USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 35 TYR OH : rot 180:sc= 0.00247 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 169:sc= 0.0815 (180deg=-0.281!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0935 X(o=-0.094,f=-0.068) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 1.29 (180deg=0.425) USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= -0.0441 (180deg=-0.772) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0597 (180deg=-0.335) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -80:sc= -0.0265 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -2.36! (180deg=-2.82!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.3) USER MOD Single : A 69 TYR OH : rot -153:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.747 5.161 0.770 1.00 0.00 N ATOM 67 CA ASP A 8 3.142 4.736 0.764 1.00 0.00 C ATOM 68 C ASP A 8 3.247 3.214 0.780 1.00 0.00 C ATOM 69 O ASP A 8 3.011 2.577 1.806 1.00 0.00 O ATOM 70 CB ASP A 8 3.882 5.323 1.967 1.00 0.00 C ATOM 71 CG ASP A 8 3.722 6.828 2.067 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.493 7.471 1.021 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.825 7.362 3.191 1.00 0.00 O ATOM 0 HA ASP A 8 3.604 5.105 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.510 4.859 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.941 5.077 1.894 1.00 0.00 H new ATOM 78 N TYR A 9 3.600 2.639 -0.364 1.00 0.00 N ATOM 79 CA TYR A 9 3.732 1.192 -0.483 1.00 0.00 C ATOM 80 C TYR A 9 4.574 0.626 0.657 1.00 0.00 C ATOM 81 O TYR A 9 4.320 -0.476 1.144 1.00 0.00 O ATOM 82 CB TYR A 9 4.363 0.825 -1.827 1.00 0.00 C ATOM 83 CG TYR A 9 3.515 1.211 -3.019 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.137 1.037 -3.002 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.094 1.751 -4.161 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.360 1.388 -4.089 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.324 2.106 -5.252 1.00 0.00 C ATOM 88 CZ TYR A 9 1.957 1.922 -5.211 1.00 0.00 C ATOM 89 OH TYR A 9 1.186 2.274 -6.295 1.00 0.00 O ATOM 0 H TYR A 9 3.800 3.153 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 9 2.735 0.756 -0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.334 1.314 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.544 -0.250 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.665 0.620 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.164 1.896 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.290 1.245 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.789 2.525 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 9 1.761 2.636 -7.002 1.00 0.00 H new ATOM 99 N TYR A 10 5.576 1.390 1.078 1.00 0.00 N ATOM 100 CA TYR A 10 6.458 0.966 2.160 1.00 0.00 C ATOM 101 C TYR A 10 5.658 0.635 3.416 1.00 0.00 C ATOM 102 O TYR A 10 6.026 -0.256 4.182 1.00 0.00 O ATOM 103 CB TYR A 10 7.483 2.058 2.468 1.00 0.00 C ATOM 104 CG TYR A 10 8.387 2.386 1.301 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.145 1.398 0.685 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.482 3.684 0.814 1.00 0.00 C ATOM 107 CE1 TYR A 10 9.973 1.694 -0.381 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.306 3.988 -0.252 1.00 0.00 C ATOM 109 CZ TYR A 10 10.050 2.990 -0.846 1.00 0.00 C ATOM 110 OH TYR A 10 10.872 3.288 -1.909 1.00 0.00 O ATOM 0 H TYR A 10 5.798 2.306 0.687 1.00 0.00 H new ATOM 0 HA TYR A 10 6.982 0.066 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.957 2.962 2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.095 1.743 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.086 0.382 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.902 4.468 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.557 0.914 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.367 5.002 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 10 10.810 4.245 -2.113 1.00 0.00 H new ATOM 120 N GLN A 11 4.562 1.358 3.620 1.00 0.00 N ATOM 121 CA GLN A 11 3.709 1.142 4.783 1.00 0.00 C ATOM 122 C GLN A 11 2.833 -0.092 4.594 1.00 0.00 C ATOM 123 O GLN A 11 2.658 -0.888 5.517 1.00 0.00 O ATOM 124 CB GLN A 11 2.833 2.370 5.035 1.00 0.00 C ATOM 125 CG GLN A 11 3.486 3.410 5.931 1.00 0.00 C ATOM 126 CD GLN A 11 3.559 2.969 7.380 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.572 3.040 8.112 1.00 0.00 O ATOM 128 NE2 GLN A 11 4.731 2.510 7.801 1.00 0.00 N ATOM 0 H GLN A 11 4.243 2.099 2.995 1.00 0.00 H new ATOM 0 HA GLN A 11 4.352 0.980 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.584 2.831 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.895 2.050 5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.492 3.617 5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.926 4.343 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.523 2.469 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.840 2.198 8.766 1.00 0.00 H new ATOM 137 N ILE A 12 2.286 -0.244 3.393 1.00 0.00 N ATOM 138 CA ILE A 12 1.429 -1.382 3.084 1.00 0.00 C ATOM 139 C ILE A 12 2.162 -2.700 3.309 1.00 0.00 C ATOM 140 O ILE A 12 1.573 -3.681 3.766 1.00 0.00 O ATOM 141 CB ILE A 12 0.927 -1.329 1.629 1.00 0.00 C ATOM 142 CG1 ILE A 12 -0.003 -0.130 1.430 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.214 -2.624 1.267 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.226 0.227 -0.023 1.00 0.00 C ATOM 0 H ILE A 12 2.421 0.406 2.618 1.00 0.00 H new ATOM 0 HA ILE A 12 0.574 -1.325 3.758 1.00 0.00 H new ATOM 0 HB ILE A 12 1.786 -1.212 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.965 -0.346 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.415 0.733 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.135 -2.571 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.904 -3.461 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.638 -2.768 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.895 1.085 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.729 0.475 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.673 -0.621 -0.542 1.00 0.00 H new ATOM 156 N LEU A 13 3.451 -2.716 2.988 1.00 0.00 N ATOM 157 CA LEU A 13 4.267 -3.914 3.157 1.00 0.00 C ATOM 158 C LEU A 13 4.901 -3.948 4.544 1.00 0.00 C ATOM 159 O LEU A 13 4.967 -4.999 5.181 1.00 0.00 O ATOM 160 CB LEU A 13 5.355 -3.969 2.084 1.00 0.00 C ATOM 161 CG LEU A 13 4.901 -4.401 0.689 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.966 -4.071 -0.345 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.578 -5.887 0.669 1.00 0.00 C ATOM 0 H LEU A 13 3.954 -1.913 2.609 1.00 0.00 H new ATOM 0 HA LEU A 13 3.619 -4.784 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.811 -2.982 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.134 -4.654 2.419 1.00 0.00 H new ATOM 0 HG LEU A 13 3.995 -3.850 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.625 -4.386 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.148 -2.996 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.889 -4.594 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.257 -6.176 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.466 -6.456 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.779 -6.095 1.381 1.00 0.00 H new ATOM 175 N GLY A 14 5.366 -2.791 5.006 1.00 0.00 N ATOM 176 CA GLY A 14 5.988 -2.711 6.314 1.00 0.00 C ATOM 177 C GLY A 14 7.501 -2.756 6.241 1.00 0.00 C ATOM 178 O GLY A 14 8.151 -3.400 7.065 1.00 0.00 O ATOM 0 H GLY A 14 5.323 -1.908 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.678 -1.788 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.633 -3.535 6.933 1.00 0.00 H new ATOM 182 N VAL A 15 8.065 -2.072 5.251 1.00 0.00 N ATOM 183 CA VAL A 15 9.512 -2.037 5.073 1.00 0.00 C ATOM 184 C VAL A 15 10.014 -0.604 4.937 1.00 0.00 C ATOM 185 O VAL A 15 9.306 0.287 4.467 1.00 0.00 O ATOM 186 CB VAL A 15 9.944 -2.840 3.832 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.681 -4.324 4.038 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.226 -2.331 2.591 1.00 0.00 C ATOM 0 H VAL A 15 7.542 -1.534 4.560 1.00 0.00 H new ATOM 0 HA VAL A 15 9.952 -2.490 5.961 1.00 0.00 H new ATOM 0 HB VAL A 15 11.015 -2.702 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.993 -4.875 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.245 -4.677 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.617 -4.484 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.544 -2.910 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.149 -2.438 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.470 -1.280 2.435 1.00 0.00 H new ATOM 198 N PRO A 16 11.267 -0.374 5.357 1.00 0.00 N ATOM 199 CA PRO A 16 11.893 0.950 5.292 1.00 0.00 C ATOM 200 C PRO A 16 12.190 1.381 3.859 1.00 0.00 C ATOM 201 O PRO A 16 12.630 0.576 3.038 1.00 0.00 O ATOM 202 CB PRO A 16 13.195 0.765 6.075 1.00 0.00 C ATOM 203 CG PRO A 16 13.499 -0.689 5.967 1.00 0.00 C ATOM 204 CD PRO A 16 12.169 -1.389 5.928 1.00 0.00 C ATOM 0 HA PRO A 16 11.244 1.728 5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.999 1.370 5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.078 1.069 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.078 -0.901 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.093 -1.027 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.205 -2.287 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.848 -1.698 6.923 1.00 0.00 H new ATOM 212 N ARG A 17 11.946 2.654 3.567 1.00 0.00 N ATOM 213 CA ARG A 17 12.187 3.191 2.233 1.00 0.00 C ATOM 214 C ARG A 17 13.503 2.668 1.666 1.00 0.00 C ATOM 215 O ARG A 17 13.628 2.449 0.461 1.00 0.00 O ATOM 216 CB ARG A 17 12.208 4.720 2.272 1.00 0.00 C ATOM 217 CG ARG A 17 10.883 5.337 2.688 1.00 0.00 C ATOM 218 CD ARG A 17 10.959 6.856 2.714 1.00 0.00 C ATOM 219 NE ARG A 17 11.175 7.416 1.383 1.00 0.00 N ATOM 220 CZ ARG A 17 11.133 8.717 1.117 1.00 0.00 C ATOM 221 NH1 ARG A 17 10.885 9.587 2.086 1.00 0.00 N ATOM 222 NH2 ARG A 17 11.339 9.150 -0.120 1.00 0.00 N ATOM 0 H ARG A 17 11.582 3.333 4.236 1.00 0.00 H new ATOM 0 HA ARG A 17 11.375 2.862 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.984 5.047 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.481 5.096 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.101 5.023 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.603 4.969 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.036 7.258 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.769 7.167 3.374 1.00 0.00 H new ATOM 0 HE ARG A 17 11.369 6.773 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.726 9.258 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.853 10.585 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.530 8.484 -0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.306 10.149 -0.323 1.00 0.00 H new ATOM 236 N ASN A 18 14.483 2.469 2.542 1.00 0.00 N ATOM 237 CA ASN A 18 15.790 1.973 2.128 1.00 0.00 C ATOM 238 C ASN A 18 15.881 0.461 2.314 1.00 0.00 C ATOM 239 O ASN A 18 16.916 -0.063 2.724 1.00 0.00 O ATOM 240 CB ASN A 18 16.897 2.664 2.927 1.00 0.00 C ATOM 241 CG ASN A 18 17.003 4.143 2.609 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.422 4.980 3.299 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.747 4.470 1.559 1.00 0.00 N ATOM 0 H ASN A 18 14.396 2.644 3.543 1.00 0.00 H new ATOM 0 HA ASN A 18 15.919 2.200 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.705 2.537 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.850 2.180 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.855 5.449 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.211 3.742 1.016 1.00 0.00 H new ATOM 250 N ALA A 19 14.791 -0.234 2.008 1.00 0.00 N ATOM 251 CA ALA A 19 14.748 -1.685 2.138 1.00 0.00 C ATOM 252 C ALA A 19 15.513 -2.360 1.005 1.00 0.00 C ATOM 253 O ALA A 19 15.822 -1.734 -0.009 1.00 0.00 O ATOM 254 CB ALA A 19 13.307 -2.171 2.166 1.00 0.00 C ATOM 0 H ALA A 19 13.925 0.185 1.668 1.00 0.00 H new ATOM 0 HA ALA A 19 15.229 -1.955 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.291 -3.257 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.788 -1.723 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.808 -1.882 1.241 1.00 0.00 H new ATOM 260 N SER A 20 15.817 -3.642 1.183 1.00 0.00 N ATOM 261 CA SER A 20 16.550 -4.401 0.177 1.00 0.00 C ATOM 262 C SER A 20 15.611 -5.309 -0.610 1.00 0.00 C ATOM 263 O SER A 20 14.662 -5.865 -0.058 1.00 0.00 O ATOM 264 CB SER A 20 17.649 -5.236 0.838 1.00 0.00 C ATOM 265 OG SER A 20 18.822 -4.467 1.042 1.00 0.00 O ATOM 0 H SER A 20 15.567 -4.177 2.015 1.00 0.00 H new ATOM 0 HA SER A 20 17.007 -3.693 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.292 -5.621 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.880 -6.099 0.213 1.00 0.00 H new ATOM 0 HG SER A 20 19.508 -5.023 1.467 1.00 0.00 H new ATOM 271 N GLN A 21 15.883 -5.453 -1.903 1.00 0.00 N ATOM 272 CA GLN A 21 15.061 -6.292 -2.767 1.00 0.00 C ATOM 273 C GLN A 21 14.604 -7.548 -2.032 1.00 0.00 C ATOM 274 O GLN A 21 13.466 -7.991 -2.187 1.00 0.00 O ATOM 275 CB GLN A 21 15.839 -6.679 -4.027 1.00 0.00 C ATOM 276 CG GLN A 21 15.789 -5.625 -5.120 1.00 0.00 C ATOM 277 CD GLN A 21 14.392 -5.421 -5.671 1.00 0.00 C ATOM 278 OE1 GLN A 21 13.812 -6.325 -6.274 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.843 -4.229 -5.468 1.00 0.00 N ATOM 0 H GLN A 21 16.666 -5.000 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 21 14.179 -5.720 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.879 -6.864 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.439 -7.615 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.161 -4.680 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.456 -5.916 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.360 -3.509 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.905 -4.034 -5.817 1.00 0.00 H new ATOM 288 N LYS A 22 15.499 -8.117 -1.232 1.00 0.00 N ATOM 289 CA LYS A 22 15.188 -9.322 -0.471 1.00 0.00 C ATOM 290 C LYS A 22 14.058 -9.063 0.521 1.00 0.00 C ATOM 291 O LYS A 22 13.036 -9.747 0.502 1.00 0.00 O ATOM 292 CB LYS A 22 16.432 -9.814 0.274 1.00 0.00 C ATOM 293 CG LYS A 22 17.406 -10.577 -0.607 1.00 0.00 C ATOM 294 CD LYS A 22 18.761 -10.731 0.063 1.00 0.00 C ATOM 295 CE LYS A 22 18.809 -11.969 0.945 1.00 0.00 C ATOM 296 NZ LYS A 22 19.056 -13.206 0.152 1.00 0.00 N ATOM 0 H LYS A 22 16.446 -7.763 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 22 14.863 -10.091 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.945 -8.958 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.121 -10.456 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.998 -11.562 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.526 -10.054 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.539 -10.795 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.974 -9.847 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.595 -11.853 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.868 -12.066 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.082 -14.028 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.293 -13.331 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.966 -13.124 -0.344 1.00 0.00 H new ATOM 310 N GLU A 23 14.251 -8.070 1.384 1.00 0.00 N ATOM 311 CA GLU A 23 13.246 -7.722 2.382 1.00 0.00 C ATOM 312 C GLU A 23 11.929 -7.335 1.716 1.00 0.00 C ATOM 313 O GLU A 23 10.854 -7.739 2.162 1.00 0.00 O ATOM 314 CB GLU A 23 13.744 -6.571 3.259 1.00 0.00 C ATOM 315 CG GLU A 23 14.517 -7.030 4.485 1.00 0.00 C ATOM 316 CD GLU A 23 15.872 -7.615 4.135 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.799 -6.829 3.846 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.005 -8.856 4.150 1.00 0.00 O ATOM 0 H GLU A 23 15.092 -7.494 1.412 1.00 0.00 H new ATOM 0 HA GLU A 23 13.073 -8.598 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.381 -5.919 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.890 -5.975 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.653 -6.186 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.931 -7.776 5.021 1.00 0.00 H new ATOM 325 N ILE A 24 12.021 -6.550 0.648 1.00 0.00 N ATOM 326 CA ILE A 24 10.837 -6.109 -0.079 1.00 0.00 C ATOM 327 C ILE A 24 10.036 -7.298 -0.598 1.00 0.00 C ATOM 328 O ILE A 24 8.809 -7.323 -0.502 1.00 0.00 O ATOM 329 CB ILE A 24 11.212 -5.200 -1.265 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.840 -3.900 -0.761 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.985 -4.907 -2.116 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.544 -3.109 -1.842 1.00 0.00 C ATOM 0 H ILE A 24 12.903 -6.206 0.267 1.00 0.00 H new ATOM 0 HA ILE A 24 10.227 -5.543 0.625 1.00 0.00 H new ATOM 0 HB ILE A 24 11.944 -5.719 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.062 -3.279 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.553 -4.133 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.266 -4.264 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.577 -5.842 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.232 -4.405 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.965 -2.200 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.344 -3.712 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.830 -2.844 -2.622 1.00 0.00 H new ATOM 344 N LYS A 25 10.738 -8.284 -1.147 1.00 0.00 N ATOM 345 CA LYS A 25 10.094 -9.479 -1.678 1.00 0.00 C ATOM 346 C LYS A 25 9.543 -10.347 -0.551 1.00 0.00 C ATOM 347 O LYS A 25 8.368 -10.714 -0.554 1.00 0.00 O ATOM 348 CB LYS A 25 11.084 -10.286 -2.520 1.00 0.00 C ATOM 349 CG LYS A 25 10.440 -11.420 -3.297 1.00 0.00 C ATOM 350 CD LYS A 25 11.482 -12.324 -3.934 1.00 0.00 C ATOM 351 CE LYS A 25 11.916 -13.430 -2.984 1.00 0.00 C ATOM 352 NZ LYS A 25 11.020 -14.617 -3.069 1.00 0.00 N ATOM 0 H LYS A 25 11.754 -8.279 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 25 9.263 -9.163 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.584 -9.616 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.854 -10.696 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.808 -12.006 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.792 -11.009 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.076 -12.764 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.350 -11.732 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.938 -13.729 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.920 -13.050 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.349 -15.348 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.049 -14.338 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.035 -14.995 -4.038 1.00 0.00 H new ATOM 366 N LYS A 26 10.399 -10.671 0.412 1.00 0.00 N ATOM 367 CA LYS A 26 9.998 -11.494 1.547 1.00 0.00 C ATOM 368 C LYS A 26 8.762 -10.916 2.228 1.00 0.00 C ATOM 369 O LYS A 26 7.844 -11.650 2.595 1.00 0.00 O ATOM 370 CB LYS A 26 11.145 -11.602 2.555 1.00 0.00 C ATOM 371 CG LYS A 26 11.102 -12.868 3.392 1.00 0.00 C ATOM 372 CD LYS A 26 12.439 -13.142 4.058 1.00 0.00 C ATOM 373 CE LYS A 26 12.656 -14.631 4.283 1.00 0.00 C ATOM 374 NZ LYS A 26 13.999 -14.915 4.858 1.00 0.00 N ATOM 0 H LYS A 26 11.375 -10.376 0.429 1.00 0.00 H new ATOM 0 HA LYS A 26 9.754 -12.489 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.093 -11.563 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.118 -10.737 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.327 -12.776 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.829 -13.714 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.243 -12.746 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.485 -12.618 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.886 -15.013 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.547 -15.161 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.108 -15.940 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.735 -14.573 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.094 -14.430 5.773 1.00 0.00 H new ATOM 388 N ALA A 27 8.743 -9.597 2.392 1.00 0.00 N ATOM 389 CA ALA A 27 7.618 -8.922 3.025 1.00 0.00 C ATOM 390 C ALA A 27 6.383 -8.956 2.130 1.00 0.00 C ATOM 391 O ALA A 27 5.253 -8.980 2.617 1.00 0.00 O ATOM 392 CB ALA A 27 7.987 -7.485 3.363 1.00 0.00 C ATOM 0 H ALA A 27 9.495 -8.975 2.095 1.00 0.00 H new ATOM 0 HA ALA A 27 7.381 -9.452 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.137 -6.993 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.836 -7.479 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.253 -6.953 2.449 1.00 0.00 H new ATOM 398 N TYR A 28 6.607 -8.957 0.821 1.00 0.00 N ATOM 399 CA TYR A 28 5.512 -8.985 -0.142 1.00 0.00 C ATOM 400 C TYR A 28 4.853 -10.360 -0.177 1.00 0.00 C ATOM 401 O TYR A 28 3.635 -10.481 -0.047 1.00 0.00 O ATOM 402 CB TYR A 28 6.022 -8.615 -1.536 1.00 0.00 C ATOM 403 CG TYR A 28 5.059 -8.971 -2.646 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.745 -8.521 -2.625 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.465 -9.757 -3.718 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.863 -8.844 -3.637 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.590 -10.084 -4.735 1.00 0.00 C ATOM 408 CZ TYR A 28 3.290 -9.626 -4.690 1.00 0.00 C ATOM 409 OH TYR A 28 2.414 -9.950 -5.701 1.00 0.00 O ATOM 0 H TYR A 28 7.537 -8.939 0.402 1.00 0.00 H new ATOM 0 HA TYR A 28 4.767 -8.253 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.221 -7.544 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.971 -9.121 -1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.407 -7.908 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.482 -10.118 -3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.844 -8.486 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.922 -10.695 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 28 2.873 -10.505 -6.366 1.00 0.00 H new ATOM 419 N TYR A 29 5.667 -11.394 -0.354 1.00 0.00 N ATOM 420 CA TYR A 29 5.165 -12.762 -0.409 1.00 0.00 C ATOM 421 C TYR A 29 4.479 -13.143 0.899 1.00 0.00 C ATOM 422 O TYR A 29 3.479 -13.860 0.902 1.00 0.00 O ATOM 423 CB TYR A 29 6.307 -13.736 -0.703 1.00 0.00 C ATOM 424 CG TYR A 29 6.612 -13.886 -2.176 1.00 0.00 C ATOM 425 CD1 TYR A 29 7.418 -12.967 -2.836 1.00 0.00 C ATOM 426 CD2 TYR A 29 6.094 -14.947 -2.908 1.00 0.00 C ATOM 427 CE1 TYR A 29 7.698 -13.099 -4.182 1.00 0.00 C ATOM 428 CE2 TYR A 29 6.370 -15.089 -4.254 1.00 0.00 C ATOM 429 CZ TYR A 29 7.172 -14.162 -4.887 1.00 0.00 C ATOM 430 OH TYR A 29 7.450 -14.298 -6.228 1.00 0.00 O ATOM 0 H TYR A 29 6.678 -11.311 -0.462 1.00 0.00 H new ATOM 0 HA TYR A 29 4.432 -12.821 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.205 -13.396 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.055 -14.713 -0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.833 -12.135 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.464 -15.674 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.325 -12.374 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.960 -15.921 -4.808 1.00 0.00 H new ATOM 0 HH TYR A 29 7.004 -15.099 -6.575 1.00 0.00 H new ATOM 440 N GLN A 30 5.027 -12.658 2.009 1.00 0.00 N ATOM 441 CA GLN A 30 4.469 -12.948 3.325 1.00 0.00 C ATOM 442 C GLN A 30 3.035 -12.438 3.433 1.00 0.00 C ATOM 443 O GLN A 30 2.133 -13.172 3.840 1.00 0.00 O ATOM 444 CB GLN A 30 5.331 -12.316 4.418 1.00 0.00 C ATOM 445 CG GLN A 30 6.533 -13.160 4.810 1.00 0.00 C ATOM 446 CD GLN A 30 6.137 -14.480 5.443 1.00 0.00 C ATOM 447 OE1 GLN A 30 4.998 -14.657 5.878 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.077 -15.416 5.499 1.00 0.00 N ATOM 0 H GLN A 30 5.856 -12.063 2.023 1.00 0.00 H new ATOM 0 HA GLN A 30 4.461 -14.030 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.678 -11.341 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.715 -12.144 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.141 -13.353 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.155 -12.599 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.008 -15.227 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.869 -16.324 5.914 1.00 0.00 H new ATOM 457 N LEU A 31 2.832 -11.178 3.066 1.00 0.00 N ATOM 458 CA LEU A 31 1.507 -10.569 3.122 1.00 0.00 C ATOM 459 C LEU A 31 0.596 -11.148 2.045 1.00 0.00 C ATOM 460 O LEU A 31 -0.564 -11.468 2.305 1.00 0.00 O ATOM 461 CB LEU A 31 1.614 -9.052 2.954 1.00 0.00 C ATOM 462 CG LEU A 31 2.251 -8.292 4.118 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.929 -7.024 3.620 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.206 -7.960 5.173 1.00 0.00 C ATOM 0 H LEU A 31 3.567 -10.558 2.727 1.00 0.00 H new ATOM 0 HA LEU A 31 1.073 -10.791 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.191 -8.846 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.613 -8.653 2.790 1.00 0.00 H new ATOM 0 HG LEU A 31 3.008 -8.930 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.377 -6.496 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.706 -7.285 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.191 -6.381 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.677 -7.419 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.426 -7.340 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.765 -8.882 5.552 1.00 0.00 H new ATOM 476 N ALA A 32 1.130 -11.283 0.835 1.00 0.00 N ATOM 477 CA ALA A 32 0.366 -11.828 -0.281 1.00 0.00 C ATOM 478 C ALA A 32 -0.167 -13.218 0.046 1.00 0.00 C ATOM 479 O ALA A 32 -1.262 -13.590 -0.376 1.00 0.00 O ATOM 480 CB ALA A 32 1.224 -11.871 -1.536 1.00 0.00 C ATOM 0 H ALA A 32 2.088 -11.022 0.603 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.487 -11.174 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.641 -12.280 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.551 -10.862 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.095 -12.502 -1.360 1.00 0.00 H new ATOM 486 N LYS A 33 0.614 -13.984 0.801 1.00 0.00 N ATOM 487 CA LYS A 33 0.221 -15.335 1.186 1.00 0.00 C ATOM 488 C LYS A 33 -0.745 -15.305 2.366 1.00 0.00 C ATOM 489 O LYS A 33 -1.665 -16.119 2.450 1.00 0.00 O ATOM 490 CB LYS A 33 1.456 -16.165 1.544 1.00 0.00 C ATOM 491 CG LYS A 33 1.148 -17.363 2.426 1.00 0.00 C ATOM 492 CD LYS A 33 0.368 -18.425 1.670 1.00 0.00 C ATOM 493 CE LYS A 33 -0.386 -19.343 2.619 1.00 0.00 C ATOM 494 NZ LYS A 33 -1.756 -18.836 2.911 1.00 0.00 N ATOM 0 H LYS A 33 1.524 -13.692 1.159 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.285 -15.796 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.929 -16.512 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.178 -15.526 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.079 -17.790 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.575 -17.039 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.336 -17.946 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.052 -19.014 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.453 -20.340 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.172 -19.439 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.027 -19.106 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.769 -17.800 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.430 -19.248 2.235 1.00 0.00 H new ATOM 508 N LYS A 34 -0.531 -14.360 3.276 1.00 0.00 N ATOM 509 CA LYS A 34 -1.383 -14.221 4.450 1.00 0.00 C ATOM 510 C LYS A 34 -2.770 -13.722 4.060 1.00 0.00 C ATOM 511 O LYS A 34 -3.773 -14.114 4.658 1.00 0.00 O ATOM 512 CB LYS A 34 -0.747 -13.259 5.457 1.00 0.00 C ATOM 513 CG LYS A 34 -1.666 -12.889 6.608 1.00 0.00 C ATOM 514 CD LYS A 34 -1.338 -11.512 7.162 1.00 0.00 C ATOM 515 CE LYS A 34 -0.137 -11.558 8.094 1.00 0.00 C ATOM 516 NZ LYS A 34 1.149 -11.528 7.343 1.00 0.00 N ATOM 0 H LYS A 34 0.226 -13.679 3.222 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.486 -15.203 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.159 -13.713 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.445 -12.350 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.702 -12.909 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.576 -13.632 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.135 -10.826 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.202 -11.119 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.177 -10.712 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.182 -12.462 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.879 -11.066 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.446 -12.500 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.022 -10.997 6.458 1.00 0.00 H new ATOM 530 N TYR A 35 -2.821 -12.856 3.054 1.00 0.00 N ATOM 531 CA TYR A 35 -4.085 -12.303 2.585 1.00 0.00 C ATOM 532 C TYR A 35 -4.392 -12.772 1.166 1.00 0.00 C ATOM 533 O TYR A 35 -5.030 -12.061 0.388 1.00 0.00 O ATOM 534 CB TYR A 35 -4.045 -10.774 2.630 1.00 0.00 C ATOM 535 CG TYR A 35 -3.789 -10.216 4.012 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.702 -10.411 5.041 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.635 -9.494 4.288 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.472 -9.902 6.305 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.396 -8.983 5.549 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.318 -9.190 6.554 1.00 0.00 C ATOM 541 OH TYR A 35 -3.084 -8.681 7.811 1.00 0.00 O ATOM 0 H TYR A 35 -2.001 -12.522 2.548 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.875 -12.660 3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.267 -10.419 1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.992 -10.383 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.606 -10.970 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.912 -9.329 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.192 -10.061 7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.493 -8.425 5.747 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.226 -8.207 7.818 1.00 0.00 H new ATOM 551 N HIS A 36 -3.935 -13.976 0.836 1.00 0.00 N ATOM 552 CA HIS A 36 -4.161 -14.543 -0.489 1.00 0.00 C ATOM 553 C HIS A 36 -5.650 -14.764 -0.738 1.00 0.00 C ATOM 554 O HIS A 36 -6.398 -15.177 0.148 1.00 0.00 O ATOM 555 CB HIS A 36 -3.405 -15.864 -0.637 1.00 0.00 C ATOM 556 CG HIS A 36 -2.974 -16.153 -2.042 1.00 0.00 C ATOM 557 ND1 HIS A 36 -3.772 -16.810 -2.954 1.00 0.00 N ATOM 558 CD2 HIS A 36 -1.820 -15.869 -2.689 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.127 -16.919 -4.102 1.00 0.00 C ATOM 560 NE2 HIS A 36 -1.940 -16.355 -3.968 1.00 0.00 N ATOM 0 H HIS A 36 -3.406 -14.578 1.468 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.788 -13.835 -1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.526 -15.844 0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.039 -16.678 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.964 -15.356 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.506 -17.389 -4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.228 -16.291 -4.696 1.00 0.00 H new ATOM 704 N ALA A 46 -9.497 -8.710 2.063 1.00 0.00 N ATOM 705 CA ALA A 46 -8.527 -9.503 1.319 1.00 0.00 C ATOM 706 C ALA A 46 -8.480 -9.080 -0.145 1.00 0.00 C ATOM 707 O ALA A 46 -7.412 -9.038 -0.757 1.00 0.00 O ATOM 708 CB ALA A 46 -8.857 -10.984 1.432 1.00 0.00 C ATOM 0 HA ALA A 46 -7.543 -9.328 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.124 -11.564 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.832 -11.283 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.852 -11.167 1.026 1.00 0.00 H new ATOM 714 N LYS A 47 -9.645 -8.768 -0.704 1.00 0.00 N ATOM 715 CA LYS A 47 -9.738 -8.347 -2.097 1.00 0.00 C ATOM 716 C LYS A 47 -8.945 -7.065 -2.332 1.00 0.00 C ATOM 717 O LYS A 47 -8.197 -6.958 -3.303 1.00 0.00 O ATOM 718 CB LYS A 47 -11.201 -8.134 -2.490 1.00 0.00 C ATOM 719 CG LYS A 47 -11.383 -7.658 -3.921 1.00 0.00 C ATOM 720 CD LYS A 47 -11.193 -8.792 -4.914 1.00 0.00 C ATOM 721 CE LYS A 47 -12.437 -9.661 -5.013 1.00 0.00 C ATOM 722 NZ LYS A 47 -13.578 -8.928 -5.629 1.00 0.00 N ATOM 0 H LYS A 47 -10.538 -8.799 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.313 -9.135 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.745 -9.069 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.648 -7.405 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.379 -7.232 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.669 -6.863 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.956 -8.382 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.344 -9.404 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.214 -10.549 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.720 -10.004 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.276 -9.610 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.025 -8.319 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.231 -8.342 -6.415 1.00 0.00 H new ATOM 736 N GLU A 48 -9.113 -6.098 -1.436 1.00 0.00 N ATOM 737 CA GLU A 48 -8.412 -4.824 -1.548 1.00 0.00 C ATOM 738 C GLU A 48 -6.966 -4.957 -1.081 1.00 0.00 C ATOM 739 O GLU A 48 -6.043 -4.464 -1.732 1.00 0.00 O ATOM 740 CB GLU A 48 -9.128 -3.749 -0.727 1.00 0.00 C ATOM 741 CG GLU A 48 -8.244 -2.565 -0.372 1.00 0.00 C ATOM 742 CD GLU A 48 -9.028 -1.276 -0.222 1.00 0.00 C ATOM 743 OE1 GLU A 48 -10.126 -1.177 -0.807 1.00 0.00 O ATOM 744 OE2 GLU A 48 -8.542 -0.366 0.482 1.00 0.00 O ATOM 0 H GLU A 48 -9.728 -6.172 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.411 -4.529 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.992 -3.392 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.507 -4.197 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.717 -2.776 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.486 -2.437 -1.145 1.00 0.00 H new ATOM 751 N LYS A 49 -6.774 -5.625 0.051 1.00 0.00 N ATOM 752 CA LYS A 49 -5.441 -5.824 0.607 1.00 0.00 C ATOM 753 C LYS A 49 -4.525 -6.504 -0.406 1.00 0.00 C ATOM 754 O LYS A 49 -3.378 -6.098 -0.591 1.00 0.00 O ATOM 755 CB LYS A 49 -5.519 -6.664 1.884 1.00 0.00 C ATOM 756 CG LYS A 49 -5.764 -5.843 3.138 1.00 0.00 C ATOM 757 CD LYS A 49 -6.532 -6.636 4.182 1.00 0.00 C ATOM 758 CE LYS A 49 -5.595 -7.415 5.091 1.00 0.00 C ATOM 759 NZ LYS A 49 -4.598 -6.527 5.751 1.00 0.00 N ATOM 0 H LYS A 49 -7.526 -6.038 0.602 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.025 -4.846 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.318 -7.397 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.589 -7.221 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.810 -5.520 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.321 -4.942 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.141 -5.958 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.216 -7.325 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.177 -7.936 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.075 -8.176 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.102 -7.056 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.909 -6.194 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.085 -5.710 6.171 1.00 0.00 H new ATOM 773 N PHE A 50 -5.040 -7.539 -1.062 1.00 0.00 N ATOM 774 CA PHE A 50 -4.269 -8.274 -2.057 1.00 0.00 C ATOM 775 C PHE A 50 -3.827 -7.354 -3.191 1.00 0.00 C ATOM 776 O PHE A 50 -2.664 -7.361 -3.593 1.00 0.00 O ATOM 777 CB PHE A 50 -5.094 -9.435 -2.618 1.00 0.00 C ATOM 778 CG PHE A 50 -4.278 -10.434 -3.386 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.290 -11.173 -2.755 1.00 0.00 C ATOM 780 CD2 PHE A 50 -4.499 -10.637 -4.738 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.537 -12.093 -3.459 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.749 -11.556 -5.448 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.768 -12.286 -4.807 1.00 0.00 C ATOM 0 H PHE A 50 -5.988 -7.887 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.380 -8.673 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.596 -9.944 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.872 -9.036 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.106 -11.028 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.267 -10.070 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.768 -12.661 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.930 -11.703 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.182 -13.007 -5.359 1.00 0.00 H new ATOM 793 N SER A 51 -4.765 -6.565 -3.704 1.00 0.00 N ATOM 794 CA SER A 51 -4.475 -5.642 -4.795 1.00 0.00 C ATOM 795 C SER A 51 -3.362 -4.673 -4.406 1.00 0.00 C ATOM 796 O SER A 51 -2.410 -4.472 -5.159 1.00 0.00 O ATOM 797 CB SER A 51 -5.734 -4.862 -5.180 1.00 0.00 C ATOM 798 OG SER A 51 -6.603 -5.654 -5.970 1.00 0.00 O ATOM 0 H SER A 51 -5.733 -6.546 -3.382 1.00 0.00 H new ATOM 0 HA SER A 51 -4.141 -6.226 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.253 -4.536 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.455 -3.963 -5.730 1.00 0.00 H new ATOM 0 HG SER A 51 -7.400 -5.133 -6.201 1.00 0.00 H new ATOM 804 N GLN A 52 -3.491 -4.078 -3.225 1.00 0.00 N ATOM 805 CA GLN A 52 -2.497 -3.130 -2.736 1.00 0.00 C ATOM 806 C GLN A 52 -1.133 -3.797 -2.592 1.00 0.00 C ATOM 807 O GLN A 52 -0.097 -3.175 -2.832 1.00 0.00 O ATOM 808 CB GLN A 52 -2.936 -2.545 -1.392 1.00 0.00 C ATOM 809 CG GLN A 52 -4.030 -1.497 -1.514 1.00 0.00 C ATOM 810 CD GLN A 52 -3.707 -0.433 -2.544 1.00 0.00 C ATOM 811 OE1 GLN A 52 -3.980 -0.600 -3.733 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.122 0.671 -2.092 1.00 0.00 N ATOM 0 H GLN A 52 -4.273 -4.235 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.412 -2.324 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.288 -3.353 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.072 -2.100 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.967 -1.985 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.184 -1.024 -0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.914 0.768 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.881 1.422 -2.739 1.00 0.00 H new ATOM 821 N LEU A 53 -1.139 -5.066 -2.198 1.00 0.00 N ATOM 822 CA LEU A 53 0.098 -5.819 -2.021 1.00 0.00 C ATOM 823 C LEU A 53 0.785 -6.060 -3.362 1.00 0.00 C ATOM 824 O LEU A 53 1.897 -5.587 -3.595 1.00 0.00 O ATOM 825 CB LEU A 53 -0.189 -7.155 -1.335 1.00 0.00 C ATOM 826 CG LEU A 53 -0.576 -7.081 0.143 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.131 -8.415 0.616 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.621 -6.669 0.988 1.00 0.00 C ATOM 0 H LEU A 53 -1.987 -5.595 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 53 0.766 -5.231 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.993 -7.653 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.695 -7.785 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.353 -6.326 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.401 -8.344 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.015 -8.669 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.375 -9.190 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.327 -6.622 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.420 -7.400 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.974 -5.690 0.666 1.00 0.00 H new ATOM 840 N ALA A 54 0.113 -6.797 -4.241 1.00 0.00 N ATOM 841 CA ALA A 54 0.657 -7.097 -5.559 1.00 0.00 C ATOM 842 C ALA A 54 1.107 -5.825 -6.270 1.00 0.00 C ATOM 843 O ALA A 54 2.184 -5.783 -6.864 1.00 0.00 O ATOM 844 CB ALA A 54 -0.373 -7.837 -6.399 1.00 0.00 C ATOM 0 H ALA A 54 -0.808 -7.197 -4.064 1.00 0.00 H new ATOM 0 HA ALA A 54 1.530 -7.737 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.047 -8.055 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.643 -8.770 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.262 -7.217 -6.514 1.00 0.00 H new ATOM 850 N GLU A 55 0.275 -4.790 -6.205 1.00 0.00 N ATOM 851 CA GLU A 55 0.588 -3.518 -6.845 1.00 0.00 C ATOM 852 C GLU A 55 1.804 -2.866 -6.193 1.00 0.00 C ATOM 853 O GLU A 55 2.690 -2.356 -6.878 1.00 0.00 O ATOM 854 CB GLU A 55 -0.614 -2.573 -6.768 1.00 0.00 C ATOM 855 CG GLU A 55 -0.306 -1.157 -7.225 1.00 0.00 C ATOM 856 CD GLU A 55 -1.557 -0.364 -7.550 1.00 0.00 C ATOM 857 OE1 GLU A 55 -2.606 -0.631 -6.927 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.487 0.522 -8.426 1.00 0.00 O ATOM 0 H GLU A 55 -0.620 -4.808 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 55 0.820 -3.714 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.422 -2.975 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.977 -2.543 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.254 -0.641 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.335 -1.195 -8.106 1.00 0.00 H new ATOM 865 N ALA A 56 1.837 -2.885 -4.865 1.00 0.00 N ATOM 866 CA ALA A 56 2.944 -2.298 -4.120 1.00 0.00 C ATOM 867 C ALA A 56 4.259 -2.994 -4.451 1.00 0.00 C ATOM 868 O ALA A 56 5.296 -2.346 -4.597 1.00 0.00 O ATOM 869 CB ALA A 56 2.669 -2.367 -2.625 1.00 0.00 C ATOM 0 H ALA A 56 1.110 -3.301 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 56 3.033 -1.252 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.504 -1.925 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.756 -1.817 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.550 -3.408 -2.325 1.00 0.00 H new ATOM 875 N TYR A 57 4.210 -4.316 -4.567 1.00 0.00 N ATOM 876 CA TYR A 57 5.399 -5.101 -4.877 1.00 0.00 C ATOM 877 C TYR A 57 5.824 -4.896 -6.328 1.00 0.00 C ATOM 878 O TYR A 57 6.942 -4.463 -6.604 1.00 0.00 O ATOM 879 CB TYR A 57 5.139 -6.585 -4.615 1.00 0.00 C ATOM 880 CG TYR A 57 6.228 -7.493 -5.142 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.379 -7.733 -4.403 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.104 -8.112 -6.380 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.376 -8.560 -4.881 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.095 -8.943 -6.866 1.00 0.00 C ATOM 885 CZ TYR A 57 8.230 -9.163 -6.113 1.00 0.00 C ATOM 886 OH TYR A 57 9.220 -9.990 -6.592 1.00 0.00 O ATOM 0 H TYR A 57 3.359 -4.867 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 57 6.207 -4.761 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.034 -6.743 -3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.190 -6.865 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.496 -7.264 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.218 -7.940 -6.973 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.265 -8.734 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.982 -9.418 -7.830 1.00 0.00 H new ATOM 0 HH TYR A 57 8.961 -10.335 -7.472 1.00 0.00 H new ATOM 896 N GLU A 58 4.921 -5.210 -7.252 1.00 0.00 N ATOM 897 CA GLU A 58 5.201 -5.061 -8.675 1.00 0.00 C ATOM 898 C GLU A 58 6.004 -3.791 -8.941 1.00 0.00 C ATOM 899 O GLU A 58 6.776 -3.719 -9.897 1.00 0.00 O ATOM 900 CB GLU A 58 3.897 -5.030 -9.474 1.00 0.00 C ATOM 901 CG GLU A 58 4.091 -5.244 -10.966 1.00 0.00 C ATOM 902 CD GLU A 58 4.389 -6.689 -11.314 1.00 0.00 C ATOM 903 OE1 GLU A 58 3.438 -7.499 -11.346 1.00 0.00 O ATOM 904 OE2 GLU A 58 5.571 -7.011 -11.553 1.00 0.00 O ATOM 0 H GLU A 58 3.990 -5.569 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 58 5.793 -5.919 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.227 -5.799 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.406 -4.070 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.193 -4.925 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.908 -4.614 -11.316 1.00 0.00 H new ATOM 911 N VAL A 59 5.815 -2.789 -8.088 1.00 0.00 N ATOM 912 CA VAL A 59 6.521 -1.521 -8.230 1.00 0.00 C ATOM 913 C VAL A 59 7.897 -1.583 -7.578 1.00 0.00 C ATOM 914 O VAL A 59 8.921 -1.456 -8.251 1.00 0.00 O ATOM 915 CB VAL A 59 5.721 -0.361 -7.606 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.570 0.899 -7.543 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.442 -0.113 -8.392 1.00 0.00 C ATOM 0 H VAL A 59 5.179 -2.831 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 59 6.636 -1.340 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 59 5.447 -0.637 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.989 1.708 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.454 0.712 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.876 1.182 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.889 0.709 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.692 0.143 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.828 -1.013 -8.380 1.00 0.00 H new ATOM 927 N LEU A 60 7.915 -1.779 -6.264 1.00 0.00 N ATOM 928 CA LEU A 60 9.167 -1.858 -5.520 1.00 0.00 C ATOM 929 C LEU A 60 10.096 -2.905 -6.126 1.00 0.00 C ATOM 930 O LEU A 60 11.252 -2.619 -6.437 1.00 0.00 O ATOM 931 CB LEU A 60 8.891 -2.194 -4.053 1.00 0.00 C ATOM 932 CG LEU A 60 7.930 -1.257 -3.320 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.489 -1.871 -2.000 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.581 0.099 -3.088 1.00 0.00 C ATOM 0 H LEU A 60 7.077 -1.886 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 60 9.657 -0.886 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.490 -3.206 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.840 -2.200 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 60 7.047 -1.113 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.806 -1.190 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.983 -2.818 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.361 -2.046 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.883 0.753 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.480 -0.028 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.846 0.544 -4.047 1.00 0.00 H new ATOM 946 N SER A 61 9.582 -4.120 -6.293 1.00 0.00 N ATOM 947 CA SER A 61 10.365 -5.210 -6.861 1.00 0.00 C ATOM 948 C SER A 61 11.187 -4.726 -8.052 1.00 0.00 C ATOM 949 O SER A 61 12.345 -5.110 -8.219 1.00 0.00 O ATOM 950 CB SER A 61 9.447 -6.355 -7.293 1.00 0.00 C ATOM 951 OG SER A 61 8.814 -6.065 -8.527 1.00 0.00 O ATOM 0 H SER A 61 8.626 -4.373 -6.043 1.00 0.00 H new ATOM 0 HA SER A 61 11.048 -5.571 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.026 -7.274 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.692 -6.529 -6.526 1.00 0.00 H new ATOM 0 HG SER A 61 8.047 -5.475 -8.371 1.00 0.00 H new ATOM 957 N ASP A 62 10.579 -3.881 -8.878 1.00 0.00 N ATOM 958 CA ASP A 62 11.253 -3.343 -10.053 1.00 0.00 C ATOM 959 C ASP A 62 12.054 -2.095 -9.696 1.00 0.00 C ATOM 960 O ASP A 62 11.505 -1.116 -9.191 1.00 0.00 O ATOM 961 CB ASP A 62 10.234 -3.014 -11.146 1.00 0.00 C ATOM 962 CG ASP A 62 10.884 -2.809 -12.500 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.965 -2.187 -12.551 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.310 -3.270 -13.509 1.00 0.00 O ATOM 0 H ASP A 62 9.621 -3.554 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 62 11.942 -4.101 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.505 -3.822 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.686 -2.113 -10.869 1.00 0.00 H new ATOM 969 N GLU A 63 13.356 -2.138 -9.961 1.00 0.00 N ATOM 970 CA GLU A 63 14.233 -1.011 -9.665 1.00 0.00 C ATOM 971 C GLU A 63 13.738 0.259 -10.351 1.00 0.00 C ATOM 972 O GLU A 63 13.803 1.350 -9.785 1.00 0.00 O ATOM 973 CB GLU A 63 15.664 -1.319 -10.110 1.00 0.00 C ATOM 974 CG GLU A 63 16.103 -2.742 -9.807 1.00 0.00 C ATOM 975 CD GLU A 63 15.774 -3.164 -8.388 1.00 0.00 C ATOM 976 OE1 GLU A 63 16.451 -2.684 -7.455 1.00 0.00 O ATOM 977 OE2 GLU A 63 14.841 -3.975 -8.210 1.00 0.00 O ATOM 0 H GLU A 63 13.826 -2.940 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 63 14.222 -0.849 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.748 -1.142 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.346 -0.625 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.620 -3.424 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.178 -2.829 -9.968 1.00 0.00 H new ATOM 984 N VAL A 64 13.243 0.108 -11.576 1.00 0.00 N ATOM 985 CA VAL A 64 12.736 1.241 -12.341 1.00 0.00 C ATOM 986 C VAL A 64 11.455 1.791 -11.723 1.00 0.00 C ATOM 987 O VAL A 64 11.438 2.898 -11.185 1.00 0.00 O ATOM 988 CB VAL A 64 12.461 0.851 -13.805 1.00 0.00 C ATOM 989 CG1 VAL A 64 12.084 2.078 -14.622 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.670 0.151 -14.406 1.00 0.00 C ATOM 0 H VAL A 64 13.182 -0.788 -12.060 1.00 0.00 H new ATOM 0 HA VAL A 64 13.507 2.011 -12.317 1.00 0.00 H new ATOM 0 HB VAL A 64 11.621 0.157 -13.827 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.893 1.783 -15.654 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.187 2.533 -14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.902 2.798 -14.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.458 -0.117 -15.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.531 0.819 -14.374 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.889 -0.751 -13.835 1.00 0.00 H new ATOM 1000 N LYS A 65 10.383 1.011 -11.805 1.00 0.00 N ATOM 1001 CA LYS A 65 9.096 1.418 -11.253 1.00 0.00 C ATOM 1002 C LYS A 65 9.261 1.979 -9.844 1.00 0.00 C ATOM 1003 O LYS A 65 8.528 2.879 -9.434 1.00 0.00 O ATOM 1004 CB LYS A 65 8.129 0.232 -11.231 1.00 0.00 C ATOM 1005 CG LYS A 65 7.913 -0.402 -12.594 1.00 0.00 C ATOM 1006 CD LYS A 65 6.644 -1.236 -12.627 1.00 0.00 C ATOM 1007 CE LYS A 65 5.434 -0.395 -13.007 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.846 0.297 -11.826 1.00 0.00 N ATOM 0 H LYS A 65 10.380 0.093 -12.249 1.00 0.00 H new ATOM 0 HA LYS A 65 8.687 2.201 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.510 -0.524 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.168 0.565 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.857 0.377 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.768 -1.030 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.761 -2.051 -13.342 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.480 -1.690 -11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.725 0.344 -13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.679 -1.032 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.925 0.705 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.717 -0.386 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.485 1.056 -11.514 1.00 0.00 H new ATOM 1022 N ARG A 66 10.229 1.442 -9.108 1.00 0.00 N ATOM 1023 CA ARG A 66 10.490 1.890 -7.745 1.00 0.00 C ATOM 1024 C ARG A 66 11.006 3.326 -7.734 1.00 0.00 C ATOM 1025 O ARG A 66 10.414 4.205 -7.107 1.00 0.00 O ATOM 1026 CB ARG A 66 11.506 0.967 -7.068 1.00 0.00 C ATOM 1027 CG ARG A 66 11.650 1.212 -5.575 1.00 0.00 C ATOM 1028 CD ARG A 66 13.031 0.813 -5.077 1.00 0.00 C ATOM 1029 NE ARG A 66 13.169 1.005 -3.636 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.322 0.890 -2.986 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.431 0.587 -3.646 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.367 1.080 -1.673 1.00 0.00 N ATOM 0 H ARG A 66 10.845 0.697 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 66 9.551 1.855 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.208 -0.069 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.477 1.098 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.474 2.266 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.890 0.646 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.217 -0.232 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.788 1.402 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 66 12.334 1.240 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.400 0.442 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.315 0.499 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.516 1.315 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.253 0.991 -1.175 1.00 0.00 H new ATOM 1046 N LYS A 67 12.113 3.557 -8.432 1.00 0.00 N ATOM 1047 CA LYS A 67 12.709 4.886 -8.504 1.00 0.00 C ATOM 1048 C LYS A 67 11.646 5.945 -8.783 1.00 0.00 C ATOM 1049 O LYS A 67 11.655 7.018 -8.181 1.00 0.00 O ATOM 1050 CB LYS A 67 13.783 4.927 -9.593 1.00 0.00 C ATOM 1051 CG LYS A 67 14.453 6.283 -9.736 1.00 0.00 C ATOM 1052 CD LYS A 67 15.585 6.242 -10.748 1.00 0.00 C ATOM 1053 CE LYS A 67 16.221 7.612 -10.930 1.00 0.00 C ATOM 1054 NZ LYS A 67 16.870 7.749 -12.263 1.00 0.00 N ATOM 0 H LYS A 67 12.616 2.841 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 67 13.169 5.103 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.543 4.177 -9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.332 4.651 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.715 7.024 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.840 6.602 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.342 5.529 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.205 5.886 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.460 8.384 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.961 7.776 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.292 8.696 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.614 7.029 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.159 7.618 -13.010 1.00 0.00 H new ATOM 1068 N GLN A 68 10.732 5.633 -9.696 1.00 0.00 N ATOM 1069 CA GLN A 68 9.663 6.559 -10.052 1.00 0.00 C ATOM 1070 C GLN A 68 8.676 6.719 -8.901 1.00 0.00 C ATOM 1071 O GLN A 68 8.231 7.827 -8.602 1.00 0.00 O ATOM 1072 CB GLN A 68 8.932 6.068 -11.303 1.00 0.00 C ATOM 1073 CG GLN A 68 9.779 6.123 -12.564 1.00 0.00 C ATOM 1074 CD GLN A 68 9.232 5.245 -13.673 1.00 0.00 C ATOM 1075 OE1 GLN A 68 9.191 4.021 -13.549 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.807 5.868 -14.766 1.00 0.00 N ATOM 0 H GLN A 68 10.710 4.748 -10.202 1.00 0.00 H new ATOM 0 HA GLN A 68 10.111 7.531 -10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.602 5.042 -11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.036 6.671 -11.450 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.834 7.153 -12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.796 5.812 -12.328 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.859 6.885 -14.826 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.428 5.330 -15.545 1.00 0.00 H new ATOM 1085 N TYR A 69 8.337 5.606 -8.259 1.00 0.00 N ATOM 1086 CA TYR A 69 7.400 5.623 -7.143 1.00 0.00 C ATOM 1087 C TYR A 69 7.851 6.607 -6.068 1.00 0.00 C ATOM 1088 O TYR A 69 7.040 7.339 -5.500 1.00 0.00 O ATOM 1089 CB TYR A 69 7.264 4.222 -6.543 1.00 0.00 C ATOM 1090 CG TYR A 69 6.897 4.225 -5.076 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.800 4.942 -4.615 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.647 3.509 -4.151 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.461 4.948 -3.276 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.315 3.508 -2.810 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.221 4.229 -2.377 1.00 0.00 C ATOM 1096 OH TYR A 69 5.887 4.231 -1.043 1.00 0.00 O ATOM 0 H TYR A 69 8.698 4.681 -8.493 1.00 0.00 H new ATOM 0 HA TYR A 69 6.430 5.945 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.505 3.670 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.205 3.687 -6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.202 5.505 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.504 2.944 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.606 5.512 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.909 2.946 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 69 6.689 4.063 -0.505 1.00 0.00 H new ATOM 1106 N ASP A 70 9.151 6.620 -5.794 1.00 0.00 N ATOM 1107 CA ASP A 70 9.712 7.515 -4.789 1.00 0.00 C ATOM 1108 C ASP A 70 9.787 8.944 -5.315 1.00 0.00 C ATOM 1109 O ASP A 70 9.388 9.889 -4.634 1.00 0.00 O ATOM 1110 CB ASP A 70 11.105 7.038 -4.372 1.00 0.00 C ATOM 1111 CG ASP A 70 11.498 7.536 -2.995 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.164 6.857 -2.001 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.139 8.604 -2.910 1.00 0.00 O ATOM 0 H ASP A 70 9.836 6.021 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 70 9.056 7.502 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.131 5.948 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.838 7.382 -5.102 1.00 0.00 H new