00 1.00 C ATOM 342 C LYS A 87 12.759 5.750 4.562 1.00 1.00 C ATOM 343 O LYS A 87 12.273 5.713 5.691 1.00 1.00 O ATOM 344 CB LYS A 87 14.654 4.162 5.234 1.00 1.00 C ATOM 345 CG LYS A 87 16.171 4.185 5.434 1.00 1.00 C ATOM 346 CD LYS A 87 16.719 2.770 5.633 1.00 1.00 C ATOM 347 CE LYS A 87 18.239 2.790 5.805 1.00 1.00 C ATOM 348 NZ LYS A 87 18.598 3.128 7.201 1.00 1.00 N ATOM 0 H LYS A 87 15.651 6.449 5.321 1.00 1.00 H new ATOM 0 HA LYS A 87 14.254 4.915 3.308 1.00 1.00 H new ATOM 0 HB2 LYS A 87 14.155 4.242 6.200 1.00 1.00 H new ATOM 0 HB3 LYS A 87 14.355 3.208 4.799 1.00 1.00 H new ATOM 0 HG2 LYS A 87 16.649 4.646 4.569 1.00 1.00 H new ATOM 0 HG3 LYS A 87 16.418 4.800 6.300 1.00 1.00 H new ATOM 0 HD2 LYS A 87 16.256 2.317 6.510 1.00 1.00 H new ATOM 0 HD3 LYS A 87 16.454 2.150 4.777 1.00 1.00 H new ATOM 0 HE2 LYS A 87 18.654 1.817 5.542 1.00 1.00 H new ATOM 0 HE3 LYS A 87 18.679 3.518 5.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 19.633 3.137 7.301 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 18.219 4.067 7.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 18.195 2.418 7.845 1.00 1.00 H new ATOM 362 N LEU A 88 12.114 6.160 3.479 1.00 1.00 N ATOM 363 CA LEU A 88 10.735 6.610 3.556 1.00 1.00 C ATOM 364 C LEU A 88 9.906 5.885 2.494 1.00 1.00 C ATOM 365 O LEU A 88 10.104 6.093 1.298 1.00 1.00 O ATOM 366 CB LEU A 88 10.663 8.135 3.457 1.00 1.00 C ATOM 367 CG LEU A 88 9.259 8.743 3.483 1.00 1.00 C ATOM 368 CD1 LEU A 88 9.324 10.272 3.522 1.00 1.00 C ATOM 369 CD2 LEU A 88 8.418 8.235 2.310 1.00 1.00 C ATOM 0 H LEU A 88 12.521 6.190 2.544 1.00 1.00 H new ATOM 0 HA LEU A 88 10.305 6.356 4.525 1.00 1.00 H new ATOM 0 HB2 LEU A 88 11.237 8.560 4.280 1.00 1.00 H new ATOM 0 HB3 LEU A 88 11.154 8.443 2.534 1.00 1.00 H new ATOM 0 HG LEU A 88 8.764 8.418 4.398 1.00 1.00 H new ATOM 0 HD11 LEU A 88 8.313 10.679 3.540 1.00 1.00 H new ATOM 0 HD12 LEU A 88 9.859 10.591 4.416 1.00 1.00 H new ATOM 0 HD13 LEU A 88 9.846 10.637 2.637 1.00 1.00 H new ATOM 0 HD21 LEU A 88 7.425 8.683 2.353 1.00 1.00 H new ATOM 0 HD22 LEU A 88 8.899 8.509 1.371 1.00 1.00 H new ATOM 0 HD23 LEU A 88 8.329 7.150 2.369 1.00 1.00 H new ATOM 381 N ARG A 89 8.995 5.048 2.970 1.00 1.00 N ATOM 382 CA ARG A 89 8.136 4.290 2.077 1.00 1.00 C ATOM 383 C ARG A 89 6.692 4.315 2.582 1.00 1.00 C ATOM 384 O ARG A 89 6.449 4.203 3.782 1.00 1.00 O ATOM 385 CB ARG A 89 8.604 2.838 1.962 1.00 1.00 C ATOM 386 CG ARG A 89 10.131 2.750 2.004 1.00 1.00 C ATOM 387 CD ARG A 89 10.612 1.362 1.573 1.00 1.00 C ATOM 388 NE ARG A 89 11.115 1.411 0.182 1.00 1.00 N ATOM 389 CZ ARG A 89 12.366 1.751 -0.153 1.00 1.00 C ATOM 390 NH1 ARG A 89 13.251 2.075 0.800 1.00 1.00 N ATOM 391 NH2 ARG A 89 12.734 1.767 -1.441 1.00 1.00 N ATOM 0 H ARG A 89 8.834 4.879 3.963 1.00 1.00 H new ATOM 0 HA ARG A 89 8.189 4.755 1.093 1.00 1.00 H new ATOM 0 HB2 ARG A 89 8.180 2.250 2.776 1.00 1.00 H new ATOM 0 HB3 ARG A 89 8.237 2.406 1.031 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.561 3.508 1.349 1.00 1.00 H new ATOM 0 HG3 ARG A 89 10.484 2.964 3.013 1.00 1.00 H new ATOM 0 HD2 ARG A 89 11.401 1.017 2.242 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.794 0.645 1.648 1.00 1.00 H new ATOM 0 HE ARG A 89 10.468 1.171 -0.569 1.00 1.00 H new ATOM 0 HH11 ARG A 89 12.972 2.063 1.781 1.00 1.00 H new ATOM 0 HH12 ARG A 89 14.204 2.334 0.544 1.00 1.00 H new ATOM 0 HH21 ARG A 89 12.061 1.520 -2.167 1.00 1.00 H new ATOM 0 HH22 ARG A 89 13.687 2.026 -1.696 1.00 1.00 H new ATOM 405 N VAL A 90 5.772 4.461 1.640 1.00 1.00 N ATOM 406 CA VAL A 90 4.358 4.502 1.975 1.00 1.00 C ATOM 407 C VAL A 90 3.899 3.105 2.399 1.00 1.00 C ATOM 408 O VAL A 90 3.835 2.193 1.577 1.00 1.00 O ATOM 409 CB VAL A 90 3.558 5.062 0.798 1.00 1.00 C ATOM 410 CG1 VAL A 90 2.059 5.071 1.108 1.00 1.00 C ATOM 411 CG2 VAL A 90 4.047 6.461 0.418 1.00 1.00 C ATOM 0 H VAL A 90 5.978 4.552 0.645 1.00 1.00 H new ATOM 0 HA VAL A 90 4.184 5.172 2.817 1.00 1.00 H new ATOM 0 HB VAL A 90 3.719 4.407 -0.058 1.00 1.00 H new ATOM 0 HG11 VAL A 90 1.513 5.474 0.255 1.00 1.00 H new ATOM 0 HG12 VAL A 90 1.722 4.053 1.306 1.00 1.00 H new ATOM 0 HG13 VAL A 90 1.872 5.692 1.984 1.00 1.00 H new ATOM 0 HG21 VAL A 90 3.461 6.836 -0.421 1.00 1.00 H new ATOM 0 HG22 VAL A 90 3.930 7.131 1.270 1.00 1.00 H new ATOM 0 HG23 VAL A 90 5.098 6.414 0.135 1.00 1.00 H new ATOM 421 N LEU A 91 3.591 2.983 3.682 1.00 1.00 N ATOM 422 CA LEU A 91 3.139 1.713 4.226 1.00 1.00 C ATOM 423 C LEU A 91 1.682 1.844 4.671 1.00 1.00 C ATOM 424 O LEU A 91 1.048 0.853 5.031 1.00 1.00 O ATOM 425 CB LEU A 91 4.082 1.240 5.334 1.00 1.00 C ATOM 426 CG LEU A 91 5.008 0.076 4.976 1.00 1.00 C ATOM 427 CD1 LEU A 91 6.255 0.076 5.861 1.00 1.00 C ATOM 428 CD2 LEU A 91 4.261 -1.258 5.037 1.00 1.00 C ATOM 0 H LEU A 91 3.645 3.743 4.361 1.00 1.00 H new ATOM 0 HA LEU A 91 3.170 0.937 3.461 1.00 1.00 H new ATOM 0 HB2 LEU A 91 4.697 2.085 5.646 1.00 1.00 H new ATOM 0 HB3 LEU A 91 3.481 0.948 6.195 1.00 1.00 H new ATOM 0 HG LEU A 91 5.343 0.210 3.948 1.00 1.00 H new ATOM 0 HD11 LEU A 91 6.896 -0.761 5.586 1.00 1.00 H new ATOM 0 HD12 LEU A 91 6.799 1.010 5.723 1.00 1.00 H new ATOM 0 HD13 LEU A 91 5.960 -0.021 6.906 1.00 1.00 H new ATOM 0 HD21 LEU A 91 4.942 -2.069 4.778 1.00 1.00 H new ATOM 0 HD22 LEU A 91 3.877 -1.414 6.045 1.00 1.00 H new ATOM 0 HD23 LEU A 91 3.431 -1.243 4.331 1.00 1.00 H new ATOM 440 N GLY A 92 1.192 3.075 4.633 1.00 1.00 N ATOM 441 CA GLY A 92 -0.179 3.348 5.028 1.00 1.00 C ATOM 442 C GLY A 92 -0.714 4.596 4.325 1.00 1.00 C ATOM 443 O GLY A 92 0.048 5.344 3.714 1.00 1.00 O ATOM 0 H GLY A 92 1.721 3.895 4.334 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -0.808 2.492 4.785 1.00 1.00 H new ATOM 0 HA3 GLY A 92 -0.230 3.485 6.108 1.00 1.00 H new ATOM 447 N TYR A 93 -2.022 4.783 4.434 1.00 1.00 N ATOM 448 CA TYR A 93 -2.668 5.928 3.815 1.00 1.00 C ATOM 449 C TYR A 93 -3.592 6.637 4.807 1.00 1.00 C ATOM 450 O TYR A 93 -3.752 6.190 5.941 1.00 1.00 O ATOM 451 CB TYR A 93 -3.507 5.368 2.665 1.00 1.00 C ATOM 452 CG TYR A 93 -2.682 4.720 1.551 1.00 1.00 C ATOM 453 CD1 TYR A 93 -2.059 3.508 1.770 1.00 1.00 C ATOM 454 CD2 TYR A 93 -2.562 5.347 0.328 1.00 1.00 C ATOM 455 CE1 TYR A 93 -1.283 2.898 0.722 1.00 1.00 C ATOM 456 CE2 TYR A 93 -1.786 4.736 -0.720 1.00 1.00 C ATOM 457 CZ TYR A 93 -1.185 3.542 -0.472 1.00 1.00 C ATOM 458 OH TYR A 93 -0.452 2.966 -1.462 1.00 1.00 O ATOM 0 H TYR A 93 -2.651 4.161 4.942 1.00 1.00 H new ATOM 0 HA TYR A 93 -1.926 6.652 3.477 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -4.204 4.630 3.063 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -4.105 6.174 2.239 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -2.154 3.017 2.727 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -3.050 6.295 0.157 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -0.790 1.950 0.880 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -1.684 5.216 -1.682 1.00 1.00 H new ATOM 0 HH TYR A 93 -0.094 3.662 -2.051 1.00 1.00 H new ATOM 468 N ASN A 94 -4.176 7.733 4.343 1.00 1.00 N ATOM 469 CA ASN A 94 -5.080 8.508 5.175 1.00 1.00 C ATOM 470 C ASN A 94 -6.441 7.812 5.229 1.00 1.00 C ATOM 471 O ASN A 94 -6.718 6.919 4.428 1.00 1.00 O ATOM 472 CB ASN A 94 -5.289 9.911 4.601 1.00 1.00 C ATOM 473 CG ASN A 94 -4.930 10.984 5.632 1.00 1.00 C ATOM 474 OD1 ASN A 94 -5.642 11.220 6.594 1.00 1.00 O ATOM 475 ND2 ASN A 94 -3.789 11.618 5.377 1.00 1.00 N ATOM 0 H ASN A 94 -4.040 8.102 3.402 1.00 1.00 H new ATOM 0 HA ASN A 94 -4.640 8.586 6.169 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -4.675 10.038 3.709 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -6.328 10.031 4.293 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -3.462 12.352 6.005 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -3.241 11.370 4.553 1.00 1.00 H new ATOM 482 N HIS A 95 -7.255 8.246 6.180 1.00 1.00 N ATOM 483 CA HIS A 95 -8.581 7.675 6.348 1.00 1.00 C ATOM 484 C HIS A 95 -9.592 8.473 5.523 1.00 1.00 C ATOM 485 O HIS A 95 -10.698 8.747 5.986 1.00 1.00 O ATOM 486 CB HIS A 95 -8.955 7.597 7.830 1.00 1.00 C ATOM 487 CG HIS A 95 -9.999 6.553 8.146 1.00 1.00 C ATOM 488 ND1 HIS A 95 -11.342 6.724 7.858 1.00 1.00 N ATOM 489 CD2 HIS A 95 -9.883 5.324 8.726 1.00 1.00 C ATOM 490 CE1 HIS A 95 -11.995 5.642 8.252 1.00 1.00 C ATOM 491 NE2 HIS A 95 -11.090 4.775 8.790 1.00 1.00 N ATOM 0 H HIS A 95 -7.022 8.986 6.842 1.00 1.00 H new ATOM 0 HA HIS A 95 -8.589 6.650 5.976 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -8.057 7.385 8.410 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -9.321 8.571 8.154 1.00 1.00 H new ATOM 0 HD1 HIS A 95 -11.758 7.544 7.417 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -8.965 4.874 9.074 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -13.058 5.475 8.163 1.00 1.00 H new ATOM 499 N ASN A 96 -9.177 8.823 4.315 1.00 1.00 N ATOM 500 CA ASN A 96 -10.032 9.585 3.421 1.00 1.00 C ATOM 501 C ASN A 96 -9.414 9.602 2.021 1.00 1.00 C ATOM 502 O ASN A 96 -10.071 9.248 1.044 1.00 1.00 O ATOM 503 CB ASN A 96 -10.172 11.033 3.893 1.00 1.00 C ATOM 504 CG ASN A 96 -8.824 11.595 4.347 1.00 1.00 C ATOM 505 OD1 ASN A 96 -8.093 12.213 3.590 1.00 1.00 O ATOM 506 ND2 ASN A 96 -8.535 11.346 5.621 1.00 1.00 N ATOM 0 H ASN A 96 -8.259 8.593 3.934 1.00 1.00 H new ATOM 0 HA ASN A 96 -11.014 9.112 3.411 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -10.572 11.646 3.085 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -10.886 11.084 4.715 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -7.657 11.679 6.019 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -9.192 10.823 6.200 1.00 1.00 H new ATOM 513 N GLY A 97 -8.156 10.017 1.970 1.00 1.00 N ATOM 514 CA GLY A 97 -7.442 10.085 0.706 1.00 1.00 C ATOM 515 C GLY A 97 -6.877 11.487 0.471 1.00 1.00 C ATOM 516 O GLY A 97 -7.160 12.111 -0.550 1.00 1.00 O ATOM 0 H GLY A 97 -7.614 10.309 2.783 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -6.631 9.357 0.703 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -8.113 9.818 -0.110 1.00 1.00 H new ATOM 520 N GLU A 98 -6.087 11.941 1.433 1.00 1.00 N ATOM 521 CA GLU A 98 -5.479 13.258 1.343 1.00 1.00 C ATOM 522 C GLU A 98 -3.954 13.141 1.370 1.00 1.00 C ATOM 523 O GLU A 98 -3.266 13.744 0.547 1.00 1.00 O ATOM 524 CB GLU A 98 -5.979 14.170 2.464 1.00 1.00 C ATOM 525 CG GLU A 98 -5.185 13.943 3.752 1.00 1.00 C ATOM 526 CD GLU A 98 -5.691 14.850 4.876 1.00 1.00 C ATOM 527 OE1 GLU A 98 -6.910 15.129 4.875 1.00 1.00 O ATOM 528 OE2 GLU A 98 -4.848 15.244 5.710 1.00 1.00 O ATOM 0 H GLU A 98 -5.854 11.420 2.279 1.00 1.00 H new ATOM 0 HA GLU A 98 -5.773 13.709 0.395 1.00 1.00 H new ATOM 0 HB2 GLU A 98 -5.890 15.212 2.157 1.00 1.00 H new ATOM 0 HB3 GLU A 98 -7.037 13.981 2.647 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -5.269 12.900 4.056 1.00 1.00 H new ATOM 0 HG3 GLU A 98 -4.128 14.138 3.571 1.00 1.00 H new ATOM 535 N TRP A 99 -3.468 12.362 2.326 1.00 1.00 N ATOM 536 CA TRP A 99 -2.037 12.159 2.471 1.00 1.00 C ATOM 537 C TRP A 99 -1.787 10.659 2.639 1.00 1.00 C ATOM 538 O TRP A 99 -2.731 9.875 2.734 1.00 1.00 O ATOM 539 CB TRP A 99 -1.480 12.991 3.628 1.00 1.00 C ATOM 540 CG TRP A 99 -1.160 14.439 3.255 1.00 1.00 C ATOM 541 CD1 TRP A 99 -1.947 15.322 2.625 1.00 1.00 C ATOM 542 CD2 TRP A 99 0.073 15.142 3.517 1.00 1.00 C ATOM 543 NE1 TRP A 99 -1.314 16.538 2.462 1.00 1.00 N ATOM 544 CE2 TRP A 99 -0.046 16.425 3.022 1.00 1.00 C ATOM 545 CE3 TRP A 99 1.250 14.709 4.152 1.00 1.00 C ATOM 546 CZ2 TRP A 99 0.975 17.379 3.109 1.00 1.00 C ATOM 547 CZ3 TRP A 99 2.261 15.674 4.231 1.00 1.00 C ATOM 548 CH2 TRP A 99 2.157 16.969 3.738 1.00 1.00 C ATOM 0 H TRP A 99 -4.041 11.864 3.008 1.00 1.00 H new ATOM 0 HA TRP A 99 -1.507 12.503 1.583 1.00 1.00 H new ATOM 0 HB2 TRP A 99 -2.202 12.988 4.445 1.00 1.00 H new ATOM 0 HB3 TRP A 99 -0.574 12.514 4.002 1.00 1.00 H new ATOM 0 HD1 TRP A 99 -2.950 15.109 2.287 1.00 1.00 H new ATOM 0 HE1 TRP A 99 -1.704 17.367 2.013 1.00 1.00 H new ATOM 0 HE3 TRP A 99 1.365 13.711 4.548 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 0.857 18.377 2.713 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 3.187 15.392 4.709 1.00 1.00 H new ATOM 0 HH2 TRP A 99 2.984 17.656 3.839 1.00 1.00 H new ATOM 559 N CYS A 100 -0.511 10.304 2.670 1.00 1.00 N ATOM 560 CA CYS A 100 -0.125 8.911 2.825 1.00 1.00 C ATOM 561 C CYS A 100 1.008 8.838 3.849 1.00 1.00 C ATOM 562 O CYS A 100 1.969 9.603 3.774 1.00 1.00 O ATOM 563 CB CYS A 100 0.273 8.283 1.487 1.00 1.00 C ATOM 564 SG CYS A 100 -1.036 8.579 0.243 1.00 1.00 S ATOM 0 H CYS A 100 0.269 10.956 2.590 1.00 1.00 H new ATOM 0 HA CYS A 100 -0.976 8.332 3.185 1.00 1.00 H new ATOM 0 HB2 CYS A 100 1.216 8.708 1.143 1.00 1.00 H new ATOM 0 HB3 CYS A 100 0.432 7.212 1.612 1.00 1.00 H new ATOM 0 HG CYS A 100 -1.652 7.463 -0.013 1.00 1.00 H new ATOM 570 N GLU A 101 0.860 7.910 4.784 1.00 1.00 N ATOM 571 CA GLU A 101 1.859 7.727 5.822 1.00 1.00 C ATOM 572 C GLU A 101 2.979 6.810 5.326 1.00 1.00 C ATOM 573 O GLU A 101 2.751 5.950 4.477 1.00 1.00 O ATOM 574 CB GLU A 101 1.226 7.175 7.101 1.00 1.00 C ATOM 575 CG GLU A 101 2.235 7.161 8.251 1.00 1.00 C ATOM 576 CD GLU A 101 1.554 7.480 9.583 1.00 1.00 C ATOM 577 OE1 GLU A 101 0.538 8.206 9.541 1.00 1.00 O ATOM 578 OE2 GLU A 101 2.065 6.991 10.613 1.00 1.00 O ATOM 0 H GLU A 101 0.062 7.277 4.844 1.00 1.00 H new ATOM 0 HA GLU A 101 2.290 8.700 6.059 1.00 1.00 H new ATOM 0 HB2 GLU A 101 0.364 7.783 7.376 1.00 1.00 H new ATOM 0 HB3 GLU A 101 0.859 6.164 6.922 1.00 1.00 H new ATOM 0 HG2 GLU A 101 2.713 6.183 8.308 1.00 1.00 H new ATOM 0 HG3 GLU A 101 3.022 7.890 8.057 1.00 1.00 H new ATOM 585 N ALA A 102 4.165 7.027 5.875 1.00 1.00 N ATOM 586 CA ALA A 102 5.321 6.231 5.499 1.00 1.00 C ATOM 587 C ALA A 102 6.085 5.821 6.759 1.00 1.00 C ATOM 588 O ALA A 102 5.783 6.294 7.854 1.00 1.00 O ATOM 589 CB ALA A 102 6.191 7.024 4.522 1.00 1.00 C ATOM 0 H ALA A 102 4.350 7.743 6.578 1.00 1.00 H new ATOM 0 HA ALA A 102 5.009 5.318 4.991 1.00 1.00 H new ATOM 0 HB1 ALA A 102 7.058 6.427 4.240 1.00 1.00 H new ATOM 0 HB2 ALA A 102 5.611 7.265 3.631 1.00 1.00 H new ATOM 0 HB3 ALA A 102 6.525 7.946 4.998 1.00 1.00 H new ATOM 595 N GLN A 103 7.060 4.945 6.563 1.00 1.00 N ATOM 596 CA GLN A 103 7.869 4.466 7.671 1.00 1.00 C ATOM 597 C GLN A 103 9.253 5.117 7.637 1.00 1.00 C ATOM 598 O GLN A 103 9.873 5.212 6.578 1.00 1.00 O ATOM 599 CB GLN A 103 7.980 2.940 7.649 1.00 1.00 C ATOM 600 CG GLN A 103 6.746 2.292 8.279 1.00 1.00 C ATOM 601 CD GLN A 103 6.976 0.799 8.526 1.00 1.00 C ATOM 602 OE1 GLN A 103 7.906 0.196 8.017 1.00 1.00 O ATOM 603 NE2 GLN A 103 6.078 0.240 9.332 1.00 1.00 N ATOM 0 H GLN A 103 7.308 4.555 5.654 1.00 1.00 H new ATOM 0 HA GLN A 103 7.379 4.748 8.603 1.00 1.00 H new ATOM 0 HB2 GLN A 103 8.092 2.595 6.621 1.00 1.00 H new ATOM 0 HB3 GLN A 103 8.874 2.629 8.189 1.00 1.00 H new ATOM 0 HG2 GLN A 103 6.511 2.788 9.221 1.00 1.00 H new ATOM 0 HG3 GLN A 103 5.885 2.428 7.624 1.00 1.00 H new ATOM 0 HE21 GLN A 103 5.324 0.804 9.724 1.00 1.00 H new ATOM 0 HE22 GLN A 103 6.143 -0.752 9.558 1.00 1.00 H new ATOM 612 N THR A 104 9.698 5.549 8.808 1.00 1.00 N ATOM 613 CA THR A 104 10.998 6.188 8.925 1.00 1.00 C ATOM 614 C THR A 104 12.011 5.225 9.547 1.00 1.00 C ATOM 615 O THR A 104 11.661 4.109 9.926 1.00 1.00 O ATOM 616 CB THR A 104 10.818 7.481 9.724 1.00 1.00 C ATOM 617 OG1 THR A 104 9.810 7.162 10.679 1.00 1.00 O ATOM 618 CG2 THR A 104 10.199 8.604 8.889 1.00 1.00 C ATOM 0 H THR A 104 9.182 5.469 9.684 1.00 1.00 H new ATOM 0 HA THR A 104 11.402 6.447 7.946 1.00 1.00 H new ATOM 0 HB THR A 104 11.784 7.806 10.110 1.00 1.00 H new ATOM 0 HG1 THR A 104 9.278 7.962 10.872 1.00 1.00 H new ATOM 0 HG21 THR A 104 10.093 9.498 9.503 1.00 1.00 H new ATOM 0 HG22 THR A 104 10.844 8.823 8.038 1.00 1.00 H new ATOM 0 HG23 THR A 104 9.218 8.292 8.530 1.00 1.00 H new ATOM 626 N LYS A 105 13.248 5.693 9.633 1.00 1.00 N ATOM 627 CA LYS A 105 14.315 4.887 10.202 1.00 1.00 C ATOM 628 C LYS A 105 13.732 3.957 11.268 1.00 1.00 C ATOM 629 O LYS A 105 13.924 2.743 11.209 1.00 1.00 O ATOM 630 CB LYS A 105 15.444 5.781 10.718 1.00 1.00 C ATOM 631 CG LYS A 105 14.891 6.936 11.556 1.00 1.00 C ATOM 632 CD LYS A 105 15.181 6.722 13.043 1.00 1.00 C ATOM 633 CE LYS A 105 16.577 7.231 13.408 1.00 1.00 C ATOM 634 NZ LYS A 105 16.755 7.246 14.877 1.00 1.00 N ATOM 0 H LYS A 105 13.535 6.620 9.318 1.00 1.00 H new ATOM 0 HA LYS A 105 14.764 4.254 9.437 1.00 1.00 H new ATOM 0 HB2 LYS A 105 16.135 5.190 11.319 1.00 1.00 H new ATOM 0 HB3 LYS A 105 16.012 6.177 9.876 1.00 1.00 H new ATOM 0 HG2 LYS A 105 15.336 7.875 11.226 1.00 1.00 H new ATOM 0 HG3 LYS A 105 13.816 7.021 11.400 1.00 1.00 H new ATOM 0 HD2 LYS A 105 14.433 7.241 13.642 1.00 1.00 H new ATOM 0 HD3 LYS A 105 15.102 5.662 13.284 1.00 1.00 H new ATOM 0 HE2 LYS A 105 17.334 6.594 12.950 1.00 1.00 H new ATOM 0 HE3 LYS A 105 16.721 8.235 13.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 17.708 7.594 15.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 16.044 7.872 15.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 16.639 6.282 15.251 1.00 1.00 H new ATOM 648 N ASN A 106 13.032 4.561 12.217 1.00 1.00 N ATOM 649 CA ASN A 106 12.420 3.802 13.294 1.00 1.00 C ATOM 650 C ASN A 106 11.155 4.522 13.765 1.00 1.00 C ATOM 651 O ASN A 106 11.042 4.884 14.935 1.00 1.00 O ATOM 652 CB ASN A 106 13.368 3.680 14.489 1.00 1.00 C ATOM 653 CG ASN A 106 14.248 2.434 14.366 1.00 1.00 C ATOM 654 OD1 ASN A 106 13.779 1.330 14.144 1.00 1.00 O ATOM 655 ND2 ASN A 106 15.547 2.673 14.522 1.00 1.00 N ATOM 0 H ASN A 106 12.875 5.568 12.262 1.00 1.00 H new ATOM 0 HA ASN A 106 12.187 2.807 12.915 1.00 1.00 H new ATOM 0 HB2 ASN A 106 13.996 4.569 14.552 1.00 1.00 H new ATOM 0 HB3 ASN A 106 12.791 3.632 15.412 1.00 1.00 H new ATOM 0 HD21 ASN A 106 16.218 1.907 14.458 1.00 1.00 H new ATOM 0 HD22 ASN A 106 15.872 3.622 14.706 1.00 1.00 H new ATOM 662 N GLY A 107 10.236 4.708 12.830 1.00 1.00 N ATOM 663 CA GLY A 107 8.983 5.378 13.135 1.00 1.00 C ATOM 664 C GLY A 107 8.104 5.492 11.887 1.00 1.00 C ATOM 665 O GLY A 107 7.981 4.537 11.121 1.00 1.00 O ATOM 0 H GLY A 107 10.334 4.407 11.860 1.00 1.00 H new ATOM 0 HA2 GLY A 107 8.451 4.826 13.910 1.00 1.00 H new ATOM 0 HA3 GLY A 107 9.186 6.372 13.534 1.00 1.00 H new ATOM 669 N GLN A 108 7.516 6.668 11.722 1.00 1.00 N ATOM 670 CA GLN A 108 6.652 6.918 10.581 1.00 1.00 C ATOM 671 C GLN A 108 7.002 8.260 9.935 1.00 1.00 C ATOM 672 O GLN A 108 8.027 8.860 10.258 1.00 1.00 O ATOM 673 CB GLN A 108 5.178 6.874 10.989 1.00 1.00 C ATOM 674 CG GLN A 108 4.548 5.528 10.625 1.00 1.00 C ATOM 675 CD GLN A 108 3.522 5.101 11.677 1.00 1.00 C ATOM 676 OE1 GLN A 108 3.278 5.785 12.657 1.00 1.00 O ATOM 677 NE2 GLN A 108 2.936 3.935 11.418 1.00 1.00 N ATOM 0 H GLN A 108 7.621 7.458 12.359 1.00 1.00 H new ATOM 0 HA GLN A 108 6.815 6.129 9.847 1.00 1.00 H new ATOM 0 HB2 GLN A 108 5.089 7.043 12.062 1.00 1.00 H new ATOM 0 HB3 GLN A 108 4.636 7.679 10.493 1.00 1.00 H new ATOM 0 HG2 GLN A 108 4.066 5.600 9.650 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.326 4.769 10.541 1.00 1.00 H new ATOM 0 HE21 GLN A 108 3.187 3.413 10.578 1.00 1.00 H new ATOM 0 HE22 GLN A 108 2.235 3.563 12.059 1.00 1.00 H new ATOM 686 N GLY A 109 6.132 8.693 9.035 1.00 1.00 N ATOM 687 CA GLY A 109 6.336 9.953 8.341 1.00 1.00 C ATOM 688 C GLY A 109 5.156 10.269 7.420 1.00 1.00 C ATOM 689 O GLY A 109 4.753 9.434 6.612 1.00 1.00 O ATOM 0 H GLY A 109 5.283 8.193 8.770 1.00 1.00 H new ATOM 0 HA2 GLY A 109 6.460 10.756 9.067 1.00 1.00 H new ATOM 0 HA3 GLY A 109 7.255 9.906 7.757 1.00 1.00 H new ATOM 693 N TRP A 110 4.636 11.478 7.572 1.00 1.00 N ATOM 694 CA TRP A 110 3.510 11.915 6.764 1.00 1.00 C ATOM 695 C TRP A 110 4.064 12.641 5.536 1.00 1.00 C ATOM 696 O TRP A 110 4.897 13.537 5.663 1.00 1.00 O ATOM 697 CB TRP A 110 2.548 12.777 7.584 1.00 1.00 C ATOM 698 CG TRP A 110 1.443 11.982 8.283 1.00 1.00 C ATOM 699 CD1 TRP A 110 1.318 11.716 9.590 1.00 1.00 C ATOM 700 CD2 TRP A 110 0.304 11.357 7.653 1.00 1.00 C ATOM 701 NE1 TRP A 110 0.187 10.968 9.848 1.00 1.00 N ATOM 702 CE2 TRP A 110 -0.449 10.743 8.633 1.00 1.00 C ATOM 703 CE3 TRP A 110 -0.077 11.313 6.301 1.00 1.00 C ATOM 704 CZ2 TRP A 110 -1.630 10.040 8.365 1.00 1.00 C ATOM 705 CZ3 TRP A 110 -1.259 10.606 6.049 1.00 1.00 C ATOM 706 CH2 TRP A 110 -2.029 9.983 7.024 1.00 1.00 C ATOM 0 H TRP A 110 4.973 12.169 8.243 1.00 1.00 H new ATOM 0 HA TRP A 110 2.921 11.061 6.429 1.00 1.00 H new ATOM 0 HB2 TRP A 110 3.117 13.326 8.334 1.00 1.00 H new ATOM 0 HB3 TRP A 110 2.090 13.517 6.928 1.00 1.00 H new ATOM 0 HD1 TRP A 110 2.015 12.045 10.347 1.00 1.00 H new ATOM 0 HE1 TRP A 110 -0.125 10.641 10.762 1.00 1.00 H new ATOM 0 HE3 TRP A 110 0.497 11.787 5.518 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 -2.202 9.567 9.150 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 -1.596 10.540 5.025 1.00 1.00 H new ATOM 0 HH2 TRP A 110 -2.931 9.457 6.749 1.00 1.00 H new ATOM 717 N VAL A 111 3.578 12.228 4.375 1.00 1.00 N ATOM 718 CA VAL A 111 4.013 12.828 3.125 1.00 1.00 C ATOM 719 C VAL A 111 2.986 12.523 2.033 1.00 1.00 C ATOM 720 O VAL A 111 2.431 11.426 1.986 1.00 1.00 O ATOM 721 CB VAL A 111 5.421 12.342 2.774 1.00 1.00 C ATOM 722 CG1 VAL A 111 5.476 10.814 2.720 1.00 1.00 C ATOM 723 CG2 VAL A 111 5.900 12.955 1.457 1.00 1.00 C ATOM 0 H VAL A 111 2.887 11.485 4.273 1.00 1.00 H new ATOM 0 HA VAL A 111 4.072 13.912 3.222 1.00 1.00 H new ATOM 0 HB VAL A 111 6.096 12.674 3.563 1.00 1.00 H new ATOM 0 HG11 VAL A 111 6.488 10.495 2.469 1.00 1.00 H new ATOM 0 HG12 VAL A 111 5.197 10.405 3.691 1.00 1.00 H new ATOM 0 HG13 VAL A 111 4.782 10.452 1.961 1.00 1.00 H new ATOM 0 HG21 VAL A 111 6.903 12.593 1.231 1.00 1.00 H new ATOM 0 HG22 VAL A 111 5.221 12.668 0.654 1.00 1.00 H new ATOM 0 HG23 VAL A 111 5.918 14.041 1.546 1.00 1.00 H new ATOM 733 N PRO A 112 2.757 13.539 1.159 1.00 1.00 N ATOM 734 CA PRO A 112 1.807 13.391 0.070 1.00 1.00 C ATOM 735 C PRO A 112 2.382 12.515 -1.045 1.00 1.00 C ATOM 736 O PRO A 112 3.591 12.511 -1.274 1.00 1.00 O ATOM 737 CB PRO A 112 1.505 14.809 -0.385 1.00 1.00 C ATOM 738 CG PRO A 112 2.640 15.668 0.148 1.00 1.00 C ATOM 739 CD PRO A 112 3.396 14.852 1.184 1.00 1.00 C ATOM 0 HA PRO A 112 0.893 12.882 0.376 1.00 1.00 H new ATOM 0 HB2 PRO A 112 1.449 14.867 -1.472 1.00 1.00 H new ATOM 0 HB3 PRO A 112 0.544 15.147 0.002 1.00 1.00 H new ATOM 0 HG2 PRO A 112 3.305 15.967 -0.662 1.00 1.00 H new ATOM 0 HG3 PRO A 112 2.249 16.583 0.594 1.00 1.00 H new ATOM 0 HD2 PRO A 112 4.455 14.782 0.937 1.00 1.00 H new ATOM 0 HD3 PRO A 112 3.329 15.307 2.172 1.00 1.00 H new ATOM 747 N SER A 113 1.490 11.795 -1.709 1.00 1.00 N ATOM 748 CA SER A 113 1.894 10.918 -2.794 1.00 1.00 C ATOM 749 C SER A 113 2.458 11.743 -3.952 1.00 1.00 C ATOM 750 O SER A 113 3.060 11.196 -4.874 1.00 1.00 O ATOM 751 CB SER A 113 0.722 10.060 -3.275 1.00 1.00 C ATOM 752 OG SER A 113 0.812 8.719 -2.801 1.00 1.00 O ATOM 0 H SER A 113 0.488 11.801 -1.516 1.00 1.00 H new ATOM 0 HA SER A 113 2.670 10.249 -2.421 1.00 1.00 H new ATOM 0 HB2 SER A 113 -0.215 10.502 -2.935 1.00 1.00 H new ATOM 0 HB3 SER A 113 0.697 10.058 -4.365 1.00 1.00 H new ATOM 0 HG SER A 113 0.316 8.635 -1.960 1.00 1.00 H new ATOM 758 N ASN A 114 2.241 13.048 -3.867 1.00 1.00 N ATOM 759 CA ASN A 114 2.720 13.954 -4.897 1.00 1.00 C ATOM 760 C ASN A 114 4.248 14.025 -4.838 1.00 1.00 C ATOM 761 O ASN A 114 4.912 14.059 -5.872 1.00 1.00 O ATOM 762 CB ASN A 114 2.173 15.367 -4.685 1.00 1.00 C ATOM 763 CG ASN A 114 1.484 15.884 -5.949 1.00 1.00 C ATOM 764 OD1 ASN A 114 2.050 16.621 -6.739 1.00 1.00 O ATOM 765 ND2 ASN A 114 0.232 15.457 -6.096 1.00 1.00 N ATOM 0 H ASN A 114 1.740 13.499 -3.101 1.00 1.00 H new ATOM 0 HA ASN A 114 2.381 13.577 -5.862 1.00 1.00 H new ATOM 0 HB2 ASN A 114 1.466 15.366 -3.856 1.00 1.00 H new ATOM 0 HB3 ASN A 114 2.987 16.038 -4.410 1.00 1.00 H new ATOM 0 HD21 ASN A 114 -0.313 15.746 -6.908 1.00 1.00 H new ATOM 0 HD22 ASN A 114 -0.182 14.841 -5.397 1.00 1.00 H new ATOM 772 N TYR A 115 4.760 14.047 -3.616 1.00 1.00 N ATOM 773 CA TYR A 115 6.197 14.113 -3.408 1.00 1.00 C ATOM 774 C TYR A 115 6.785 12.717 -3.191 1.00 1.00 C ATOM 775 O TYR A 115 7.926 12.582 -2.753 1.00 1.00 O ATOM 776 CB TYR A 115 6.401 14.943 -2.139 1.00 1.00 C ATOM 777 CG TYR A 115 6.071 16.427 -2.306 1.00 1.00 C ATOM 778 CD1 TYR A 115 4.775 16.820 -2.573 1.00 1.00 C ATOM 779 CD2 TYR A 115 7.068 17.374 -2.189 1.00 1.00 C ATOM 780 CE1 TYR A 115 4.464 18.217 -2.731 1.00 1.00 C ATOM 781 CE2 TYR A 115 6.757 18.771 -2.346 1.00 1.00 C ATOM 782 CZ TYR A 115 5.470 19.124 -2.609 1.00 1.00 C ATOM 783 OH TYR A 115 5.176 20.443 -2.757 1.00 1.00 O ATOM 0 H TYR A 115 4.206 14.020 -2.760 1.00 1.00 H new ATOM 0 HA TYR A 115 6.691 14.548 -4.277 1.00 1.00 H new ATOM 0 HB2 TYR A 115 5.780 14.531 -1.344 1.00 1.00 H new ATOM 0 HB3 TYR A 115 7.438 14.846 -1.817 1.00 1.00 H new ATOM 0 HD1 TYR A 115 3.994 16.079 -2.663 1.00 1.00 H new ATOM 0 HD2 TYR A 115 8.082 17.067 -1.980 1.00 1.00 H new ATOM 0 HE1 TYR A 115 3.454 18.537 -2.942 1.00 1.00 H new ATOM 0 HE2 TYR A 115 7.528 19.522 -2.257 1.00 1.00 H new ATOM 0 HH TYR A 115 5.991 20.975 -2.643 1.00 1.00 H new ATOM 793 N ILE A 116 5.978 11.715 -3.507 1.00 1.00 N ATOM 794 CA ILE A 116 6.404 10.334 -3.352 1.00 1.00 C ATOM 795 C ILE A 116 6.202 9.591 -4.674 1.00 1.00 C ATOM 796 O ILE A 116 5.354 9.971 -5.481 1.00 1.00 O ATOM 797 CB ILE A 116 5.690 9.683 -2.166 1.00 1.00 C ATOM 798 CG1 ILE A 116 5.937 10.472 -0.878 1.00 1.00 C ATOM 799 CG2 ILE A 116 6.091 8.214 -2.024 1.00 1.00 C ATOM 800 CD1 ILE A 116 7.331 10.183 -0.317 1.00 1.00 C ATOM 0 H ILE A 116 5.032 11.832 -3.870 1.00 1.00 H new ATOM 0 HA ILE A 116 7.468 10.288 -3.119 1.00 1.00 H new ATOM 0 HB ILE A 116 4.617 9.706 -2.358 1.00 1.00 H new ATOM 0 HG12 ILE A 116 5.835 11.539 -1.076 1.00 1.00 H new ATOM 0 HG13 ILE A 116 5.181 10.211 -0.137 1.00 1.00 H new ATOM 0 HG21 ILE A 116 5.569 7.775 -1.174 1.00 1.00 H new ATOM 0 HG22 ILE A 116 5.823 7.674 -2.932 1.00 1.00 H new ATOM 0 HG23 ILE A 116 7.167 8.144 -1.865 1.00 1.00 H new ATOM 0 HD11 ILE A 116 7.481 10.756 0.598 1.00 1.00 H new ATOM 0 HD12 ILE A 116 7.422 9.119 -0.098 1.00 1.00 H new ATOM 0 HD13 ILE A 116 8.085 10.468 -1.051 1.00 1.00 H new ATOM 812 N THR A 117 6.996 8.546 -4.856 1.00 1.00 N ATOM 813 CA THR A 117 6.915 7.746 -6.066 1.00 1.00 C ATOM 814 C THR A 117 6.904 6.256 -5.721 1.00 1.00 C ATOM 815 O THR A 117 7.641 5.814 -4.841 1.00 1.00 O ATOM 816 CB THR A 117 8.074 8.151 -6.979 1.00 1.00 C ATOM 817 OG1 THR A 117 8.378 6.961 -7.702 1.00 1.00 O ATOM 818 CG2 THR A 117 9.356 8.450 -6.199 1.00 1.00 C ATOM 0 H THR A 117 7.699 8.235 -4.185 1.00 1.00 H new ATOM 0 HA THR A 117 5.983 7.930 -6.600 1.00 1.00 H new ATOM 0 HB THR A 117 7.789 9.028 -7.560 1.00 1.00 H new ATOM 0 HG1 THR A 117 9.119 7.134 -8.320 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.147 8.732 -6.894 1.00 1.00 H new ATOM 0 HG22 THR A 117 9.175 9.269 -5.502 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.660 7.562 -5.644 1.00 1.00 H new ATOM 826 N PRO A 118 6.039 5.503 -6.452 1.00 1.00 N ATOM 827 CA PRO A 118 5.923 4.071 -6.232 1.00 1.00 C ATOM 828 C PRO A 118 7.122 3.327 -6.822 1.00 1.00 C ATOM 829 O PRO A 118 7.977 3.932 -7.466 1.00 1.00 O ATOM 830 CB PRO A 118 4.604 3.680 -6.878 1.00 1.00 C ATOM 831 CG PRO A 118 4.257 4.809 -7.834 1.00 1.00 C ATOM 832 CD PRO A 118 5.151 5.992 -7.502 1.00 1.00 C ATOM 0 HA PRO A 118 5.928 3.806 -5.175 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.695 2.733 -7.409 1.00 1.00 H new ATOM 0 HB3 PRO A 118 3.825 3.551 -6.127 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.408 4.495 -8.867 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.207 5.084 -7.735 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.714 6.320 -8.376 1.00 1.00 H new ATOM 0 HD3 PRO A 118 4.567 6.846 -7.160 1.00 1.00 H new ATOM 840 N VAL A 119 7.147 2.025 -6.580 1.00 1.00 N ATOM 841 CA VAL A 119 8.228 1.191 -7.079 1.00 1.00 C ATOM 842 C VAL A 119 7.674 0.212 -8.116 1.00 1.00 C ATOM 843 O VAL A 119 8.399 -0.649 -8.612 1.00 1.00 O ATOM 844 CB VAL A 119 8.932 0.493 -5.914 1.00 1.00 C ATOM 845 CG1 VAL A 119 9.989 -0.489 -6.421 1.00 1.00 C ATOM 846 CG2 VAL A 119 9.546 1.513 -4.954 1.00 1.00 C ATOM 0 H VAL A 119 6.436 1.526 -6.045 1.00 1.00 H new ATOM 0 HA VAL A 119 8.981 1.801 -7.577 1.00 1.00 H new ATOM 0 HB VAL A 119 8.183 -0.076 -5.363 1.00 1.00 H new ATOM 0 HG11 VAL A 119 10.474 -0.971 -5.573 1.00 1.00 H new ATOM 0 HG12 VAL A 119 9.513 -1.245 -7.045 1.00 1.00 H new ATOM 0 HG13 VAL A 119 10.734 0.049 -7.007 1.00 1.00 H new ATOM 0 HG21 VAL A 119 10.040 0.990 -4.135 1.00 1.00 H new ATOM 0 HG22 VAL A 119 10.275 2.122 -5.488 1.00 1.00 H new ATOM 0 HG23 VAL A 119 8.761 2.154 -4.554 1.00 1.00 H new ATOM 856 N SER A 120 6.393 0.377 -8.413 1.00 1.00 N ATOM 857 CA SER A 120 5.733 -0.482 -9.382 1.00 1.00 C ATOM 858 C SER A 120 4.850 0.356 -10.308 1.00 1.00 C ATOM 859 O SER A 120 5.023 0.216 -11.538 1.00 1.00 O ATOM 860 CB SER A 120 4.900 -1.559 -8.686 1.00 1.00 C ATOM 861 OG SER A 120 3.976 -2.178 -9.577 1.00 1.00 O ATOM 862 OXT SER A 120 4.013 1.128 -9.843 1.00 1.00 O ATOM 0 H SER A 120 5.795 1.092 -8.000 1.00 1.00 H new ATOM 0 HA SER A 120 6.500 -0.981 -9.975 1.00 1.00 H new ATOM 0 HB2 SER A 120 5.563 -2.316 -8.268 1.00 1.00 H new ATOM 0 HB3 SER A 120 4.357 -1.115 -7.852 1.00 1.00 H new ATOM 0 HG SER A 120 3.464 -2.861 -9.095 1.00 1.00 H new TER 868 SER A 120