USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 683 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 MET CE :methyl 145:sc= -1.24 (180deg=-2.66!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -132:sc= 0.372 (180deg=0.129) USER MOD Single : A 13 TYR OH : rot -84:sc= -1.08 USER MOD Single : A 15 MET CE :methyl -170:sc= -0.744 (180deg=-0.783) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0385 F(o=-1.7!,f=-0.039) USER MOD Single : A 44 ASN : amide:sc= 0.776 K(o=0.78,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0747 (180deg=-0.353) USER MOD Single : A 49 MET CE :methyl 146:sc= -0.383 (180deg=-4.85!) USER MOD Single : A 51 TYR OH : rot 123:sc= 0.0924 USER MOD Single : A 56 MET CE :methyl -163:sc= -2.14 (180deg=-3.06!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-6.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.533 (180deg=-0.711) USER MOD Single : A 74 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.0056) USER MOD Single : A 77 SER OG : rot -130:sc= -0.247 USER MOD Single : A 79 THR OG1 : rot -119:sc= 0.894 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0225 F(o=-1.1,f=-0.023) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.384 11.965 -4.316 1.00 52.44 N ATOM 40 CA GLU A 4 -1.455 11.327 -5.651 1.00 4.14 C ATOM 41 C GLU A 4 -0.060 10.986 -6.184 1.00 21.11 C ATOM 42 O GLU A 4 0.129 9.970 -6.870 1.00 23.52 O ATOM 43 CB GLU A 4 -2.206 12.240 -6.646 1.00 42.30 C ATOM 44 CG GLU A 4 -3.651 12.602 -6.225 1.00 31.40 C ATOM 45 CD GLU A 4 -3.734 13.595 -5.048 1.00 12.04 C ATOM 46 OE1 GLU A 4 -3.421 14.783 -5.232 1.00 21.13 O ATOM 47 OE2 GLU A 4 -4.059 13.176 -3.924 1.00 13.12 O ATOM 0 HA GLU A 4 -2.007 10.393 -5.545 1.00 4.14 H new ATOM 0 HB2 GLU A 4 -1.637 13.161 -6.774 1.00 42.30 H new ATOM 0 HB3 GLU A 4 -2.237 11.748 -7.618 1.00 42.30 H new ATOM 0 HG2 GLU A 4 -4.172 13.027 -7.083 1.00 31.40 H new ATOM 0 HG3 GLU A 4 -4.179 11.688 -5.953 1.00 31.40 H new ATOM 54 N GLU A 5 0.890 11.847 -5.808 1.00 73.43 N ATOM 55 CA GLU A 5 2.316 11.702 -6.092 1.00 13.44 C ATOM 56 C GLU A 5 2.826 10.355 -5.540 1.00 54.33 C ATOM 57 O GLU A 5 3.394 9.554 -6.279 1.00 42.01 O ATOM 58 CB GLU A 5 3.048 12.919 -5.451 1.00 2.03 C ATOM 59 CG GLU A 5 4.501 13.165 -5.904 1.00 1.00 C ATOM 60 CD GLU A 5 5.527 12.142 -5.376 1.00 52.21 C ATOM 61 OE1 GLU A 5 5.661 12.004 -4.143 1.00 45.05 O ATOM 62 OE2 GLU A 5 6.202 11.482 -6.186 1.00 22.22 O ATOM 0 H GLU A 5 0.677 12.693 -5.279 1.00 73.43 H new ATOM 0 HA GLU A 5 2.511 11.694 -7.164 1.00 13.44 H new ATOM 0 HB2 GLU A 5 2.468 13.817 -5.664 1.00 2.03 H new ATOM 0 HB3 GLU A 5 3.046 12.787 -4.369 1.00 2.03 H new ATOM 0 HG2 GLU A 5 4.532 13.160 -6.994 1.00 1.00 H new ATOM 0 HG3 GLU A 5 4.803 14.161 -5.581 1.00 1.00 H new ATOM 69 N VAL A 6 2.569 10.107 -4.243 1.00 3.12 N ATOM 70 CA VAL A 6 3.013 8.867 -3.579 1.00 14.12 C ATOM 71 C VAL A 6 2.105 7.678 -3.919 1.00 25.05 C ATOM 72 O VAL A 6 2.589 6.547 -3.949 1.00 64.24 O ATOM 73 CB VAL A 6 3.148 9.012 -2.020 1.00 0.23 C ATOM 74 CG1 VAL A 6 4.200 10.071 -1.640 1.00 33.33 C ATOM 75 CG2 VAL A 6 1.792 9.321 -1.344 1.00 54.44 C ATOM 0 H VAL A 6 2.058 10.747 -3.635 1.00 3.12 H new ATOM 0 HA VAL A 6 4.010 8.672 -3.975 1.00 14.12 H new ATOM 0 HB VAL A 6 3.488 8.046 -1.646 1.00 0.23 H new ATOM 0 HG11 VAL A 6 4.267 10.145 -0.555 1.00 33.33 H new ATOM 0 HG12 VAL A 6 5.170 9.782 -2.044 1.00 33.33 H new ATOM 0 HG13 VAL A 6 3.909 11.037 -2.052 1.00 33.33 H new ATOM 0 HG21 VAL A 6 1.935 9.413 -0.267 1.00 54.44 H new ATOM 0 HG22 VAL A 6 1.394 10.256 -1.738 1.00 54.44 H new ATOM 0 HG23 VAL A 6 1.090 8.513 -1.550 1.00 54.44 H new ATOM 85 N LYS A 7 0.812 7.950 -4.210 1.00 60.25 N ATOM 86 CA LYS A 7 -0.197 6.891 -4.445 1.00 11.30 C ATOM 87 C LYS A 7 0.164 6.028 -5.660 1.00 25.21 C ATOM 88 O LYS A 7 0.152 4.795 -5.575 1.00 10.51 O ATOM 89 CB LYS A 7 -1.640 7.470 -4.602 1.00 45.30 C ATOM 90 CG LYS A 7 -2.354 7.847 -3.277 1.00 41.50 C ATOM 91 CD LYS A 7 -3.864 8.139 -3.483 1.00 55.34 C ATOM 92 CE LYS A 7 -4.147 9.247 -4.508 1.00 73.43 C ATOM 93 NZ LYS A 7 -5.608 9.469 -4.707 1.00 74.11 N ATOM 0 H LYS A 7 0.442 8.897 -4.288 1.00 60.25 H new ATOM 0 HA LYS A 7 -0.189 6.259 -3.557 1.00 11.30 H new ATOM 0 HB2 LYS A 7 -1.590 8.357 -5.233 1.00 45.30 H new ATOM 0 HB3 LYS A 7 -2.252 6.738 -5.129 1.00 45.30 H new ATOM 0 HG2 LYS A 7 -2.238 7.034 -2.561 1.00 41.50 H new ATOM 0 HG3 LYS A 7 -1.873 8.724 -2.844 1.00 41.50 H new ATOM 0 HD2 LYS A 7 -4.361 7.224 -3.805 1.00 55.34 H new ATOM 0 HD3 LYS A 7 -4.304 8.421 -2.526 1.00 55.34 H new ATOM 0 HE2 LYS A 7 -3.682 10.175 -4.175 1.00 73.43 H new ATOM 0 HE3 LYS A 7 -3.688 8.984 -5.461 1.00 73.43 H new ATOM 0 HZ1 LYS A 7 -5.752 10.225 -5.407 1.00 74.11 H new ATOM 0 HZ2 LYS A 7 -6.049 8.592 -5.050 1.00 74.11 H new ATOM 0 HZ3 LYS A 7 -6.043 9.746 -3.804 1.00 74.11 H new ATOM 107 N GLU A 8 0.485 6.673 -6.786 1.00 24.31 N ATOM 108 CA GLU A 8 0.854 5.949 -8.018 1.00 4.20 C ATOM 109 C GLU A 8 2.202 5.215 -7.856 1.00 0.34 C ATOM 110 O GLU A 8 2.455 4.223 -8.545 1.00 75.22 O ATOM 111 CB GLU A 8 0.897 6.887 -9.237 1.00 33.51 C ATOM 112 CG GLU A 8 1.966 7.998 -9.170 1.00 31.35 C ATOM 113 CD GLU A 8 2.157 8.705 -10.518 1.00 31.42 C ATOM 114 OE1 GLU A 8 2.802 8.121 -11.413 1.00 41.13 O ATOM 115 OE2 GLU A 8 1.618 9.816 -10.713 1.00 52.52 O ATOM 0 H GLU A 8 0.498 7.689 -6.875 1.00 24.31 H new ATOM 0 HA GLU A 8 0.078 5.204 -8.194 1.00 4.20 H new ATOM 0 HB2 GLU A 8 1.073 6.288 -10.131 1.00 33.51 H new ATOM 0 HB3 GLU A 8 -0.082 7.352 -9.353 1.00 33.51 H new ATOM 0 HG2 GLU A 8 1.679 8.730 -8.416 1.00 31.35 H new ATOM 0 HG3 GLU A 8 2.915 7.567 -8.851 1.00 31.35 H new ATOM 122 N LYS A 9 3.058 5.712 -6.936 1.00 62.01 N ATOM 123 CA LYS A 9 4.346 5.073 -6.626 1.00 54.41 C ATOM 124 C LYS A 9 4.152 3.844 -5.743 1.00 22.43 C ATOM 125 O LYS A 9 5.000 2.955 -5.755 1.00 30.45 O ATOM 126 CB LYS A 9 5.329 6.054 -5.958 1.00 1.44 C ATOM 127 CG LYS A 9 5.691 7.280 -6.814 1.00 45.35 C ATOM 128 CD LYS A 9 6.792 8.149 -6.167 1.00 5.12 C ATOM 129 CE LYS A 9 6.507 8.498 -4.693 1.00 24.41 C ATOM 130 NZ LYS A 9 7.458 9.503 -4.163 1.00 73.33 N ATOM 0 H LYS A 9 2.874 6.557 -6.396 1.00 62.01 H new ATOM 0 HA LYS A 9 4.779 4.758 -7.576 1.00 54.41 H new ATOM 0 HB2 LYS A 9 4.896 6.398 -5.019 1.00 1.44 H new ATOM 0 HB3 LYS A 9 6.245 5.518 -5.710 1.00 1.44 H new ATOM 0 HG2 LYS A 9 6.026 6.947 -7.796 1.00 45.35 H new ATOM 0 HG3 LYS A 9 4.799 7.886 -6.970 1.00 45.35 H new ATOM 0 HD2 LYS A 9 7.744 7.623 -6.231 1.00 5.12 H new ATOM 0 HD3 LYS A 9 6.899 9.072 -6.737 1.00 5.12 H new ATOM 0 HE2 LYS A 9 5.490 8.879 -4.601 1.00 24.41 H new ATOM 0 HE3 LYS A 9 6.564 7.592 -4.089 1.00 24.41 H new ATOM 0 HZ1 LYS A 9 7.825 9.183 -3.244 1.00 73.33 H new ATOM 0 HZ2 LYS A 9 8.248 9.619 -4.830 1.00 73.33 H new ATOM 0 HZ3 LYS A 9 6.970 10.413 -4.043 1.00 73.33 H new ATOM 144 N ILE A 10 3.040 3.805 -4.977 1.00 10.41 N ATOM 145 CA ILE A 10 2.625 2.582 -4.264 1.00 23.25 C ATOM 146 C ILE A 10 2.338 1.508 -5.312 1.00 61.24 C ATOM 147 O ILE A 10 2.935 0.442 -5.280 1.00 63.44 O ATOM 148 CB ILE A 10 1.348 2.785 -3.356 1.00 23.53 C ATOM 149 CG1 ILE A 10 1.518 3.996 -2.392 1.00 43.54 C ATOM 150 CG2 ILE A 10 1.015 1.497 -2.562 1.00 40.42 C ATOM 151 CD1 ILE A 10 2.723 3.919 -1.469 1.00 63.14 C ATOM 0 H ILE A 10 2.419 4.602 -4.838 1.00 10.41 H new ATOM 0 HA ILE A 10 3.433 2.294 -3.592 1.00 23.25 H new ATOM 0 HB ILE A 10 0.511 3.002 -4.020 1.00 23.53 H new ATOM 0 HG12 ILE A 10 1.592 4.907 -2.987 1.00 43.54 H new ATOM 0 HG13 ILE A 10 0.618 4.085 -1.783 1.00 43.54 H new ATOM 0 HG21 ILE A 10 0.132 1.667 -1.946 1.00 40.42 H new ATOM 0 HG22 ILE A 10 0.821 0.681 -3.258 1.00 40.42 H new ATOM 0 HG23 ILE A 10 1.858 1.236 -1.923 1.00 40.42 H new ATOM 0 HD11 ILE A 10 2.755 4.807 -0.837 1.00 63.14 H new ATOM 0 HD12 ILE A 10 2.645 3.031 -0.842 1.00 63.14 H new ATOM 0 HD13 ILE A 10 3.634 3.864 -2.064 1.00 63.14 H new ATOM 163 N ARG A 11 1.483 1.882 -6.289 1.00 11.10 N ATOM 164 CA ARG A 11 1.081 1.014 -7.420 1.00 51.12 C ATOM 165 C ARG A 11 2.294 0.426 -8.173 1.00 71.53 C ATOM 166 O ARG A 11 2.354 -0.777 -8.409 1.00 2.54 O ATOM 167 CB ARG A 11 0.190 1.796 -8.425 1.00 24.11 C ATOM 168 CG ARG A 11 -1.259 2.031 -7.970 1.00 4.44 C ATOM 169 CD ARG A 11 -2.125 2.632 -9.096 1.00 5.11 C ATOM 170 NE ARG A 11 -2.279 1.698 -10.234 1.00 24.52 N ATOM 171 CZ ARG A 11 -2.390 2.047 -11.533 1.00 0.03 C ATOM 172 NH1 ARG A 11 -2.368 3.323 -11.905 1.00 43.15 N ATOM 173 NH2 ARG A 11 -2.522 1.103 -12.457 1.00 23.41 N ATOM 0 H ARG A 11 1.048 2.804 -6.316 1.00 11.10 H new ATOM 0 HA ARG A 11 0.517 0.188 -6.987 1.00 51.12 H new ATOM 0 HB2 ARG A 11 0.654 2.763 -8.621 1.00 24.11 H new ATOM 0 HB3 ARG A 11 0.174 1.253 -9.370 1.00 24.11 H new ATOM 0 HG2 ARG A 11 -1.694 1.087 -7.642 1.00 4.44 H new ATOM 0 HG3 ARG A 11 -1.265 2.701 -7.110 1.00 4.44 H new ATOM 0 HD2 ARG A 11 -3.108 2.887 -8.701 1.00 5.11 H new ATOM 0 HD3 ARG A 11 -1.672 3.559 -9.447 1.00 5.11 H new ATOM 0 HE ARG A 11 -2.303 0.702 -10.017 1.00 24.52 H new ATOM 0 HH11 ARG A 11 -2.266 4.057 -11.204 1.00 43.15 H new ATOM 0 HH12 ARG A 11 -2.453 3.568 -12.891 1.00 43.15 H new ATOM 0 HH21 ARG A 11 -2.539 0.120 -12.184 1.00 23.41 H new ATOM 0 HH22 ARG A 11 -2.606 1.360 -13.440 1.00 23.41 H new ATOM 187 N ARG A 12 3.244 1.294 -8.542 1.00 1.22 N ATOM 188 CA ARG A 12 4.422 0.899 -9.345 1.00 34.31 C ATOM 189 C ARG A 12 5.396 0.046 -8.525 1.00 52.41 C ATOM 190 O ARG A 12 5.936 -0.937 -9.037 1.00 54.24 O ATOM 191 CB ARG A 12 5.126 2.149 -9.945 1.00 22.03 C ATOM 192 CG ARG A 12 4.644 2.527 -11.374 1.00 24.41 C ATOM 193 CD ARG A 12 3.128 2.801 -11.462 1.00 42.14 C ATOM 194 NE ARG A 12 2.672 3.026 -12.846 1.00 33.14 N ATOM 195 CZ ARG A 12 2.111 4.154 -13.309 1.00 34.34 C ATOM 196 NH1 ARG A 12 1.928 5.216 -12.516 1.00 62.44 N ATOM 197 NH2 ARG A 12 1.734 4.208 -14.570 1.00 34.44 N ATOM 0 H ARG A 12 3.224 2.284 -8.298 1.00 1.22 H new ATOM 0 HA ARG A 12 4.072 0.283 -10.174 1.00 34.31 H new ATOM 0 HB2 ARG A 12 4.962 2.998 -9.282 1.00 22.03 H new ATOM 0 HB3 ARG A 12 6.201 1.969 -9.972 1.00 22.03 H new ATOM 0 HG2 ARG A 12 5.185 3.412 -11.709 1.00 24.41 H new ATOM 0 HG3 ARG A 12 4.899 1.719 -12.060 1.00 24.41 H new ATOM 0 HD2 ARG A 12 2.585 1.957 -11.037 1.00 42.14 H new ATOM 0 HD3 ARG A 12 2.885 3.674 -10.857 1.00 42.14 H new ATOM 0 HE ARG A 12 2.793 2.259 -13.508 1.00 33.14 H new ATOM 0 HH11 ARG A 12 2.217 5.178 -11.539 1.00 62.44 H new ATOM 0 HH12 ARG A 12 1.500 6.063 -12.889 1.00 62.44 H new ATOM 0 HH21 ARG A 12 1.870 3.400 -15.178 1.00 34.44 H new ATOM 0 HH22 ARG A 12 1.306 5.057 -14.938 1.00 34.44 H new ATOM 211 N TYR A 13 5.575 0.417 -7.245 1.00 50.20 N ATOM 212 CA TYR A 13 6.405 -0.355 -6.288 1.00 31.21 C ATOM 213 C TYR A 13 5.882 -1.795 -6.154 1.00 33.14 C ATOM 214 O TYR A 13 6.662 -2.746 -6.100 1.00 61.31 O ATOM 215 CB TYR A 13 6.418 0.332 -4.900 1.00 52.20 C ATOM 216 CG TYR A 13 7.182 -0.461 -3.815 1.00 61.41 C ATOM 217 CD1 TYR A 13 8.559 -0.676 -3.927 1.00 73.42 C ATOM 218 CD2 TYR A 13 6.522 -1.009 -2.710 1.00 45.30 C ATOM 219 CE1 TYR A 13 9.241 -1.402 -2.986 1.00 52.51 C ATOM 220 CE2 TYR A 13 7.213 -1.734 -1.765 1.00 30.30 C ATOM 221 CZ TYR A 13 8.567 -1.925 -1.910 1.00 32.51 C ATOM 222 OH TYR A 13 9.258 -2.668 -0.993 1.00 51.23 O ATOM 0 H TYR A 13 5.154 1.254 -6.841 1.00 50.20 H new ATOM 0 HA TYR A 13 7.424 -0.387 -6.675 1.00 31.21 H new ATOM 0 HB2 TYR A 13 6.868 1.320 -4.999 1.00 52.20 H new ATOM 0 HB3 TYR A 13 5.390 0.482 -4.570 1.00 52.20 H new ATOM 0 HD1 TYR A 13 9.094 -0.263 -4.769 1.00 73.42 H new ATOM 0 HD2 TYR A 13 5.458 -0.862 -2.597 1.00 45.30 H new ATOM 0 HE1 TYR A 13 10.304 -1.562 -3.090 1.00 52.51 H new ATOM 0 HE2 TYR A 13 6.694 -2.150 -0.914 1.00 30.30 H new ATOM 0 HH TYR A 13 9.328 -3.594 -1.307 1.00 51.23 H new ATOM 232 N ILE A 14 4.551 -1.910 -6.105 1.00 23.42 N ATOM 233 CA ILE A 14 3.844 -3.187 -6.066 1.00 21.04 C ATOM 234 C ILE A 14 4.271 -4.070 -7.250 1.00 1.40 C ATOM 235 O ILE A 14 4.701 -5.194 -7.060 1.00 23.44 O ATOM 236 CB ILE A 14 2.284 -2.941 -6.034 1.00 54.54 C ATOM 237 CG1 ILE A 14 1.833 -2.342 -4.658 1.00 54.33 C ATOM 238 CG2 ILE A 14 1.488 -4.208 -6.366 1.00 15.51 C ATOM 239 CD1 ILE A 14 2.120 -3.222 -3.455 1.00 43.33 C ATOM 0 H ILE A 14 3.927 -1.103 -6.091 1.00 23.42 H new ATOM 0 HA ILE A 14 4.109 -3.722 -5.154 1.00 21.04 H new ATOM 0 HB ILE A 14 2.065 -2.211 -6.814 1.00 54.54 H new ATOM 0 HG12 ILE A 14 2.330 -1.382 -4.515 1.00 54.33 H new ATOM 0 HG13 ILE A 14 0.762 -2.143 -4.698 1.00 54.33 H new ATOM 0 HG21 ILE A 14 0.421 -3.987 -6.331 1.00 15.51 H new ATOM 0 HG22 ILE A 14 1.754 -4.554 -7.365 1.00 15.51 H new ATOM 0 HG23 ILE A 14 1.722 -4.985 -5.639 1.00 15.51 H new ATOM 0 HD11 ILE A 14 1.773 -2.725 -2.549 1.00 43.33 H new ATOM 0 HD12 ILE A 14 1.601 -4.174 -3.568 1.00 43.33 H new ATOM 0 HD13 ILE A 14 3.193 -3.401 -3.383 1.00 43.33 H new ATOM 251 N MET A 15 4.239 -3.513 -8.455 1.00 72.40 N ATOM 252 CA MET A 15 4.532 -4.279 -9.681 1.00 60.33 C ATOM 253 C MET A 15 6.030 -4.620 -9.798 1.00 14.13 C ATOM 254 O MET A 15 6.386 -5.746 -10.133 1.00 62.54 O ATOM 255 CB MET A 15 4.055 -3.506 -10.929 1.00 21.43 C ATOM 256 CG MET A 15 2.639 -2.947 -10.802 1.00 32.14 C ATOM 257 SD MET A 15 1.491 -4.065 -9.953 1.00 70.24 S ATOM 258 CE MET A 15 1.109 -5.269 -11.212 1.00 22.02 C ATOM 0 H MET A 15 4.014 -2.532 -8.619 1.00 72.40 H new ATOM 0 HA MET A 15 3.985 -5.220 -9.618 1.00 60.33 H new ATOM 0 HB2 MET A 15 4.744 -2.684 -11.122 1.00 21.43 H new ATOM 0 HB3 MET A 15 4.098 -4.168 -11.794 1.00 21.43 H new ATOM 0 HG2 MET A 15 2.678 -2.001 -10.262 1.00 32.14 H new ATOM 0 HG3 MET A 15 2.252 -2.730 -11.798 1.00 32.14 H new ATOM 0 HE1 MET A 15 0.286 -5.899 -10.875 1.00 22.02 H new ATOM 0 HE2 MET A 15 0.821 -4.757 -12.130 1.00 22.02 H new ATOM 0 HE3 MET A 15 1.986 -5.888 -11.401 1.00 22.02 H new ATOM 268 N GLU A 16 6.896 -3.654 -9.468 1.00 31.30 N ATOM 269 CA GLU A 16 8.353 -3.775 -9.692 1.00 61.34 C ATOM 270 C GLU A 16 9.039 -4.621 -8.606 1.00 53.41 C ATOM 271 O GLU A 16 10.060 -5.257 -8.872 1.00 33.32 O ATOM 272 CB GLU A 16 8.988 -2.358 -9.793 1.00 41.34 C ATOM 273 CG GLU A 16 8.469 -1.534 -10.993 1.00 14.35 C ATOM 274 CD GLU A 16 9.017 -0.096 -11.024 1.00 5.24 C ATOM 275 OE1 GLU A 16 10.138 0.113 -11.541 1.00 44.15 O ATOM 276 OE2 GLU A 16 8.349 0.826 -10.511 1.00 11.34 O ATOM 0 H GLU A 16 6.616 -2.771 -9.041 1.00 31.30 H new ATOM 0 HA GLU A 16 8.509 -4.301 -10.634 1.00 61.34 H new ATOM 0 HB2 GLU A 16 8.785 -1.811 -8.872 1.00 41.34 H new ATOM 0 HB3 GLU A 16 10.070 -2.458 -9.872 1.00 41.34 H new ATOM 0 HG2 GLU A 16 8.743 -2.040 -11.919 1.00 14.35 H new ATOM 0 HG3 GLU A 16 7.380 -1.500 -10.958 1.00 14.35 H new ATOM 283 N ASP A 17 8.467 -4.640 -7.397 1.00 55.24 N ATOM 284 CA ASP A 17 9.048 -5.372 -6.243 1.00 33.41 C ATOM 285 C ASP A 17 8.180 -6.581 -5.878 1.00 31.11 C ATOM 286 O ASP A 17 8.639 -7.730 -5.950 1.00 25.33 O ATOM 287 CB ASP A 17 9.185 -4.404 -5.031 1.00 13.51 C ATOM 288 CG ASP A 17 9.781 -5.060 -3.768 1.00 54.24 C ATOM 289 OD1 ASP A 17 11.001 -5.312 -3.755 1.00 41.45 O ATOM 290 OD2 ASP A 17 9.042 -5.349 -2.799 1.00 73.03 O ATOM 0 H ASP A 17 7.595 -4.156 -7.182 1.00 55.24 H new ATOM 0 HA ASP A 17 10.036 -5.742 -6.515 1.00 33.41 H new ATOM 0 HB2 ASP A 17 9.813 -3.562 -5.321 1.00 13.51 H new ATOM 0 HB3 ASP A 17 8.202 -4.000 -4.789 1.00 13.51 H new ATOM 295 N LEU A 18 6.912 -6.312 -5.515 1.00 44.35 N ATOM 296 CA LEU A 18 5.981 -7.338 -4.986 1.00 65.10 C ATOM 297 C LEU A 18 5.630 -8.392 -6.050 1.00 55.33 C ATOM 298 O LEU A 18 5.469 -9.574 -5.728 1.00 74.13 O ATOM 299 CB LEU A 18 4.698 -6.677 -4.394 1.00 0.23 C ATOM 300 CG LEU A 18 4.882 -5.867 -3.065 1.00 3.41 C ATOM 301 CD1 LEU A 18 5.492 -6.746 -1.968 1.00 31.42 C ATOM 302 CD2 LEU A 18 5.708 -4.578 -3.246 1.00 35.45 C ATOM 0 H LEU A 18 6.500 -5.381 -5.578 1.00 44.35 H new ATOM 0 HA LEU A 18 6.493 -7.859 -4.177 1.00 65.10 H new ATOM 0 HB2 LEU A 18 4.280 -6.009 -5.146 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.960 -7.460 -4.218 1.00 0.23 H new ATOM 0 HG LEU A 18 3.883 -5.556 -2.760 1.00 3.41 H new ATOM 0 HD11 LEU A 18 5.610 -6.161 -1.056 1.00 31.42 H new ATOM 0 HD12 LEU A 18 4.835 -7.593 -1.773 1.00 31.42 H new ATOM 0 HD13 LEU A 18 6.466 -7.110 -2.293 1.00 31.42 H new ATOM 0 HD21 LEU A 18 5.797 -4.066 -2.288 1.00 35.45 H new ATOM 0 HD22 LEU A 18 6.702 -4.831 -3.616 1.00 35.45 H new ATOM 0 HD23 LEU A 18 5.210 -3.924 -3.962 1.00 35.45 H new ATOM 314 N ILE A 19 5.502 -7.951 -7.312 1.00 12.44 N ATOM 315 CA ILE A 19 5.323 -8.846 -8.464 1.00 71.42 C ATOM 316 C ILE A 19 6.705 -9.280 -9.007 1.00 23.44 C ATOM 317 O ILE A 19 6.941 -10.469 -9.261 1.00 11.21 O ATOM 318 CB ILE A 19 4.447 -8.173 -9.605 1.00 64.20 C ATOM 319 CG1 ILE A 19 2.925 -8.122 -9.239 1.00 4.05 C ATOM 320 CG2 ILE A 19 4.630 -8.876 -10.968 1.00 42.40 C ATOM 321 CD1 ILE A 19 2.552 -7.266 -8.046 1.00 11.22 C ATOM 0 H ILE A 19 5.520 -6.962 -7.561 1.00 12.44 H new ATOM 0 HA ILE A 19 4.779 -9.729 -8.129 1.00 71.42 H new ATOM 0 HB ILE A 19 4.812 -7.149 -9.689 1.00 64.20 H new ATOM 0 HG12 ILE A 19 2.376 -7.757 -10.107 1.00 4.05 H new ATOM 0 HG13 ILE A 19 2.584 -9.140 -9.050 1.00 4.05 H new ATOM 0 HG21 ILE A 19 4.012 -8.382 -11.718 1.00 42.40 H new ATOM 0 HG22 ILE A 19 5.677 -8.822 -11.267 1.00 42.40 H new ATOM 0 HG23 ILE A 19 4.330 -9.920 -10.882 1.00 42.40 H new ATOM 0 HD11 ILE A 19 1.474 -7.309 -7.890 1.00 11.22 H new ATOM 0 HD12 ILE A 19 3.062 -7.638 -7.158 1.00 11.22 H new ATOM 0 HD13 ILE A 19 2.851 -6.234 -8.231 1.00 11.22 H new ATOM 333 N GLY A 20 7.623 -8.306 -9.151 1.00 42.03 N ATOM 334 CA GLY A 20 8.952 -8.553 -9.728 1.00 14.52 C ATOM 335 C GLY A 20 9.091 -7.962 -11.139 1.00 20.41 C ATOM 336 O GLY A 20 8.311 -7.078 -11.503 1.00 64.34 O ATOM 0 H GLY A 20 7.465 -7.337 -8.873 1.00 42.03 H new ATOM 0 HA2 GLY A 20 9.714 -8.122 -9.079 1.00 14.52 H new ATOM 0 HA3 GLY A 20 9.136 -9.627 -9.766 1.00 14.52 H new ATOM 340 N PRO A 21 10.086 -8.433 -11.958 1.00 35.51 N ATOM 341 CA PRO A 21 10.375 -7.859 -13.296 1.00 50.42 C ATOM 342 C PRO A 21 9.199 -7.996 -14.296 1.00 51.42 C ATOM 343 O PRO A 21 8.850 -7.020 -14.978 1.00 52.01 O ATOM 344 CB PRO A 21 11.633 -8.642 -13.763 1.00 3.53 C ATOM 345 CG PRO A 21 11.646 -9.900 -12.952 1.00 72.35 C ATOM 346 CD PRO A 21 11.020 -9.541 -11.622 1.00 25.21 C ATOM 0 HA PRO A 21 10.533 -6.782 -13.247 1.00 50.42 H new ATOM 0 HB2 PRO A 21 11.584 -8.863 -14.829 1.00 3.53 H new ATOM 0 HB3 PRO A 21 12.540 -8.060 -13.599 1.00 3.53 H new ATOM 0 HG2 PRO A 21 11.083 -10.691 -13.448 1.00 72.35 H new ATOM 0 HG3 PRO A 21 12.663 -10.268 -12.818 1.00 72.35 H new ATOM 0 HD2 PRO A 21 10.494 -10.390 -11.185 1.00 25.21 H new ATOM 0 HD3 PRO A 21 11.771 -9.225 -10.898 1.00 25.21 H new ATOM 354 N SER A 22 8.595 -9.197 -14.376 1.00 34.30 N ATOM 355 CA SER A 22 7.443 -9.451 -15.268 1.00 54.35 C ATOM 356 C SER A 22 6.161 -8.866 -14.642 1.00 55.43 C ATOM 357 O SER A 22 5.403 -9.573 -13.972 1.00 11.22 O ATOM 358 CB SER A 22 7.295 -10.966 -15.538 1.00 34.21 C ATOM 359 OG SER A 22 8.487 -11.500 -16.086 1.00 73.40 O ATOM 0 H SER A 22 8.885 -10.010 -13.833 1.00 34.30 H new ATOM 0 HA SER A 22 7.613 -8.959 -16.226 1.00 54.35 H new ATOM 0 HB2 SER A 22 7.053 -11.483 -14.609 1.00 34.21 H new ATOM 0 HB3 SER A 22 6.466 -11.138 -16.224 1.00 34.21 H new ATOM 0 HG SER A 22 8.372 -12.460 -16.247 1.00 73.40 H new ATOM 365 N ALA A 23 5.960 -7.557 -14.853 1.00 13.42 N ATOM 366 CA ALA A 23 4.917 -6.771 -14.177 1.00 72.32 C ATOM 367 C ALA A 23 3.827 -6.321 -15.166 1.00 3.41 C ATOM 368 O ALA A 23 4.133 -5.780 -16.230 1.00 33.44 O ATOM 369 CB ALA A 23 5.574 -5.567 -13.498 1.00 72.15 C ATOM 0 H ALA A 23 6.522 -7.009 -15.504 1.00 13.42 H new ATOM 0 HA ALA A 23 4.427 -7.391 -13.427 1.00 72.32 H new ATOM 0 HB1 ALA A 23 4.812 -4.974 -12.992 1.00 72.15 H new ATOM 0 HB2 ALA A 23 6.306 -5.915 -12.769 1.00 72.15 H new ATOM 0 HB3 ALA A 23 6.072 -4.953 -14.248 1.00 72.15 H new ATOM 375 N LYS A 24 2.559 -6.577 -14.798 1.00 65.33 N ATOM 376 CA LYS A 24 1.373 -6.189 -15.585 1.00 75.14 C ATOM 377 C LYS A 24 0.578 -5.116 -14.834 1.00 73.23 C ATOM 378 O LYS A 24 -0.332 -5.439 -14.051 1.00 73.03 O ATOM 379 CB LYS A 24 0.472 -7.418 -15.850 1.00 41.14 C ATOM 380 CG LYS A 24 1.119 -8.549 -16.676 1.00 54.14 C ATOM 381 CD LYS A 24 0.136 -9.715 -16.920 1.00 73.22 C ATOM 382 CE LYS A 24 0.734 -10.819 -17.804 1.00 53.33 C ATOM 383 NZ LYS A 24 -0.246 -11.909 -18.078 1.00 61.35 N ATOM 0 H LYS A 24 2.325 -7.066 -13.934 1.00 65.33 H new ATOM 0 HA LYS A 24 1.707 -5.788 -16.542 1.00 75.14 H new ATOM 0 HB2 LYS A 24 0.155 -7.828 -14.891 1.00 41.14 H new ATOM 0 HB3 LYS A 24 -0.427 -7.083 -16.367 1.00 41.14 H new ATOM 0 HG2 LYS A 24 1.457 -8.152 -17.633 1.00 54.14 H new ATOM 0 HG3 LYS A 24 2.002 -8.920 -16.155 1.00 54.14 H new ATOM 0 HD2 LYS A 24 -0.159 -10.143 -15.962 1.00 73.22 H new ATOM 0 HD3 LYS A 24 -0.769 -9.330 -17.389 1.00 73.22 H new ATOM 0 HE2 LYS A 24 1.068 -10.387 -18.747 1.00 53.33 H new ATOM 0 HE3 LYS A 24 1.614 -11.237 -17.316 1.00 53.33 H new ATOM 0 HZ1 LYS A 24 0.199 -12.633 -18.678 1.00 61.35 H new ATOM 0 HZ2 LYS A 24 -0.546 -12.340 -17.180 1.00 61.35 H new ATOM 0 HZ3 LYS A 24 -1.075 -11.516 -18.567 1.00 61.35 H new ATOM 397 N GLU A 25 0.920 -3.835 -15.055 1.00 53.22 N ATOM 398 CA GLU A 25 0.170 -2.710 -14.445 1.00 63.41 C ATOM 399 C GLU A 25 -1.183 -2.488 -15.140 1.00 45.14 C ATOM 400 O GLU A 25 -1.982 -1.650 -14.699 1.00 10.24 O ATOM 401 CB GLU A 25 1.001 -1.412 -14.417 1.00 12.04 C ATOM 402 CG GLU A 25 1.537 -0.926 -15.776 1.00 5.42 C ATOM 403 CD GLU A 25 2.362 0.374 -15.651 1.00 25.12 C ATOM 404 OE1 GLU A 25 1.765 1.473 -15.684 1.00 21.41 O ATOM 405 OE2 GLU A 25 3.595 0.300 -15.461 1.00 34.54 O ATOM 0 H GLU A 25 1.702 -3.549 -15.644 1.00 53.22 H new ATOM 0 HA GLU A 25 -0.031 -2.989 -13.411 1.00 63.41 H new ATOM 0 HB2 GLU A 25 0.388 -0.620 -13.986 1.00 12.04 H new ATOM 0 HB3 GLU A 25 1.848 -1.560 -13.747 1.00 12.04 H new ATOM 0 HG2 GLU A 25 2.157 -1.706 -16.219 1.00 5.42 H new ATOM 0 HG3 GLU A 25 0.701 -0.759 -16.455 1.00 5.42 H new ATOM 412 N ASP A 26 -1.434 -3.261 -16.213 1.00 73.43 N ATOM 413 CA ASP A 26 -2.723 -3.275 -16.903 1.00 24.51 C ATOM 414 C ASP A 26 -3.797 -3.951 -16.024 1.00 24.53 C ATOM 415 O ASP A 26 -4.978 -3.598 -16.069 1.00 61.40 O ATOM 416 CB ASP A 26 -2.599 -4.018 -18.259 1.00 0.51 C ATOM 417 CG ASP A 26 -1.529 -3.417 -19.186 1.00 21.41 C ATOM 418 OD1 ASP A 26 -1.780 -2.340 -19.778 1.00 21.21 O ATOM 419 OD2 ASP A 26 -0.432 -4.010 -19.325 1.00 20.44 O ATOM 0 H ASP A 26 -0.744 -3.891 -16.621 1.00 73.43 H new ATOM 0 HA ASP A 26 -3.025 -2.245 -17.093 1.00 24.51 H new ATOM 0 HB2 ASP A 26 -2.361 -5.065 -18.071 1.00 0.51 H new ATOM 0 HB3 ASP A 26 -3.563 -3.997 -18.767 1.00 0.51 H new ATOM 424 N GLU A 27 -3.346 -4.937 -15.226 1.00 32.41 N ATOM 425 CA GLU A 27 -4.189 -5.683 -14.265 1.00 71.14 C ATOM 426 C GLU A 27 -4.367 -4.857 -12.981 1.00 50.33 C ATOM 427 O GLU A 27 -5.434 -4.843 -12.353 1.00 71.45 O ATOM 428 CB GLU A 27 -3.513 -7.045 -13.948 1.00 24.11 C ATOM 429 CG GLU A 27 -3.070 -7.849 -15.185 1.00 23.01 C ATOM 430 CD GLU A 27 -4.213 -8.236 -16.133 1.00 52.23 C ATOM 431 OE1 GLU A 27 -4.815 -9.310 -15.942 1.00 13.34 O ATOM 432 OE2 GLU A 27 -4.492 -7.486 -17.097 1.00 72.54 O ATOM 0 H GLU A 27 -2.373 -5.244 -15.229 1.00 32.41 H new ATOM 0 HA GLU A 27 -5.173 -5.865 -14.697 1.00 71.14 H new ATOM 0 HB2 GLU A 27 -2.642 -6.865 -13.318 1.00 24.11 H new ATOM 0 HB3 GLU A 27 -4.207 -7.652 -13.366 1.00 24.11 H new ATOM 0 HG2 GLU A 27 -2.337 -7.264 -15.740 1.00 23.01 H new ATOM 0 HG3 GLU A 27 -2.567 -8.757 -14.852 1.00 23.01 H new ATOM 439 N LEU A 28 -3.284 -4.166 -12.629 1.00 2.14 N ATOM 440 CA LEU A 28 -3.206 -3.257 -11.487 1.00 25.35 C ATOM 441 C LEU A 28 -4.063 -1.995 -11.717 1.00 64.44 C ATOM 442 O LEU A 28 -4.134 -1.479 -12.834 1.00 64.25 O ATOM 443 CB LEU A 28 -1.736 -2.852 -11.313 1.00 2.21 C ATOM 444 CG LEU A 28 -1.427 -1.743 -10.260 1.00 42.34 C ATOM 445 CD1 LEU A 28 -1.296 -2.297 -8.827 1.00 11.31 C ATOM 446 CD2 LEU A 28 -0.206 -0.925 -10.694 1.00 62.23 C ATOM 0 H LEU A 28 -2.408 -4.226 -13.148 1.00 2.14 H new ATOM 0 HA LEU A 28 -3.586 -3.758 -10.597 1.00 25.35 H new ATOM 0 HB2 LEU A 28 -1.169 -3.743 -11.043 1.00 2.21 H new ATOM 0 HB3 LEU A 28 -1.361 -2.516 -12.279 1.00 2.21 H new ATOM 0 HG LEU A 28 -2.284 -1.071 -10.224 1.00 42.34 H new ATOM 0 HD11 LEU A 28 -1.081 -1.479 -8.139 1.00 11.31 H new ATOM 0 HD12 LEU A 28 -2.229 -2.780 -8.537 1.00 11.31 H new ATOM 0 HD13 LEU A 28 -0.485 -3.024 -8.791 1.00 11.31 H new ATOM 0 HD21 LEU A 28 -0.001 -0.155 -9.951 1.00 62.23 H new ATOM 0 HD22 LEU A 28 0.659 -1.582 -10.783 1.00 62.23 H new ATOM 0 HD23 LEU A 28 -0.406 -0.456 -11.657 1.00 62.23 H new ATOM 458 N ASP A 29 -4.662 -1.502 -10.632 1.00 61.12 N ATOM 459 CA ASP A 29 -5.388 -0.218 -10.593 1.00 23.15 C ATOM 460 C ASP A 29 -5.293 0.334 -9.157 1.00 23.42 C ATOM 461 O ASP A 29 -4.671 -0.296 -8.284 1.00 22.42 O ATOM 462 CB ASP A 29 -6.871 -0.432 -11.018 1.00 1.10 C ATOM 463 CG ASP A 29 -7.634 0.873 -11.293 1.00 21.15 C ATOM 464 OD1 ASP A 29 -7.410 1.484 -12.350 1.00 4.11 O ATOM 465 OD2 ASP A 29 -8.401 1.325 -10.429 1.00 14.33 O ATOM 0 H ASP A 29 -4.660 -1.988 -9.735 1.00 61.12 H new ATOM 0 HA ASP A 29 -4.949 0.497 -11.289 1.00 23.15 H new ATOM 0 HB2 ASP A 29 -6.896 -1.052 -11.914 1.00 1.10 H new ATOM 0 HB3 ASP A 29 -7.387 -0.985 -10.233 1.00 1.10 H new ATOM 470 N ASP A 30 -5.882 1.516 -8.928 1.00 14.30 N ATOM 471 CA ASP A 30 -6.078 2.074 -7.589 1.00 64.01 C ATOM 472 C ASP A 30 -6.998 1.167 -6.746 1.00 13.21 C ATOM 473 O ASP A 30 -6.688 0.836 -5.609 1.00 33.32 O ATOM 474 CB ASP A 30 -6.669 3.511 -7.693 1.00 64.35 C ATOM 475 CG ASP A 30 -7.203 4.060 -6.351 1.00 41.35 C ATOM 476 OD1 ASP A 30 -6.399 4.541 -5.527 1.00 54.11 O ATOM 477 OD2 ASP A 30 -8.423 3.968 -6.103 1.00 32.01 O ATOM 0 H ASP A 30 -6.237 2.114 -9.674 1.00 14.30 H new ATOM 0 HA ASP A 30 -5.111 2.127 -7.089 1.00 64.01 H new ATOM 0 HB2 ASP A 30 -5.900 4.184 -8.071 1.00 64.35 H new ATOM 0 HB3 ASP A 30 -7.478 3.510 -8.423 1.00 64.35 H new ATOM 482 N GLN A 31 -8.123 0.758 -7.328 1.00 34.31 N ATOM 483 CA GLN A 31 -9.196 0.055 -6.587 1.00 24.50 C ATOM 484 C GLN A 31 -9.275 -1.437 -6.914 1.00 73.01 C ATOM 485 O GLN A 31 -10.199 -2.122 -6.458 1.00 53.35 O ATOM 486 CB GLN A 31 -10.545 0.775 -6.825 1.00 11.04 C ATOM 487 CG GLN A 31 -10.887 1.025 -8.301 1.00 50.41 C ATOM 488 CD GLN A 31 -12.103 1.934 -8.508 1.00 11.32 C ATOM 489 OE1 GLN A 31 -13.023 1.967 -7.688 1.00 33.32 O ATOM 490 NE2 GLN A 31 -12.114 2.679 -9.606 1.00 3.43 N ATOM 0 H GLN A 31 -8.327 0.897 -8.318 1.00 34.31 H new ATOM 0 HA GLN A 31 -8.952 0.099 -5.525 1.00 24.50 H new ATOM 0 HB2 GLN A 31 -11.342 0.182 -6.377 1.00 11.04 H new ATOM 0 HB3 GLN A 31 -10.528 1.732 -6.303 1.00 11.04 H new ATOM 0 HG2 GLN A 31 -10.023 1.471 -8.794 1.00 50.41 H new ATOM 0 HG3 GLN A 31 -11.073 0.068 -8.788 1.00 50.41 H new ATOM 0 HE21 GLN A 31 -11.337 2.628 -10.265 1.00 3.43 H new ATOM 0 HE22 GLN A 31 -12.900 3.303 -9.791 1.00 3.43 H new ATOM 499 N THR A 32 -8.296 -1.947 -7.669 1.00 10.44 N ATOM 500 CA THR A 32 -8.119 -3.408 -7.822 1.00 54.30 C ATOM 501 C THR A 32 -7.625 -4.005 -6.477 1.00 33.32 C ATOM 502 O THR A 32 -6.588 -3.559 -5.976 1.00 51.04 O ATOM 503 CB THR A 32 -7.112 -3.780 -8.961 1.00 14.11 C ATOM 504 OG1 THR A 32 -7.625 -3.336 -10.223 1.00 54.52 O ATOM 505 CG2 THR A 32 -6.828 -5.296 -9.041 1.00 61.33 C ATOM 0 H THR A 32 -7.618 -1.383 -8.181 1.00 10.44 H new ATOM 0 HA THR A 32 -9.086 -3.827 -8.100 1.00 54.30 H new ATOM 0 HB THR A 32 -6.172 -3.281 -8.725 1.00 14.11 H new ATOM 0 HG1 THR A 32 -6.992 -3.569 -10.934 1.00 54.52 H new ATOM 0 HG21 THR A 32 -6.123 -5.492 -9.849 1.00 61.33 H new ATOM 0 HG22 THR A 32 -6.402 -5.637 -8.097 1.00 61.33 H new ATOM 0 HG23 THR A 32 -7.758 -5.831 -9.233 1.00 61.33 H new ATOM 513 N PRO A 33 -8.366 -5.005 -5.880 1.00 73.25 N ATOM 514 CA PRO A 33 -7.991 -5.640 -4.589 1.00 62.21 C ATOM 515 C PRO A 33 -6.662 -6.431 -4.668 1.00 1.13 C ATOM 516 O PRO A 33 -6.591 -7.494 -5.282 1.00 1.44 O ATOM 517 CB PRO A 33 -9.195 -6.556 -4.269 1.00 43.23 C ATOM 518 CG PRO A 33 -9.865 -6.801 -5.580 1.00 71.54 C ATOM 519 CD PRO A 33 -9.646 -5.560 -6.403 1.00 73.13 C ATOM 0 HA PRO A 33 -7.802 -4.901 -3.810 1.00 62.21 H new ATOM 0 HB2 PRO A 33 -8.868 -7.491 -3.814 1.00 43.23 H new ATOM 0 HB3 PRO A 33 -9.875 -6.079 -3.563 1.00 43.23 H new ATOM 0 HG2 PRO A 33 -9.443 -7.676 -6.075 1.00 71.54 H new ATOM 0 HG3 PRO A 33 -10.929 -6.994 -5.443 1.00 71.54 H new ATOM 0 HD2 PRO A 33 -9.576 -5.792 -7.466 1.00 73.13 H new ATOM 0 HD3 PRO A 33 -10.466 -4.852 -6.285 1.00 73.13 H new ATOM 527 N LEU A 34 -5.626 -5.891 -4.016 1.00 71.41 N ATOM 528 CA LEU A 34 -4.264 -6.449 -4.032 1.00 44.53 C ATOM 529 C LEU A 34 -4.216 -7.842 -3.375 1.00 44.53 C ATOM 530 O LEU A 34 -3.689 -8.779 -3.978 1.00 3.11 O ATOM 531 CB LEU A 34 -3.254 -5.482 -3.346 1.00 63.43 C ATOM 532 CG LEU A 34 -2.922 -4.119 -4.061 1.00 73.11 C ATOM 533 CD1 LEU A 34 -2.391 -4.325 -5.496 1.00 3.21 C ATOM 534 CD2 LEU A 34 -4.103 -3.145 -4.049 1.00 30.04 C ATOM 0 H LEU A 34 -5.708 -5.043 -3.455 1.00 71.41 H new ATOM 0 HA LEU A 34 -3.972 -6.563 -5.076 1.00 44.53 H new ATOM 0 HB2 LEU A 34 -3.637 -5.251 -2.352 1.00 63.43 H new ATOM 0 HB3 LEU A 34 -2.317 -6.022 -3.209 1.00 63.43 H new ATOM 0 HG LEU A 34 -2.123 -3.665 -3.476 1.00 73.11 H new ATOM 0 HD11 LEU A 34 -2.177 -3.356 -5.947 1.00 3.21 H new ATOM 0 HD12 LEU A 34 -1.479 -4.921 -5.464 1.00 3.21 H new ATOM 0 HD13 LEU A 34 -3.142 -4.844 -6.091 1.00 3.21 H new ATOM 0 HD21 LEU A 34 -3.819 -2.222 -4.555 1.00 30.04 H new ATOM 0 HD22 LEU A 34 -4.951 -3.595 -4.565 1.00 30.04 H new ATOM 0 HD23 LEU A 34 -4.381 -2.923 -3.019 1.00 30.04 H new ATOM 546 N LEU A 35 -4.772 -7.991 -2.147 1.00 43.24 N ATOM 547 CA LEU A 35 -4.700 -9.296 -1.419 1.00 43.53 C ATOM 548 C LEU A 35 -5.483 -10.398 -2.143 1.00 53.14 C ATOM 549 O LEU A 35 -5.025 -11.542 -2.193 1.00 21.22 O ATOM 550 CB LEU A 35 -5.193 -9.228 0.050 1.00 2.43 C ATOM 551 CG LEU A 35 -4.383 -8.298 1.007 1.00 63.41 C ATOM 552 CD1 LEU A 35 -4.910 -6.861 0.966 1.00 72.53 C ATOM 553 CD2 LEU A 35 -4.340 -8.856 2.447 1.00 40.24 C ATOM 0 H LEU A 35 -5.263 -7.251 -1.646 1.00 43.24 H new ATOM 0 HA LEU A 35 -3.637 -9.536 -1.405 1.00 43.53 H new ATOM 0 HB2 LEU A 35 -6.231 -8.896 0.048 1.00 2.43 H new ATOM 0 HB3 LEU A 35 -5.182 -10.237 0.462 1.00 2.43 H new ATOM 0 HG LEU A 35 -3.354 -8.275 0.647 1.00 63.41 H new ATOM 0 HD11 LEU A 35 -4.325 -6.239 1.643 1.00 72.53 H new ATOM 0 HD12 LEU A 35 -4.826 -6.471 -0.048 1.00 72.53 H new ATOM 0 HD13 LEU A 35 -5.956 -6.848 1.274 1.00 72.53 H new ATOM 0 HD21 LEU A 35 -3.767 -8.180 3.082 1.00 40.24 H new ATOM 0 HD22 LEU A 35 -5.355 -8.944 2.834 1.00 40.24 H new ATOM 0 HD23 LEU A 35 -3.867 -9.838 2.443 1.00 40.24 H new ATOM 565 N GLU A 36 -6.659 -10.029 -2.689 1.00 42.53 N ATOM 566 CA GLU A 36 -7.516 -10.950 -3.460 1.00 44.34 C ATOM 567 C GLU A 36 -6.767 -11.469 -4.699 1.00 33.25 C ATOM 568 O GLU A 36 -6.941 -12.620 -5.103 1.00 51.25 O ATOM 569 CB GLU A 36 -8.834 -10.252 -3.890 1.00 14.52 C ATOM 570 CG GLU A 36 -9.789 -11.155 -4.690 1.00 35.54 C ATOM 571 CD GLU A 36 -11.041 -10.422 -5.190 1.00 2.51 C ATOM 572 OE1 GLU A 36 -11.006 -9.844 -6.296 1.00 53.51 O ATOM 573 OE2 GLU A 36 -12.066 -10.418 -4.478 1.00 4.41 O ATOM 0 H GLU A 36 -7.040 -9.086 -2.608 1.00 42.53 H new ATOM 0 HA GLU A 36 -7.767 -11.794 -2.818 1.00 44.34 H new ATOM 0 HB2 GLU A 36 -9.350 -9.893 -3.000 1.00 14.52 H new ATOM 0 HB3 GLU A 36 -8.590 -9.376 -4.491 1.00 14.52 H new ATOM 0 HG2 GLU A 36 -9.255 -11.571 -5.544 1.00 35.54 H new ATOM 0 HG3 GLU A 36 -10.093 -11.994 -4.065 1.00 35.54 H new ATOM 580 N TRP A 37 -5.896 -10.611 -5.265 1.00 74.31 N ATOM 581 CA TRP A 37 -5.113 -10.959 -6.470 1.00 75.23 C ATOM 582 C TRP A 37 -3.758 -11.581 -6.078 1.00 54.22 C ATOM 583 O TRP A 37 -2.874 -11.740 -6.929 1.00 72.03 O ATOM 584 CB TRP A 37 -4.954 -9.708 -7.380 1.00 11.04 C ATOM 585 CG TRP A 37 -6.224 -9.327 -8.130 1.00 12.13 C ATOM 586 CD1 TRP A 37 -7.480 -9.148 -7.610 1.00 40.43 C ATOM 587 CD2 TRP A 37 -6.351 -9.086 -9.541 1.00 63.01 C ATOM 588 NE1 TRP A 37 -8.364 -8.812 -8.598 1.00 53.41 N ATOM 589 CE2 TRP A 37 -7.697 -8.765 -9.792 1.00 63.21 C ATOM 590 CE3 TRP A 37 -5.452 -9.108 -10.612 1.00 61.23 C ATOM 591 CZ2 TRP A 37 -8.166 -8.467 -11.068 1.00 64.05 C ATOM 592 CZ3 TRP A 37 -5.923 -8.815 -11.880 1.00 3.22 C ATOM 593 CH2 TRP A 37 -7.265 -8.497 -12.099 1.00 22.34 C ATOM 0 H TRP A 37 -5.716 -9.672 -4.908 1.00 74.31 H new ATOM 0 HA TRP A 37 -5.649 -11.714 -7.045 1.00 75.23 H new ATOM 0 HB2 TRP A 37 -4.637 -8.863 -6.768 1.00 11.04 H new ATOM 0 HB3 TRP A 37 -4.159 -9.894 -8.102 1.00 11.04 H new ATOM 0 HD1 TRP A 37 -7.735 -9.257 -6.566 1.00 40.43 H new ATOM 0 HE1 TRP A 37 -9.358 -8.627 -8.466 1.00 53.41 H new ATOM 0 HE3 TRP A 37 -4.411 -9.349 -10.453 1.00 61.23 H new ATOM 0 HZ2 TRP A 37 -9.204 -8.221 -11.239 1.00 64.05 H new ATOM 0 HZ3 TRP A 37 -5.240 -8.833 -12.716 1.00 3.22 H new ATOM 0 HH2 TRP A 37 -7.599 -8.270 -13.101 1.00 22.34 H new ATOM 604 N GLY A 38 -3.617 -11.951 -4.780 1.00 40.51 N ATOM 605 CA GLY A 38 -2.444 -12.670 -4.269 1.00 54.02 C ATOM 606 C GLY A 38 -1.159 -11.859 -4.328 1.00 63.44 C ATOM 607 O GLY A 38 -0.056 -12.420 -4.384 1.00 71.02 O ATOM 0 H GLY A 38 -4.319 -11.755 -4.066 1.00 40.51 H new ATOM 0 HA2 GLY A 38 -2.631 -12.965 -3.236 1.00 54.02 H new ATOM 0 HA3 GLY A 38 -2.312 -13.587 -4.843 1.00 54.02 H new ATOM 611 N ILE A 39 -1.310 -10.533 -4.316 1.00 2.43 N ATOM 612 CA ILE A 39 -0.205 -9.585 -4.432 1.00 51.11 C ATOM 613 C ILE A 39 0.395 -9.309 -3.043 1.00 44.43 C ATOM 614 O ILE A 39 1.613 -9.242 -2.887 1.00 15.21 O ATOM 615 CB ILE A 39 -0.729 -8.268 -5.122 1.00 51.10 C ATOM 616 CG1 ILE A 39 -1.192 -8.574 -6.595 1.00 65.33 C ATOM 617 CG2 ILE A 39 0.316 -7.146 -5.068 1.00 5.54 C ATOM 618 CD1 ILE A 39 -1.775 -7.398 -7.364 1.00 44.43 C ATOM 0 H ILE A 39 -2.220 -10.082 -4.224 1.00 2.43 H new ATOM 0 HA ILE A 39 0.590 -10.001 -5.051 1.00 51.11 H new ATOM 0 HB ILE A 39 -1.594 -7.909 -4.565 1.00 51.10 H new ATOM 0 HG12 ILE A 39 -0.338 -8.960 -7.151 1.00 65.33 H new ATOM 0 HG13 ILE A 39 -1.937 -9.369 -6.564 1.00 65.33 H new ATOM 0 HG21 ILE A 39 -0.082 -6.255 -5.553 1.00 5.54 H new ATOM 0 HG22 ILE A 39 0.552 -6.918 -4.028 1.00 5.54 H new ATOM 0 HG23 ILE A 39 1.221 -7.467 -5.584 1.00 5.54 H new ATOM 0 HD11 ILE A 39 -2.060 -7.723 -8.365 1.00 44.43 H new ATOM 0 HD12 ILE A 39 -2.654 -7.021 -6.841 1.00 44.43 H new ATOM 0 HD13 ILE A 39 -1.030 -6.606 -7.438 1.00 44.43 H new ATOM 630 N LEU A 40 -0.487 -9.162 -2.040 1.00 44.24 N ATOM 631 CA LEU A 40 -0.088 -8.932 -0.636 1.00 60.33 C ATOM 632 C LEU A 40 -0.409 -10.184 0.190 1.00 44.30 C ATOM 633 O LEU A 40 -1.585 -10.515 0.372 1.00 42.31 O ATOM 634 CB LEU A 40 -0.841 -7.703 -0.065 1.00 63.25 C ATOM 635 CG LEU A 40 -0.786 -6.409 -0.923 1.00 64.42 C ATOM 636 CD1 LEU A 40 -1.541 -5.257 -0.243 1.00 32.52 C ATOM 637 CD2 LEU A 40 0.658 -6.016 -1.273 1.00 33.44 C ATOM 0 H LEU A 40 -1.497 -9.199 -2.177 1.00 44.24 H new ATOM 0 HA LEU A 40 0.983 -8.733 -0.588 1.00 60.33 H new ATOM 0 HB2 LEU A 40 -1.887 -7.977 0.077 1.00 63.25 H new ATOM 0 HB3 LEU A 40 -0.434 -7.479 0.921 1.00 63.25 H new ATOM 0 HG LEU A 40 -1.292 -6.621 -1.865 1.00 64.42 H new ATOM 0 HD11 LEU A 40 -1.484 -4.366 -0.868 1.00 32.52 H new ATOM 0 HD12 LEU A 40 -2.585 -5.538 -0.105 1.00 32.52 H new ATOM 0 HD13 LEU A 40 -1.090 -5.049 0.727 1.00 32.52 H new ATOM 0 HD21 LEU A 40 0.652 -5.106 -1.873 1.00 33.44 H new ATOM 0 HD22 LEU A 40 1.220 -5.842 -0.356 1.00 33.44 H new ATOM 0 HD23 LEU A 40 1.127 -6.821 -1.839 1.00 33.44 H new ATOM 649 N ASN A 41 0.639 -10.881 0.650 1.00 33.15 N ATOM 650 CA ASN A 41 0.512 -12.173 1.360 1.00 42.12 C ATOM 651 C ASN A 41 0.815 -12.012 2.854 1.00 54.32 C ATOM 652 O ASN A 41 -0.101 -12.033 3.672 1.00 40.04 O ATOM 653 CB ASN A 41 1.446 -13.271 0.747 1.00 51.41 C ATOM 654 CG ASN A 41 1.137 -13.685 -0.701 1.00 4.01 C ATOM 655 OD1 ASN A 41 0.787 -12.732 -1.562 1.00 12.52 O flip ATOM 656 ND2 ASN A 41 1.257 -14.861 -1.061 1.00 61.03 N flip ATOM 0 H ASN A 41 1.604 -10.569 0.543 1.00 33.15 H new ATOM 0 HA ASN A 41 -0.521 -12.499 1.238 1.00 42.12 H new ATOM 0 HB2 ASN A 41 2.474 -12.911 0.790 1.00 51.41 H new ATOM 0 HB3 ASN A 41 1.393 -14.159 1.377 1.00 51.41 H new ATOM 0 HD21 ASN A 41 1.526 -15.576 -0.385 1.00 61.03 H new ATOM 0 HD22 ASN A 41 1.087 -15.116 -2.034 1.00 61.03 H new ATOM 663 N SER A 42 2.102 -11.830 3.215 1.00 25.04 N ATOM 664 CA SER A 42 2.543 -11.992 4.615 1.00 41.42 C ATOM 665 C SER A 42 3.833 -11.230 4.900 1.00 62.51 C ATOM 666 O SER A 42 3.833 -10.303 5.694 1.00 33.33 O ATOM 667 CB SER A 42 2.764 -13.494 4.899 1.00 14.44 C ATOM 668 OG SER A 42 3.065 -13.752 6.257 1.00 50.14 O ATOM 0 H SER A 42 2.846 -11.574 2.565 1.00 25.04 H new ATOM 0 HA SER A 42 1.768 -11.584 5.263 1.00 41.42 H new ATOM 0 HB2 SER A 42 1.869 -14.049 4.617 1.00 14.44 H new ATOM 0 HB3 SER A 42 3.577 -13.862 4.274 1.00 14.44 H new ATOM 0 HG SER A 42 3.194 -14.715 6.386 1.00 50.14 H new ATOM 673 N MET A 43 4.943 -11.658 4.281 1.00 74.31 N ATOM 674 CA MET A 43 6.279 -11.064 4.508 1.00 21.14 C ATOM 675 C MET A 43 6.602 -10.016 3.455 1.00 13.13 C ATOM 676 O MET A 43 7.505 -9.198 3.635 1.00 24.22 O ATOM 677 CB MET A 43 7.349 -12.189 4.537 1.00 32.54 C ATOM 678 CG MET A 43 7.151 -13.248 5.649 1.00 51.12 C ATOM 679 SD MET A 43 7.404 -12.619 7.340 1.00 21.45 S ATOM 680 CE MET A 43 5.838 -11.838 7.774 1.00 32.31 C ATOM 0 H MET A 43 4.945 -12.425 3.608 1.00 74.31 H new ATOM 0 HA MET A 43 6.281 -10.555 5.472 1.00 21.14 H new ATOM 0 HB2 MET A 43 7.351 -12.694 3.571 1.00 32.54 H new ATOM 0 HB3 MET A 43 8.331 -11.733 4.660 1.00 32.54 H new ATOM 0 HG2 MET A 43 6.142 -13.654 5.572 1.00 51.12 H new ATOM 0 HG3 MET A 43 7.841 -14.074 5.474 1.00 51.12 H new ATOM 0 HE1 MET A 43 5.639 -11.987 8.835 1.00 32.31 H new ATOM 0 HE2 MET A 43 5.892 -10.770 7.561 1.00 32.31 H new ATOM 0 HE3 MET A 43 5.034 -12.284 7.188 1.00 32.31 H new ATOM 690 N ASN A 44 5.832 -10.037 2.368 1.00 73.45 N ATOM 691 CA ASN A 44 5.965 -9.084 1.265 1.00 11.24 C ATOM 692 C ASN A 44 5.072 -7.849 1.515 1.00 13.23 C ATOM 693 O ASN A 44 5.397 -6.744 1.100 1.00 32.42 O ATOM 694 CB ASN A 44 5.643 -9.780 -0.081 1.00 22.41 C ATOM 695 CG ASN A 44 4.186 -10.205 -0.256 1.00 44.41 C ATOM 696 OD1 ASN A 44 3.474 -10.468 0.711 1.00 23.41 O ATOM 697 ND2 ASN A 44 3.735 -10.291 -1.500 1.00 65.44 N ATOM 0 H ASN A 44 5.090 -10.723 2.226 1.00 73.45 H new ATOM 0 HA ASN A 44 6.995 -8.731 1.210 1.00 11.24 H new ATOM 0 HB2 ASN A 44 5.909 -9.105 -0.895 1.00 22.41 H new ATOM 0 HB3 ASN A 44 6.277 -10.661 -0.178 1.00 22.41 H new ATOM 0 HD21 ASN A 44 2.773 -10.582 -1.675 1.00 65.44 H new ATOM 0 HD22 ASN A 44 4.350 -10.066 -2.282 1.00 65.44 H new ATOM 704 N ILE A 45 3.961 -8.049 2.241 1.00 20.32 N ATOM 705 CA ILE A 45 3.049 -6.954 2.659 1.00 74.21 C ATOM 706 C ILE A 45 3.755 -6.019 3.684 1.00 62.13 C ATOM 707 O ILE A 45 3.372 -4.864 3.883 1.00 3.24 O ATOM 708 CB ILE A 45 1.732 -7.554 3.275 1.00 34.21 C ATOM 709 CG1 ILE A 45 0.582 -6.506 3.347 1.00 44.11 C ATOM 710 CG2 ILE A 45 1.990 -8.168 4.672 1.00 12.32 C ATOM 711 CD1 ILE A 45 -0.684 -7.047 3.975 1.00 75.43 C ATOM 0 H ILE A 45 3.663 -8.971 2.559 1.00 20.32 H new ATOM 0 HA ILE A 45 2.786 -6.363 1.782 1.00 74.21 H new ATOM 0 HB ILE A 45 1.411 -8.349 2.602 1.00 34.21 H new ATOM 0 HG12 ILE A 45 0.922 -5.643 3.919 1.00 44.11 H new ATOM 0 HG13 ILE A 45 0.358 -6.154 2.340 1.00 44.11 H new ATOM 0 HG21 ILE A 45 1.059 -8.573 5.069 1.00 12.32 H new ATOM 0 HG22 ILE A 45 2.727 -8.967 4.588 1.00 12.32 H new ATOM 0 HG23 ILE A 45 2.366 -7.397 5.345 1.00 12.32 H new ATOM 0 HD11 ILE A 45 -1.444 -6.265 3.994 1.00 75.43 H new ATOM 0 HD12 ILE A 45 -1.047 -7.892 3.391 1.00 75.43 H new ATOM 0 HD13 ILE A 45 -0.474 -7.373 4.994 1.00 75.43 H new ATOM 723 N VAL A 46 4.809 -6.568 4.308 1.00 31.54 N ATOM 724 CA VAL A 46 5.655 -5.884 5.300 1.00 53.12 C ATOM 725 C VAL A 46 6.597 -4.865 4.610 1.00 52.21 C ATOM 726 O VAL A 46 7.072 -3.908 5.232 1.00 31.21 O ATOM 727 CB VAL A 46 6.461 -6.955 6.124 1.00 5.15 C ATOM 728 CG1 VAL A 46 7.351 -6.314 7.210 1.00 62.15 C ATOM 729 CG2 VAL A 46 5.485 -7.979 6.746 1.00 11.12 C ATOM 0 H VAL A 46 5.105 -7.528 4.131 1.00 31.54 H new ATOM 0 HA VAL A 46 5.025 -5.320 5.988 1.00 53.12 H new ATOM 0 HB VAL A 46 7.132 -7.468 5.435 1.00 5.15 H new ATOM 0 HG11 VAL A 46 7.886 -7.095 7.750 1.00 62.15 H new ATOM 0 HG12 VAL A 46 8.069 -5.640 6.741 1.00 62.15 H new ATOM 0 HG13 VAL A 46 6.728 -5.753 7.907 1.00 62.15 H new ATOM 0 HG21 VAL A 46 6.048 -8.719 7.316 1.00 11.12 H new ATOM 0 HG22 VAL A 46 4.790 -7.463 7.408 1.00 11.12 H new ATOM 0 HG23 VAL A 46 4.928 -8.479 5.953 1.00 11.12 H new ATOM 739 N LYS A 47 6.821 -5.071 3.302 1.00 13.33 N ATOM 740 CA LYS A 47 7.563 -4.116 2.447 1.00 71.40 C ATOM 741 C LYS A 47 6.829 -2.772 2.381 1.00 23.04 C ATOM 742 O LYS A 47 7.458 -1.726 2.237 1.00 3.11 O ATOM 743 CB LYS A 47 7.788 -4.698 1.014 1.00 53.55 C ATOM 744 CG LYS A 47 8.982 -5.669 0.902 1.00 15.24 C ATOM 745 CD LYS A 47 8.886 -6.870 1.866 1.00 32.15 C ATOM 746 CE LYS A 47 10.177 -7.693 1.929 1.00 40.43 C ATOM 747 NZ LYS A 47 11.321 -6.883 2.406 1.00 62.35 N ATOM 0 H LYS A 47 6.496 -5.900 2.804 1.00 13.33 H new ATOM 0 HA LYS A 47 8.543 -3.952 2.895 1.00 71.40 H new ATOM 0 HB2 LYS A 47 6.882 -5.217 0.699 1.00 53.55 H new ATOM 0 HB3 LYS A 47 7.940 -3.872 0.319 1.00 53.55 H new ATOM 0 HG2 LYS A 47 9.046 -6.038 -0.122 1.00 15.24 H new ATOM 0 HG3 LYS A 47 9.904 -5.124 1.103 1.00 15.24 H new ATOM 0 HD2 LYS A 47 8.643 -6.508 2.865 1.00 32.15 H new ATOM 0 HD3 LYS A 47 8.065 -7.515 1.553 1.00 32.15 H new ATOM 0 HE2 LYS A 47 10.033 -8.545 2.593 1.00 40.43 H new ATOM 0 HE3 LYS A 47 10.402 -8.093 0.940 1.00 40.43 H new ATOM 0 HZ1 LYS A 47 12.084 -7.514 2.725 1.00 62.35 H new ATOM 0 HZ2 LYS A 47 11.669 -6.283 1.631 1.00 62.35 H new ATOM 0 HZ3 LYS A 47 11.015 -6.282 3.198 1.00 62.35 H new ATOM 761 N LEU A 48 5.490 -2.826 2.514 1.00 2.13 N ATOM 762 CA LEU A 48 4.638 -1.623 2.561 1.00 50.52 C ATOM 763 C LEU A 48 4.854 -0.846 3.869 1.00 25.24 C ATOM 764 O LEU A 48 4.836 0.377 3.840 1.00 22.42 O ATOM 765 CB LEU A 48 3.131 -1.966 2.374 1.00 31.52 C ATOM 766 CG LEU A 48 2.672 -2.352 0.920 1.00 3.11 C ATOM 767 CD1 LEU A 48 2.946 -1.194 -0.084 1.00 63.32 C ATOM 768 CD2 LEU A 48 3.313 -3.679 0.434 1.00 52.34 C ATOM 0 H LEU A 48 4.971 -3.700 2.592 1.00 2.13 H new ATOM 0 HA LEU A 48 4.936 -0.989 1.726 1.00 50.52 H new ATOM 0 HB2 LEU A 48 2.885 -2.793 3.040 1.00 31.52 H new ATOM 0 HB3 LEU A 48 2.543 -1.108 2.700 1.00 31.52 H new ATOM 0 HG LEU A 48 1.595 -2.516 0.961 1.00 3.11 H new ATOM 0 HD11 LEU A 48 2.618 -1.491 -1.080 1.00 63.32 H new ATOM 0 HD12 LEU A 48 2.399 -0.305 0.228 1.00 63.32 H new ATOM 0 HD13 LEU A 48 4.014 -0.975 -0.104 1.00 63.32 H new ATOM 0 HD21 LEU A 48 2.966 -3.903 -0.575 1.00 52.34 H new ATOM 0 HD22 LEU A 48 4.398 -3.579 0.430 1.00 52.34 H new ATOM 0 HD23 LEU A 48 3.026 -4.489 1.105 1.00 52.34 H new ATOM 780 N MET A 49 5.078 -1.561 5.002 1.00 14.23 N ATOM 781 CA MET A 49 5.330 -0.909 6.323 1.00 14.14 C ATOM 782 C MET A 49 6.500 0.092 6.221 1.00 65.03 C ATOM 783 O MET A 49 6.335 1.286 6.484 1.00 25.14 O ATOM 784 CB MET A 49 5.690 -1.931 7.441 1.00 25.24 C ATOM 785 CG MET A 49 4.663 -3.016 7.749 1.00 11.43 C ATOM 786 SD MET A 49 5.295 -4.096 9.057 1.00 64.21 S ATOM 787 CE MET A 49 4.112 -5.424 9.108 1.00 21.51 C ATOM 0 H MET A 49 5.090 -2.580 5.032 1.00 14.23 H new ATOM 0 HA MET A 49 4.400 -0.406 6.586 1.00 14.14 H new ATOM 0 HB2 MET A 49 6.625 -2.419 7.165 1.00 25.24 H new ATOM 0 HB3 MET A 49 5.880 -1.375 8.359 1.00 25.24 H new ATOM 0 HG2 MET A 49 3.722 -2.562 8.061 1.00 11.43 H new ATOM 0 HG3 MET A 49 4.454 -3.598 6.852 1.00 11.43 H new ATOM 0 HE1 MET A 49 4.621 -6.355 9.357 1.00 21.51 H new ATOM 0 HE2 MET A 49 3.357 -5.210 9.864 1.00 21.51 H new ATOM 0 HE3 MET A 49 3.633 -5.522 8.134 1.00 21.51 H new ATOM 797 N VAL A 50 7.664 -0.436 5.810 1.00 34.12 N ATOM 798 CA VAL A 50 8.924 0.335 5.704 1.00 23.40 C ATOM 799 C VAL A 50 8.874 1.353 4.534 1.00 41.43 C ATOM 800 O VAL A 50 9.524 2.408 4.597 1.00 2.41 O ATOM 801 CB VAL A 50 10.167 -0.635 5.570 1.00 53.30 C ATOM 802 CG1 VAL A 50 10.042 -1.564 4.344 1.00 55.21 C ATOM 803 CG2 VAL A 50 11.510 0.139 5.541 1.00 74.41 C ATOM 0 H VAL A 50 7.763 -1.414 5.539 1.00 34.12 H new ATOM 0 HA VAL A 50 9.041 0.908 6.624 1.00 23.40 H new ATOM 0 HB VAL A 50 10.167 -1.260 6.463 1.00 53.30 H new ATOM 0 HG11 VAL A 50 10.916 -2.213 4.289 1.00 55.21 H new ATOM 0 HG12 VAL A 50 9.143 -2.173 4.439 1.00 55.21 H new ATOM 0 HG13 VAL A 50 9.979 -0.963 3.437 1.00 55.21 H new ATOM 0 HG21 VAL A 50 12.335 -0.567 5.448 1.00 74.41 H new ATOM 0 HG22 VAL A 50 11.519 0.821 4.691 1.00 74.41 H new ATOM 0 HG23 VAL A 50 11.622 0.708 6.464 1.00 74.41 H new ATOM 813 N TYR A 51 8.065 1.048 3.496 1.00 14.22 N ATOM 814 CA TYR A 51 7.899 1.942 2.325 1.00 22.34 C ATOM 815 C TYR A 51 7.217 3.241 2.762 1.00 35.00 C ATOM 816 O TYR A 51 7.737 4.331 2.575 1.00 73.22 O ATOM 817 CB TYR A 51 7.051 1.258 1.217 1.00 30.24 C ATOM 818 CG TYR A 51 7.153 1.953 -0.150 1.00 42.20 C ATOM 819 CD1 TYR A 51 8.295 1.804 -0.935 1.00 51.34 C ATOM 820 CD2 TYR A 51 6.120 2.747 -0.651 1.00 52.41 C ATOM 821 CE1 TYR A 51 8.398 2.416 -2.164 1.00 52.43 C ATOM 822 CE2 TYR A 51 6.224 3.362 -1.881 1.00 30.54 C ATOM 823 CZ TYR A 51 7.358 3.194 -2.638 1.00 72.53 C ATOM 824 OH TYR A 51 7.455 3.809 -3.872 1.00 4.22 O ATOM 0 H TYR A 51 7.516 0.190 3.444 1.00 14.22 H new ATOM 0 HA TYR A 51 8.886 2.161 1.918 1.00 22.34 H new ATOM 0 HB2 TYR A 51 7.371 0.221 1.113 1.00 30.24 H new ATOM 0 HB3 TYR A 51 6.007 1.239 1.529 1.00 30.24 H new ATOM 0 HD1 TYR A 51 9.113 1.198 -0.573 1.00 51.34 H new ATOM 0 HD2 TYR A 51 5.223 2.882 -0.065 1.00 52.41 H new ATOM 0 HE1 TYR A 51 9.291 2.288 -2.758 1.00 52.43 H new ATOM 0 HE2 TYR A 51 5.415 3.975 -2.249 1.00 30.54 H new ATOM 0 HH TYR A 51 6.708 3.524 -4.439 1.00 4.22 H new ATOM 834 N ILE A 52 6.057 3.065 3.393 1.00 42.23 N ATOM 835 CA ILE A 52 5.196 4.154 3.873 1.00 13.33 C ATOM 836 C ILE A 52 5.872 4.919 5.023 1.00 3.11 C ATOM 837 O ILE A 52 5.672 6.130 5.176 1.00 21.23 O ATOM 838 CB ILE A 52 3.807 3.553 4.295 1.00 73.50 C ATOM 839 CG1 ILE A 52 3.144 2.862 3.054 1.00 3.51 C ATOM 840 CG2 ILE A 52 2.878 4.624 4.901 1.00 54.11 C ATOM 841 CD1 ILE A 52 2.018 1.909 3.380 1.00 73.14 C ATOM 0 H ILE A 52 5.677 2.139 3.591 1.00 42.23 H new ATOM 0 HA ILE A 52 5.032 4.879 3.075 1.00 13.33 H new ATOM 0 HB ILE A 52 3.972 2.809 5.075 1.00 73.50 H new ATOM 0 HG12 ILE A 52 2.764 3.635 2.387 1.00 3.51 H new ATOM 0 HG13 ILE A 52 3.913 2.318 2.506 1.00 3.51 H new ATOM 0 HG21 ILE A 52 1.928 4.167 5.179 1.00 54.11 H new ATOM 0 HG22 ILE A 52 3.347 5.054 5.786 1.00 54.11 H new ATOM 0 HG23 ILE A 52 2.701 5.410 4.167 1.00 54.11 H new ATOM 0 HD11 ILE A 52 1.624 1.482 2.458 1.00 73.14 H new ATOM 0 HD12 ILE A 52 2.392 1.109 4.020 1.00 73.14 H new ATOM 0 HD13 ILE A 52 1.224 2.447 3.898 1.00 73.14 H new ATOM 853 N ARG A 53 6.701 4.201 5.794 1.00 13.52 N ATOM 854 CA ARG A 53 7.540 4.793 6.857 1.00 75.23 C ATOM 855 C ARG A 53 8.577 5.785 6.278 1.00 72.22 C ATOM 856 O ARG A 53 8.997 6.723 6.964 1.00 1.34 O ATOM 857 CB ARG A 53 8.246 3.676 7.668 1.00 13.32 C ATOM 858 CG ARG A 53 9.042 4.185 8.894 1.00 1.24 C ATOM 859 CD ARG A 53 9.766 3.063 9.653 1.00 73.33 C ATOM 860 NE ARG A 53 10.504 3.584 10.817 1.00 71.11 N ATOM 861 CZ ARG A 53 10.898 2.858 11.875 1.00 54.45 C ATOM 862 NH1 ARG A 53 10.650 1.552 11.937 1.00 52.51 N ATOM 863 NH2 ARG A 53 11.548 3.454 12.864 1.00 13.40 N ATOM 0 H ARG A 53 6.812 3.191 5.701 1.00 13.52 H new ATOM 0 HA ARG A 53 6.887 5.355 7.525 1.00 75.23 H new ATOM 0 HB2 ARG A 53 7.497 2.961 8.007 1.00 13.32 H new ATOM 0 HB3 ARG A 53 8.925 3.137 7.007 1.00 13.32 H new ATOM 0 HG2 ARG A 53 9.774 4.922 8.564 1.00 1.24 H new ATOM 0 HG3 ARG A 53 8.361 4.695 9.575 1.00 1.24 H new ATOM 0 HD2 ARG A 53 9.040 2.320 9.984 1.00 73.33 H new ATOM 0 HD3 ARG A 53 10.458 2.555 8.980 1.00 73.33 H new ATOM 0 HE ARG A 53 10.734 4.578 10.819 1.00 71.11 H new ATOM 0 HH11 ARG A 53 10.155 1.090 11.174 1.00 52.51 H new ATOM 0 HH12 ARG A 53 10.955 1.013 12.747 1.00 52.51 H new ATOM 0 HH21 ARG A 53 11.744 4.454 12.816 1.00 13.40 H new ATOM 0 HH22 ARG A 53 11.852 2.913 13.673 1.00 13.40 H new ATOM 877 N ASP A 54 8.986 5.568 5.019 1.00 32.13 N ATOM 878 CA ASP A 54 9.959 6.449 4.334 1.00 33.23 C ATOM 879 C ASP A 54 9.245 7.558 3.532 1.00 55.51 C ATOM 880 O ASP A 54 9.486 8.749 3.771 1.00 75.45 O ATOM 881 CB ASP A 54 10.889 5.606 3.417 1.00 11.15 C ATOM 882 CG ASP A 54 12.098 6.394 2.887 1.00 14.30 C ATOM 883 OD1 ASP A 54 12.908 6.871 3.714 1.00 40.01 O ATOM 884 OD2 ASP A 54 12.239 6.563 1.662 1.00 70.14 O ATOM 0 H ASP A 54 8.660 4.788 4.448 1.00 32.13 H new ATOM 0 HA ASP A 54 10.570 6.940 5.092 1.00 33.23 H new ATOM 0 HB2 ASP A 54 11.245 4.738 3.972 1.00 11.15 H new ATOM 0 HB3 ASP A 54 10.311 5.230 2.573 1.00 11.15 H new ATOM 889 N GLU A 55 8.362 7.153 2.601 1.00 35.41 N ATOM 890 CA GLU A 55 7.621 8.083 1.721 1.00 63.52 C ATOM 891 C GLU A 55 6.648 8.999 2.508 1.00 43.45 C ATOM 892 O GLU A 55 6.787 10.229 2.471 1.00 41.04 O ATOM 893 CB GLU A 55 6.861 7.294 0.601 1.00 33.30 C ATOM 894 CG GLU A 55 7.705 6.927 -0.649 1.00 43.21 C ATOM 895 CD GLU A 55 9.023 6.197 -0.349 1.00 71.24 C ATOM 896 OE1 GLU A 55 8.996 4.990 -0.042 1.00 43.40 O ATOM 897 OE2 GLU A 55 10.100 6.826 -0.443 1.00 53.21 O ATOM 0 H GLU A 55 8.140 6.171 2.435 1.00 35.41 H new ATOM 0 HA GLU A 55 8.358 8.736 1.254 1.00 63.52 H new ATOM 0 HB2 GLU A 55 6.465 6.375 1.033 1.00 33.30 H new ATOM 0 HB3 GLU A 55 6.006 7.888 0.279 1.00 33.30 H new ATOM 0 HG2 GLU A 55 7.101 6.301 -1.306 1.00 43.21 H new ATOM 0 HG3 GLU A 55 7.930 7.841 -1.198 1.00 43.21 H new ATOM 904 N MET A 56 5.668 8.400 3.202 1.00 44.02 N ATOM 905 CA MET A 56 4.651 9.160 3.975 1.00 21.13 C ATOM 906 C MET A 56 5.120 9.424 5.414 1.00 23.51 C ATOM 907 O MET A 56 4.440 10.126 6.169 1.00 70.13 O ATOM 908 CB MET A 56 3.280 8.420 3.963 1.00 73.51 C ATOM 909 CG MET A 56 2.496 8.579 2.652 1.00 41.00 C ATOM 910 SD MET A 56 3.420 8.051 1.197 1.00 60.51 S ATOM 911 CE MET A 56 3.372 6.271 1.334 1.00 13.52 C ATOM 0 H MET A 56 5.551 7.388 3.249 1.00 44.02 H new ATOM 0 HA MET A 56 4.521 10.127 3.489 1.00 21.13 H new ATOM 0 HB2 MET A 56 3.450 7.359 4.146 1.00 73.51 H new ATOM 0 HB3 MET A 56 2.670 8.792 4.786 1.00 73.51 H new ATOM 0 HG2 MET A 56 1.574 8.002 2.717 1.00 41.00 H new ATOM 0 HG3 MET A 56 2.210 9.624 2.532 1.00 41.00 H new ATOM 0 HE1 MET A 56 4.138 5.836 0.693 1.00 13.52 H new ATOM 0 HE2 MET A 56 3.557 5.981 2.368 1.00 13.52 H new ATOM 0 HE3 MET A 56 2.392 5.909 1.025 1.00 13.52 H new ATOM 921 N GLY A 57 6.276 8.845 5.785 1.00 64.55 N ATOM 922 CA GLY A 57 6.899 9.110 7.081 1.00 64.00 C ATOM 923 C GLY A 57 6.184 8.455 8.254 1.00 45.23 C ATOM 924 O GLY A 57 6.345 8.901 9.387 1.00 3.14 O ATOM 0 H GLY A 57 6.794 8.190 5.199 1.00 64.55 H new ATOM 0 HA2 GLY A 57 7.931 8.760 7.056 1.00 64.00 H new ATOM 0 HA3 GLY A 57 6.932 10.187 7.244 1.00 64.00 H new ATOM 928 N VAL A 58 5.390 7.402 7.992 1.00 43.23 N ATOM 929 CA VAL A 58 4.602 6.717 9.041 1.00 11.52 C ATOM 930 C VAL A 58 4.628 5.182 8.845 1.00 61.00 C ATOM 931 O VAL A 58 4.319 4.684 7.766 1.00 55.03 O ATOM 932 CB VAL A 58 3.121 7.252 9.072 1.00 31.33 C ATOM 933 CG1 VAL A 58 2.444 7.147 7.685 1.00 74.34 C ATOM 934 CG2 VAL A 58 2.291 6.536 10.158 1.00 60.43 C ATOM 0 H VAL A 58 5.274 7.003 7.060 1.00 43.23 H new ATOM 0 HA VAL A 58 5.063 6.940 10.003 1.00 11.52 H new ATOM 0 HB VAL A 58 3.164 8.310 9.330 1.00 31.33 H new ATOM 0 HG11 VAL A 58 1.424 7.526 7.748 1.00 74.34 H new ATOM 0 HG12 VAL A 58 3.006 7.736 6.960 1.00 74.34 H new ATOM 0 HG13 VAL A 58 2.425 6.104 7.368 1.00 74.34 H new ATOM 0 HG21 VAL A 58 1.273 6.927 10.155 1.00 60.43 H new ATOM 0 HG22 VAL A 58 2.269 5.466 9.953 1.00 60.43 H new ATOM 0 HG23 VAL A 58 2.743 6.709 11.135 1.00 60.43 H new ATOM 944 N SER A 59 5.026 4.443 9.890 1.00 62.32 N ATOM 945 CA SER A 59 5.066 2.976 9.867 1.00 31.12 C ATOM 946 C SER A 59 3.672 2.383 10.149 1.00 52.12 C ATOM 947 O SER A 59 2.957 2.863 11.045 1.00 45.41 O ATOM 948 CB SER A 59 6.080 2.487 10.923 1.00 2.53 C ATOM 949 OG SER A 59 5.799 3.030 12.207 1.00 21.43 O ATOM 0 H SER A 59 5.330 4.847 10.776 1.00 62.32 H new ATOM 0 HA SER A 59 5.375 2.642 8.876 1.00 31.12 H new ATOM 0 HB2 SER A 59 6.057 1.398 10.974 1.00 2.53 H new ATOM 0 HB3 SER A 59 7.088 2.770 10.620 1.00 2.53 H new ATOM 0 HG SER A 59 6.458 2.700 12.853 1.00 21.43 H new ATOM 955 N ILE A 60 3.294 1.355 9.366 1.00 11.41 N ATOM 956 CA ILE A 60 2.116 0.522 9.654 1.00 62.34 C ATOM 957 C ILE A 60 2.487 -0.493 10.765 1.00 12.22 C ATOM 958 O ILE A 60 3.398 -1.313 10.560 1.00 42.44 O ATOM 959 CB ILE A 60 1.616 -0.284 8.391 1.00 25.40 C ATOM 960 CG1 ILE A 60 1.295 0.649 7.177 1.00 40.04 C ATOM 961 CG2 ILE A 60 0.382 -1.149 8.757 1.00 23.30 C ATOM 962 CD1 ILE A 60 0.040 1.499 7.335 1.00 15.13 C ATOM 0 H ILE A 60 3.795 1.081 8.521 1.00 11.41 H new ATOM 0 HA ILE A 60 1.311 1.188 9.964 1.00 62.34 H new ATOM 0 HB ILE A 60 2.431 -0.938 8.082 1.00 25.40 H new ATOM 0 HG12 ILE A 60 2.145 1.310 7.011 1.00 40.04 H new ATOM 0 HG13 ILE A 60 1.190 0.034 6.283 1.00 40.04 H new ATOM 0 HG21 ILE A 60 0.049 -1.699 7.877 1.00 23.30 H new ATOM 0 HG22 ILE A 60 0.652 -1.853 9.544 1.00 23.30 H new ATOM 0 HG23 ILE A 60 -0.423 -0.504 9.108 1.00 23.30 H new ATOM 0 HD11 ILE A 60 -0.099 2.111 6.444 1.00 15.13 H new ATOM 0 HD12 ILE A 60 -0.825 0.849 7.467 1.00 15.13 H new ATOM 0 HD13 ILE A 60 0.145 2.145 8.207 1.00 15.13 H new ATOM 974 N PRO A 61 1.812 -0.445 11.956 1.00 10.55 N ATOM 975 CA PRO A 61 1.998 -1.472 13.000 1.00 24.42 C ATOM 976 C PRO A 61 1.311 -2.805 12.644 1.00 12.34 C ATOM 977 O PRO A 61 0.453 -2.865 11.749 1.00 31.12 O ATOM 978 CB PRO A 61 1.374 -0.808 14.251 1.00 70.33 C ATOM 979 CG PRO A 61 0.344 0.136 13.719 1.00 52.42 C ATOM 980 CD PRO A 61 0.873 0.631 12.390 1.00 2.32 C ATOM 0 HA PRO A 61 3.043 -1.750 13.139 1.00 24.42 H new ATOM 0 HB2 PRO A 61 0.925 -1.552 14.909 1.00 70.33 H new ATOM 0 HB3 PRO A 61 2.128 -0.280 14.835 1.00 70.33 H new ATOM 0 HG2 PRO A 61 -0.616 -0.365 13.594 1.00 52.42 H new ATOM 0 HG3 PRO A 61 0.183 0.966 14.408 1.00 52.42 H new ATOM 0 HD2 PRO A 61 0.069 0.775 11.668 1.00 2.32 H new ATOM 0 HD3 PRO A 61 1.383 1.589 12.494 1.00 2.32 H new ATOM 988 N SER A 62 1.679 -3.855 13.398 1.00 55.23 N ATOM 989 CA SER A 62 1.230 -5.237 13.159 1.00 31.15 C ATOM 990 C SER A 62 -0.300 -5.411 13.369 1.00 60.43 C ATOM 991 O SER A 62 -0.903 -6.344 12.826 1.00 73.31 O ATOM 992 CB SER A 62 2.035 -6.195 14.068 1.00 44.35 C ATOM 993 OG SER A 62 2.069 -5.719 15.406 1.00 32.30 O ATOM 0 H SER A 62 2.304 -3.767 14.200 1.00 55.23 H new ATOM 0 HA SER A 62 1.418 -5.482 12.114 1.00 31.15 H new ATOM 0 HB2 SER A 62 1.587 -7.188 14.043 1.00 44.35 H new ATOM 0 HB3 SER A 62 3.052 -6.294 13.688 1.00 44.35 H new ATOM 0 HG SER A 62 2.582 -6.342 15.962 1.00 32.30 H new ATOM 999 N THR A 63 -0.911 -4.511 14.163 1.00 51.20 N ATOM 1000 CA THR A 63 -2.369 -4.517 14.418 1.00 41.22 C ATOM 1001 C THR A 63 -3.167 -3.942 13.221 1.00 1.23 C ATOM 1002 O THR A 63 -4.359 -4.215 13.078 1.00 53.02 O ATOM 1003 CB THR A 63 -2.699 -3.734 15.731 1.00 72.31 C ATOM 1004 OG1 THR A 63 -4.101 -3.804 16.051 1.00 14.32 O ATOM 1005 CG2 THR A 63 -2.263 -2.264 15.652 1.00 71.22 C ATOM 0 H THR A 63 -0.413 -3.762 14.645 1.00 51.20 H new ATOM 0 HA THR A 63 -2.676 -5.555 14.543 1.00 41.22 H new ATOM 0 HB THR A 63 -2.131 -4.219 16.525 1.00 72.31 H new ATOM 0 HG1 THR A 63 -4.273 -3.306 16.877 1.00 14.32 H new ATOM 0 HG21 THR A 63 -2.512 -1.760 16.586 1.00 71.22 H new ATOM 0 HG22 THR A 63 -1.187 -2.212 15.488 1.00 71.22 H new ATOM 0 HG23 THR A 63 -2.780 -1.775 14.826 1.00 71.22 H new ATOM 1013 N HIS A 64 -2.495 -3.152 12.359 1.00 51.43 N ATOM 1014 CA HIS A 64 -3.119 -2.578 11.136 1.00 74.05 C ATOM 1015 C HIS A 64 -2.949 -3.504 9.929 1.00 11.11 C ATOM 1016 O HIS A 64 -3.453 -3.195 8.837 1.00 70.15 O ATOM 1017 CB HIS A 64 -2.541 -1.170 10.823 1.00 22.41 C ATOM 1018 CG HIS A 64 -3.101 -0.076 11.682 1.00 63.21 C ATOM 1019 ND1 HIS A 64 -2.905 -0.020 13.037 1.00 22.30 N ATOM 1020 CD2 HIS A 64 -3.885 0.987 11.371 1.00 30.22 C ATOM 1021 CE1 HIS A 64 -3.529 1.025 13.526 1.00 35.24 C ATOM 1022 NE2 HIS A 64 -4.137 1.654 12.538 1.00 71.41 N ATOM 0 H HIS A 64 -1.516 -2.893 12.483 1.00 51.43 H new ATOM 0 HA HIS A 64 -4.186 -2.478 11.335 1.00 74.05 H new ATOM 0 HB2 HIS A 64 -1.458 -1.197 10.947 1.00 22.41 H new ATOM 0 HB3 HIS A 64 -2.736 -0.933 9.777 1.00 22.41 H new ATOM 0 HD2 HIS A 64 -4.242 1.256 10.388 1.00 30.22 H new ATOM 0 HE1 HIS A 64 -3.543 1.321 14.564 1.00 35.24 H new ATOM 0 HE2 HIS A 64 -4.702 2.498 12.630 1.00 71.41 H new ATOM 1031 N ILE A 65 -2.243 -4.634 10.115 1.00 54.44 N ATOM 1032 CA ILE A 65 -2.049 -5.613 9.047 1.00 50.13 C ATOM 1033 C ILE A 65 -3.334 -6.409 8.885 1.00 31.25 C ATOM 1034 O ILE A 65 -3.595 -7.349 9.630 1.00 12.53 O ATOM 1035 CB ILE A 65 -0.831 -6.571 9.317 1.00 1.03 C ATOM 1036 CG1 ILE A 65 0.442 -5.735 9.618 1.00 10.54 C ATOM 1037 CG2 ILE A 65 -0.601 -7.535 8.128 1.00 44.23 C ATOM 1038 CD1 ILE A 65 0.765 -4.692 8.565 1.00 50.03 C ATOM 0 H ILE A 65 -1.800 -4.886 10.998 1.00 54.44 H new ATOM 0 HA ILE A 65 -1.814 -5.078 8.127 1.00 50.13 H new ATOM 0 HB ILE A 65 -1.058 -7.184 10.189 1.00 1.03 H new ATOM 0 HG12 ILE A 65 0.317 -5.237 10.580 1.00 10.54 H new ATOM 0 HG13 ILE A 65 1.292 -6.411 9.717 1.00 10.54 H new ATOM 0 HG21 ILE A 65 0.247 -8.184 8.345 1.00 44.23 H new ATOM 0 HG22 ILE A 65 -1.493 -8.143 7.974 1.00 44.23 H new ATOM 0 HG23 ILE A 65 -0.395 -6.958 7.226 1.00 44.23 H new ATOM 0 HD11 ILE A 65 1.668 -4.153 8.852 1.00 50.03 H new ATOM 0 HD12 ILE A 65 0.925 -5.182 7.604 1.00 50.03 H new ATOM 0 HD13 ILE A 65 -0.065 -3.991 8.481 1.00 50.03 H new ATOM 1050 N THR A 66 -4.168 -5.957 7.951 1.00 32.44 N ATOM 1051 CA THR A 66 -5.441 -6.589 7.644 1.00 32.15 C ATOM 1052 C THR A 66 -5.772 -6.373 6.168 1.00 5.01 C ATOM 1053 O THR A 66 -5.273 -5.426 5.539 1.00 71.03 O ATOM 1054 CB THR A 66 -6.598 -6.048 8.564 1.00 1.42 C ATOM 1055 OG1 THR A 66 -7.862 -6.647 8.211 1.00 44.40 O ATOM 1056 CG2 THR A 66 -6.727 -4.521 8.501 1.00 44.14 C ATOM 0 H THR A 66 -3.973 -5.133 7.382 1.00 32.44 H new ATOM 0 HA THR A 66 -5.353 -7.657 7.842 1.00 32.15 H new ATOM 0 HB THR A 66 -6.334 -6.326 9.584 1.00 1.42 H new ATOM 0 HG1 THR A 66 -8.565 -6.297 8.797 1.00 44.40 H new ATOM 0 HG21 THR A 66 -7.539 -4.197 9.153 1.00 44.14 H new ATOM 0 HG22 THR A 66 -5.794 -4.063 8.829 1.00 44.14 H new ATOM 0 HG23 THR A 66 -6.940 -4.216 7.477 1.00 44.14 H new ATOM 1064 N GLY A 67 -6.639 -7.249 5.642 1.00 3.14 N ATOM 1065 CA GLY A 67 -7.092 -7.180 4.263 1.00 73.04 C ATOM 1066 C GLY A 67 -7.796 -5.873 3.944 1.00 24.21 C ATOM 1067 O GLY A 67 -7.610 -5.334 2.877 1.00 62.15 O ATOM 0 H GLY A 67 -7.042 -8.024 6.169 1.00 3.14 H new ATOM 0 HA2 GLY A 67 -6.237 -7.300 3.597 1.00 73.04 H new ATOM 0 HA3 GLY A 67 -7.769 -8.011 4.065 1.00 73.04 H new ATOM 1071 N LYS A 68 -8.535 -5.348 4.928 1.00 44.44 N ATOM 1072 CA LYS A 68 -9.346 -4.122 4.791 1.00 71.43 C ATOM 1073 C LYS A 68 -8.492 -2.845 4.573 1.00 74.22 C ATOM 1074 O LYS A 68 -8.810 -2.015 3.714 1.00 42.45 O ATOM 1075 CB LYS A 68 -10.203 -3.979 6.065 1.00 50.32 C ATOM 1076 CG LYS A 68 -11.041 -2.688 6.153 1.00 53.42 C ATOM 1077 CD LYS A 68 -11.860 -2.605 7.462 1.00 4.13 C ATOM 1078 CE LYS A 68 -10.980 -2.713 8.724 1.00 52.32 C ATOM 1079 NZ LYS A 68 -11.766 -2.591 9.980 1.00 44.35 N ATOM 0 H LYS A 68 -8.591 -5.765 5.857 1.00 44.44 H new ATOM 0 HA LYS A 68 -9.968 -4.220 3.901 1.00 71.43 H new ATOM 0 HB2 LYS A 68 -10.876 -4.834 6.129 1.00 50.32 H new ATOM 0 HB3 LYS A 68 -9.545 -4.026 6.933 1.00 50.32 H new ATOM 0 HG2 LYS A 68 -10.380 -1.824 6.086 1.00 53.42 H new ATOM 0 HG3 LYS A 68 -11.718 -2.639 5.300 1.00 53.42 H new ATOM 0 HD2 LYS A 68 -12.406 -1.662 7.485 1.00 4.13 H new ATOM 0 HD3 LYS A 68 -12.602 -3.403 7.472 1.00 4.13 H new ATOM 0 HE2 LYS A 68 -10.458 -3.670 8.718 1.00 52.32 H new ATOM 0 HE3 LYS A 68 -10.218 -1.934 8.699 1.00 52.32 H new ATOM 0 HZ1 LYS A 68 -11.128 -2.670 10.798 1.00 44.35 H new ATOM 0 HZ2 LYS A 68 -12.244 -1.668 10.002 1.00 44.35 H new ATOM 0 HZ3 LYS A 68 -12.476 -3.350 10.020 1.00 44.35 H new ATOM 1093 N TYR A 69 -7.424 -2.682 5.369 1.00 33.24 N ATOM 1094 CA TYR A 69 -6.586 -1.455 5.340 1.00 73.42 C ATOM 1095 C TYR A 69 -5.510 -1.519 4.251 1.00 33.23 C ATOM 1096 O TYR A 69 -4.894 -0.499 3.932 1.00 24.01 O ATOM 1097 CB TYR A 69 -5.950 -1.184 6.725 1.00 2.41 C ATOM 1098 CG TYR A 69 -6.958 -0.756 7.817 1.00 31.13 C ATOM 1099 CD1 TYR A 69 -8.118 -0.027 7.498 1.00 2.24 C ATOM 1100 CD2 TYR A 69 -6.748 -1.063 9.161 1.00 13.44 C ATOM 1101 CE1 TYR A 69 -9.013 0.369 8.472 1.00 75.03 C ATOM 1102 CE2 TYR A 69 -7.648 -0.672 10.136 1.00 74.24 C ATOM 1103 CZ TYR A 69 -8.776 0.045 9.788 1.00 22.23 C ATOM 1104 OH TYR A 69 -9.684 0.420 10.759 1.00 11.41 O ATOM 0 H TYR A 69 -7.113 -3.381 6.044 1.00 33.24 H new ATOM 0 HA TYR A 69 -7.246 -0.623 5.095 1.00 73.42 H new ATOM 0 HB2 TYR A 69 -5.434 -2.085 7.057 1.00 2.41 H new ATOM 0 HB3 TYR A 69 -5.195 -0.405 6.619 1.00 2.41 H new ATOM 0 HD1 TYR A 69 -8.313 0.229 6.467 1.00 2.24 H new ATOM 0 HD2 TYR A 69 -5.866 -1.617 9.446 1.00 13.44 H new ATOM 0 HE1 TYR A 69 -9.895 0.931 8.202 1.00 75.03 H new ATOM 0 HE2 TYR A 69 -7.469 -0.928 11.170 1.00 74.24 H new ATOM 0 HH TYR A 69 -9.370 0.114 11.636 1.00 11.41 H new ATOM 1114 N PHE A 70 -5.293 -2.714 3.695 1.00 60.33 N ATOM 1115 CA PHE A 70 -4.374 -2.928 2.552 1.00 14.03 C ATOM 1116 C PHE A 70 -5.150 -3.347 1.297 1.00 42.44 C ATOM 1117 O PHE A 70 -4.536 -3.735 0.295 1.00 1.53 O ATOM 1118 CB PHE A 70 -3.321 -4.002 2.903 1.00 35.11 C ATOM 1119 CG PHE A 70 -2.237 -3.529 3.868 1.00 32.22 C ATOM 1120 CD1 PHE A 70 -2.427 -3.577 5.245 1.00 12.12 C ATOM 1121 CD2 PHE A 70 -1.022 -3.040 3.382 1.00 52.21 C ATOM 1122 CE1 PHE A 70 -1.439 -3.156 6.101 1.00 52.52 C ATOM 1123 CE2 PHE A 70 -0.034 -2.622 4.242 1.00 54.13 C ATOM 1124 CZ PHE A 70 -0.241 -2.680 5.598 1.00 0.03 C ATOM 0 H PHE A 70 -5.746 -3.568 4.019 1.00 60.33 H new ATOM 0 HA PHE A 70 -3.866 -1.986 2.346 1.00 14.03 H new ATOM 0 HB2 PHE A 70 -3.829 -4.862 3.339 1.00 35.11 H new ATOM 0 HB3 PHE A 70 -2.847 -4.344 1.983 1.00 35.11 H new ATOM 0 HD1 PHE A 70 -3.359 -3.948 5.644 1.00 12.12 H new ATOM 0 HD2 PHE A 70 -0.856 -2.990 2.316 1.00 52.21 H new ATOM 0 HE1 PHE A 70 -1.597 -3.197 7.169 1.00 52.52 H new ATOM 0 HE2 PHE A 70 0.902 -2.249 3.852 1.00 54.13 H new ATOM 0 HZ PHE A 70 0.534 -2.353 6.275 1.00 0.03 H new ATOM 1134 N LYS A 71 -6.493 -3.245 1.371 1.00 24.23 N ATOM 1135 CA LYS A 71 -7.432 -3.772 0.353 1.00 73.24 C ATOM 1136 C LYS A 71 -7.069 -3.293 -1.047 1.00 3.53 C ATOM 1137 O LYS A 71 -6.969 -4.082 -1.990 1.00 74.31 O ATOM 1138 CB LYS A 71 -8.908 -3.366 0.734 1.00 33.12 C ATOM 1139 CG LYS A 71 -9.924 -4.539 0.757 1.00 1.41 C ATOM 1140 CD LYS A 71 -10.319 -5.008 -0.653 1.00 60.45 C ATOM 1141 CE LYS A 71 -11.185 -3.971 -1.381 1.00 40.33 C ATOM 1142 NZ LYS A 71 -11.219 -4.198 -2.844 1.00 13.22 N ATOM 0 H LYS A 71 -6.965 -2.788 2.151 1.00 24.23 H new ATOM 0 HA LYS A 71 -7.357 -4.859 0.342 1.00 73.24 H new ATOM 0 HB2 LYS A 71 -8.897 -2.895 1.717 1.00 33.12 H new ATOM 0 HB3 LYS A 71 -9.257 -2.616 0.025 1.00 33.12 H new ATOM 0 HG2 LYS A 71 -9.494 -5.376 1.307 1.00 1.41 H new ATOM 0 HG3 LYS A 71 -10.819 -4.229 1.297 1.00 1.41 H new ATOM 0 HD2 LYS A 71 -9.419 -5.202 -1.236 1.00 60.45 H new ATOM 0 HD3 LYS A 71 -10.863 -5.950 -0.583 1.00 60.45 H new ATOM 0 HE2 LYS A 71 -12.200 -4.006 -0.986 1.00 40.33 H new ATOM 0 HE3 LYS A 71 -10.799 -2.972 -1.179 1.00 40.33 H new ATOM 0 HZ1 LYS A 71 -11.906 -3.551 -3.280 1.00 13.22 H new ATOM 0 HZ2 LYS A 71 -10.276 -4.022 -3.245 1.00 13.22 H new ATOM 0 HZ3 LYS A 71 -11.499 -5.181 -3.036 1.00 13.22 H new ATOM 1156 N ASP A 72 -6.813 -1.991 -1.126 1.00 62.51 N ATOM 1157 CA ASP A 72 -6.552 -1.283 -2.368 1.00 54.41 C ATOM 1158 C ASP A 72 -5.499 -0.212 -2.098 1.00 23.53 C ATOM 1159 O ASP A 72 -5.043 -0.038 -0.955 1.00 62.22 O ATOM 1160 CB ASP A 72 -7.840 -0.581 -2.909 1.00 32.11 C ATOM 1161 CG ASP A 72 -9.076 -1.478 -3.097 1.00 54.04 C ATOM 1162 OD1 ASP A 72 -8.964 -2.545 -3.716 1.00 1.53 O ATOM 1163 OD2 ASP A 72 -10.189 -1.084 -2.666 1.00 22.32 O ATOM 0 H ASP A 72 -6.781 -1.386 -0.305 1.00 62.51 H new ATOM 0 HA ASP A 72 -6.212 -2.003 -3.112 1.00 54.41 H new ATOM 0 HB2 ASP A 72 -8.103 0.226 -2.225 1.00 32.11 H new ATOM 0 HB3 ASP A 72 -7.602 -0.121 -3.868 1.00 32.11 H new ATOM 1168 N LEU A 73 -5.144 0.515 -3.161 1.00 74.52 N ATOM 1169 CA LEU A 73 -4.363 1.746 -3.061 1.00 60.24 C ATOM 1170 C LEU A 73 -5.189 2.759 -2.229 1.00 23.43 C ATOM 1171 O LEU A 73 -4.693 3.294 -1.243 1.00 2.42 O ATOM 1172 CB LEU A 73 -4.047 2.311 -4.480 1.00 42.23 C ATOM 1173 CG LEU A 73 -2.828 3.303 -4.644 1.00 22.01 C ATOM 1174 CD1 LEU A 73 -3.065 4.263 -5.832 1.00 11.11 C ATOM 1175 CD2 LEU A 73 -2.487 4.091 -3.358 1.00 2.35 C ATOM 0 H LEU A 73 -5.392 0.263 -4.118 1.00 74.52 H new ATOM 0 HA LEU A 73 -3.407 1.554 -2.573 1.00 60.24 H new ATOM 0 HB2 LEU A 73 -3.876 1.463 -5.143 1.00 42.23 H new ATOM 0 HB3 LEU A 73 -4.940 2.822 -4.840 1.00 42.23 H new ATOM 0 HG LEU A 73 -1.957 2.681 -4.850 1.00 22.01 H new ATOM 0 HD11 LEU A 73 -2.215 4.938 -5.929 1.00 11.11 H new ATOM 0 HD12 LEU A 73 -3.176 3.686 -6.750 1.00 11.11 H new ATOM 0 HD13 LEU A 73 -3.971 4.843 -5.656 1.00 11.11 H new ATOM 0 HD21 LEU A 73 -1.640 4.750 -3.549 1.00 2.35 H new ATOM 0 HD22 LEU A 73 -3.349 4.686 -3.056 1.00 2.35 H new ATOM 0 HD23 LEU A 73 -2.231 3.393 -2.561 1.00 2.35 H new ATOM 1187 N ASN A 74 -6.468 2.966 -2.623 1.00 1.23 N ATOM 1188 CA ASN A 74 -7.380 3.903 -1.924 1.00 24.25 C ATOM 1189 C ASN A 74 -7.568 3.512 -0.443 1.00 32.21 C ATOM 1190 O ASN A 74 -7.633 4.381 0.414 1.00 55.21 O ATOM 1191 CB ASN A 74 -8.757 4.012 -2.636 1.00 71.24 C ATOM 1192 CG ASN A 74 -9.497 2.684 -2.771 1.00 3.22 C ATOM 1193 OD1 ASN A 74 -10.210 2.250 -1.861 1.00 74.12 O ATOM 1194 ND2 ASN A 74 -9.348 2.039 -3.916 1.00 54.41 N ATOM 0 H ASN A 74 -6.892 2.496 -3.423 1.00 1.23 H new ATOM 0 HA ASN A 74 -6.907 4.884 -1.960 1.00 24.25 H new ATOM 0 HB2 ASN A 74 -9.385 4.711 -2.083 1.00 71.24 H new ATOM 0 HB3 ASN A 74 -8.608 4.435 -3.630 1.00 71.24 H new ATOM 0 HD21 ASN A 74 -9.830 1.153 -4.069 1.00 54.41 H new ATOM 0 HD22 ASN A 74 -8.751 2.427 -4.646 1.00 54.41 H new ATOM 1201 N ALA A 75 -7.613 2.197 -0.159 1.00 53.32 N ATOM 1202 CA ALA A 75 -7.774 1.687 1.224 1.00 63.20 C ATOM 1203 C ALA A 75 -6.572 2.076 2.113 1.00 32.12 C ATOM 1204 O ALA A 75 -6.750 2.554 3.235 1.00 20.20 O ATOM 1205 CB ALA A 75 -7.969 0.175 1.212 1.00 75.43 C ATOM 0 H ALA A 75 -7.541 1.465 -0.866 1.00 53.32 H new ATOM 0 HA ALA A 75 -8.663 2.151 1.652 1.00 63.20 H new ATOM 0 HB1 ALA A 75 -8.086 -0.185 2.234 1.00 75.43 H new ATOM 0 HB2 ALA A 75 -8.861 -0.072 0.636 1.00 75.43 H new ATOM 0 HB3 ALA A 75 -7.100 -0.300 0.757 1.00 75.43 H new ATOM 1211 N ILE A 76 -5.356 1.863 1.579 1.00 50.05 N ATOM 1212 CA ILE A 76 -4.089 2.278 2.231 1.00 74.00 C ATOM 1213 C ILE A 76 -4.057 3.785 2.393 1.00 34.52 C ATOM 1214 O ILE A 76 -3.664 4.286 3.440 1.00 62.33 O ATOM 1215 CB ILE A 76 -2.836 1.792 1.414 1.00 45.54 C ATOM 1216 CG1 ILE A 76 -2.766 0.241 1.440 1.00 30.23 C ATOM 1217 CG2 ILE A 76 -1.513 2.418 1.946 1.00 21.12 C ATOM 1218 CD1 ILE A 76 -1.700 -0.366 0.557 1.00 10.24 C ATOM 0 H ILE A 76 -5.218 1.398 0.682 1.00 50.05 H new ATOM 0 HA ILE A 76 -4.048 1.810 3.215 1.00 74.00 H new ATOM 0 HB ILE A 76 -2.951 2.130 0.384 1.00 45.54 H new ATOM 0 HG12 ILE A 76 -2.594 -0.083 2.466 1.00 30.23 H new ATOM 0 HG13 ILE A 76 -3.735 -0.156 1.139 1.00 30.23 H new ATOM 0 HG21 ILE A 76 -0.674 2.055 1.352 1.00 21.12 H new ATOM 0 HG22 ILE A 76 -1.568 3.504 1.870 1.00 21.12 H new ATOM 0 HG23 ILE A 76 -1.370 2.134 2.989 1.00 21.12 H new ATOM 0 HD11 ILE A 76 -1.731 -1.452 0.644 1.00 10.24 H new ATOM 0 HD12 ILE A 76 -1.879 -0.080 -0.479 1.00 10.24 H new ATOM 0 HD13 ILE A 76 -0.720 -0.005 0.869 1.00 10.24 H new ATOM 1230 N SER A 77 -4.540 4.488 1.364 1.00 32.32 N ATOM 1231 CA SER A 77 -4.543 5.952 1.324 1.00 22.34 C ATOM 1232 C SER A 77 -5.497 6.529 2.394 1.00 3.20 C ATOM 1233 O SER A 77 -5.224 7.593 2.965 1.00 3.12 O ATOM 1234 CB SER A 77 -4.907 6.433 -0.098 1.00 73.00 C ATOM 1235 OG SER A 77 -4.691 7.817 -0.230 1.00 61.13 O ATOM 0 H SER A 77 -4.941 4.055 0.532 1.00 32.32 H new ATOM 0 HA SER A 77 -3.545 6.321 1.560 1.00 22.34 H new ATOM 0 HB2 SER A 77 -4.307 5.896 -0.833 1.00 73.00 H new ATOM 0 HB3 SER A 77 -5.951 6.202 -0.308 1.00 73.00 H new ATOM 0 HG SER A 77 -5.489 8.237 -0.614 1.00 61.13 H new ATOM 1241 N ARG A 78 -6.579 5.787 2.697 1.00 73.55 N ATOM 1242 CA ARG A 78 -7.562 6.178 3.733 1.00 72.34 C ATOM 1243 C ARG A 78 -7.090 5.773 5.136 1.00 71.40 C ATOM 1244 O ARG A 78 -7.573 6.324 6.121 1.00 63.21 O ATOM 1245 CB ARG A 78 -8.960 5.565 3.452 1.00 34.33 C ATOM 1246 CG ARG A 78 -9.598 6.047 2.132 1.00 51.53 C ATOM 1247 CD ARG A 78 -9.935 7.557 2.112 1.00 33.23 C ATOM 1248 NE ARG A 78 -9.945 8.097 0.745 1.00 43.42 N ATOM 1249 CZ ARG A 78 -10.968 8.077 -0.113 1.00 3.25 C ATOM 1250 NH1 ARG A 78 -12.132 7.551 0.222 1.00 0.53 N ATOM 1251 NH2 ARG A 78 -10.796 8.581 -1.318 1.00 15.24 N ATOM 0 H ARG A 78 -6.798 4.904 2.235 1.00 73.55 H new ATOM 0 HA ARG A 78 -7.645 7.264 3.694 1.00 72.34 H new ATOM 0 HB2 ARG A 78 -8.872 4.479 3.427 1.00 34.33 H new ATOM 0 HB3 ARG A 78 -9.627 5.811 4.278 1.00 34.33 H new ATOM 0 HG2 ARG A 78 -8.918 5.826 1.309 1.00 51.53 H new ATOM 0 HG3 ARG A 78 -10.511 5.479 1.953 1.00 51.53 H new ATOM 0 HD2 ARG A 78 -10.909 7.718 2.573 1.00 33.23 H new ATOM 0 HD3 ARG A 78 -9.205 8.100 2.712 1.00 33.23 H new ATOM 0 HE ARG A 78 -9.082 8.532 0.418 1.00 43.42 H new ATOM 0 HH11 ARG A 78 -12.262 7.150 1.151 1.00 0.53 H new ATOM 0 HH12 ARG A 78 -12.901 7.546 -0.448 1.00 0.53 H new ATOM 0 HH21 ARG A 78 -9.894 8.977 -1.581 1.00 15.24 H new ATOM 0 HH22 ARG A 78 -11.565 8.575 -1.988 1.00 15.24 H new ATOM 1265 N THR A 79 -6.173 4.804 5.229 1.00 70.13 N ATOM 1266 CA THR A 79 -5.606 4.369 6.527 1.00 25.45 C ATOM 1267 C THR A 79 -4.399 5.236 6.920 1.00 72.44 C ATOM 1268 O THR A 79 -4.217 5.594 8.093 1.00 30.10 O ATOM 1269 CB THR A 79 -5.183 2.871 6.470 1.00 75.43 C ATOM 1270 OG1 THR A 79 -6.303 2.089 6.029 1.00 5.32 O ATOM 1271 CG2 THR A 79 -4.688 2.340 7.837 1.00 12.31 C ATOM 0 H THR A 79 -5.802 4.300 4.424 1.00 70.13 H new ATOM 0 HA THR A 79 -6.382 4.489 7.283 1.00 25.45 H new ATOM 0 HB THR A 79 -4.350 2.787 5.773 1.00 75.43 H new ATOM 0 HG1 THR A 79 -6.541 1.439 6.722 1.00 5.32 H new ATOM 0 HG21 THR A 79 -4.406 1.292 7.740 1.00 12.31 H new ATOM 0 HG22 THR A 79 -3.824 2.919 8.161 1.00 12.31 H new ATOM 0 HG23 THR A 79 -5.485 2.435 8.574 1.00 12.31 H new ATOM 1279 N VAL A 80 -3.601 5.591 5.907 1.00 62.51 N ATOM 1280 CA VAL A 80 -2.322 6.284 6.090 1.00 50.13 C ATOM 1281 C VAL A 80 -2.556 7.751 6.498 1.00 65.54 C ATOM 1282 O VAL A 80 -1.757 8.324 7.240 1.00 31.43 O ATOM 1283 CB VAL A 80 -1.428 6.183 4.785 1.00 51.11 C ATOM 1284 CG1 VAL A 80 -1.983 7.033 3.628 1.00 53.13 C ATOM 1285 CG2 VAL A 80 0.029 6.558 5.078 1.00 43.10 C ATOM 0 H VAL A 80 -3.827 5.404 4.930 1.00 62.51 H new ATOM 0 HA VAL A 80 -1.778 5.793 6.897 1.00 50.13 H new ATOM 0 HB VAL A 80 -1.459 5.141 4.467 1.00 51.11 H new ATOM 0 HG11 VAL A 80 -1.335 6.930 2.757 1.00 53.13 H new ATOM 0 HG12 VAL A 80 -2.987 6.692 3.376 1.00 53.13 H new ATOM 0 HG13 VAL A 80 -2.020 8.079 3.931 1.00 53.13 H new ATOM 0 HG21 VAL A 80 0.616 6.479 4.163 1.00 43.10 H new ATOM 0 HG22 VAL A 80 0.073 7.582 5.450 1.00 43.10 H new ATOM 0 HG23 VAL A 80 0.435 5.881 5.829 1.00 43.10 H new ATOM 1295 N GLU A 81 -3.676 8.337 6.018 1.00 42.40 N ATOM 1296 CA GLU A 81 -4.094 9.699 6.409 1.00 70.35 C ATOM 1297 C GLU A 81 -4.456 9.742 7.909 1.00 42.14 C ATOM 1298 O GLU A 81 -4.145 10.708 8.597 1.00 62.20 O ATOM 1299 CB GLU A 81 -5.303 10.167 5.552 1.00 20.51 C ATOM 1300 CG GLU A 81 -6.543 9.257 5.680 1.00 51.22 C ATOM 1301 CD GLU A 81 -7.823 9.811 5.045 1.00 30.43 C ATOM 1302 OE1 GLU A 81 -7.932 9.812 3.805 1.00 24.03 O ATOM 1303 OE2 GLU A 81 -8.730 10.244 5.790 1.00 72.03 O ATOM 0 H GLU A 81 -4.307 7.885 5.357 1.00 42.40 H new ATOM 0 HA GLU A 81 -3.259 10.377 6.231 1.00 70.35 H new ATOM 0 HB2 GLU A 81 -5.575 11.181 5.846 1.00 20.51 H new ATOM 0 HB3 GLU A 81 -5.001 10.209 4.506 1.00 20.51 H new ATOM 0 HG2 GLU A 81 -6.316 8.294 5.223 1.00 51.22 H new ATOM 0 HG3 GLU A 81 -6.731 9.072 6.738 1.00 51.22 H new ATOM 1310 N GLN A 82 -5.090 8.648 8.388 1.00 44.42 N ATOM 1311 CA GLN A 82 -5.546 8.511 9.789 1.00 65.22 C ATOM 1312 C GLN A 82 -4.357 8.458 10.736 1.00 4.23 C ATOM 1313 O GLN A 82 -4.351 9.128 11.762 1.00 62.34 O ATOM 1314 CB GLN A 82 -6.402 7.228 9.971 1.00 2.24 C ATOM 1315 CG GLN A 82 -7.683 7.172 9.129 1.00 54.02 C ATOM 1316 CD GLN A 82 -8.686 8.274 9.473 1.00 75.31 C ATOM 1317 OE1 GLN A 82 -8.654 9.371 8.730 1.00 65.24 O flip ATOM 1318 NE2 GLN A 82 -9.508 8.121 10.380 1.00 42.32 N flip ATOM 0 H GLN A 82 -5.300 7.833 7.812 1.00 44.42 H new ATOM 0 HA GLN A 82 -6.157 9.383 10.024 1.00 65.22 H new ATOM 0 HB2 GLN A 82 -5.787 6.362 9.725 1.00 2.24 H new ATOM 0 HB3 GLN A 82 -6.674 7.138 11.023 1.00 2.24 H new ATOM 0 HG2 GLN A 82 -7.419 7.248 8.074 1.00 54.02 H new ATOM 0 HG3 GLN A 82 -8.159 6.201 9.269 1.00 54.02 H new ATOM 0 HE21 GLN A 82 -9.504 7.264 10.932 1.00 42.32 H new ATOM 0 HE22 GLN A 82 -10.191 8.852 10.577 1.00 42.32 H new ATOM 1327 N LEU A 83 -3.353 7.660 10.358 1.00 75.40 N ATOM 1328 CA LEU A 83 -2.114 7.497 11.142 1.00 61.25 C ATOM 1329 C LEU A 83 -1.323 8.801 11.205 1.00 33.02 C ATOM 1330 O LEU A 83 -0.713 9.100 12.230 1.00 30.32 O ATOM 1331 CB LEU A 83 -1.256 6.363 10.544 1.00 70.35 C ATOM 1332 CG LEU A 83 -1.923 4.956 10.523 1.00 34.24 C ATOM 1333 CD1 LEU A 83 -1.023 3.931 9.815 1.00 41.12 C ATOM 1334 CD2 LEU A 83 -2.284 4.480 11.949 1.00 61.34 C ATOM 0 H LEU A 83 -3.372 7.107 9.501 1.00 75.40 H new ATOM 0 HA LEU A 83 -2.387 7.230 12.163 1.00 61.25 H new ATOM 0 HB2 LEU A 83 -0.988 6.634 9.523 1.00 70.35 H new ATOM 0 HB3 LEU A 83 -0.327 6.297 11.110 1.00 70.35 H new ATOM 0 HG LEU A 83 -2.851 5.041 9.958 1.00 34.24 H new ATOM 0 HD11 LEU A 83 -1.512 2.957 9.814 1.00 41.12 H new ATOM 0 HD12 LEU A 83 -0.847 4.250 8.788 1.00 41.12 H new ATOM 0 HD13 LEU A 83 -0.071 3.859 10.341 1.00 41.12 H new ATOM 0 HD21 LEU A 83 -2.748 3.495 11.897 1.00 61.34 H new ATOM 0 HD22 LEU A 83 -1.379 4.424 12.554 1.00 61.34 H new ATOM 0 HD23 LEU A 83 -2.980 5.185 12.403 1.00 61.34 H new ATOM 1346 N LYS A 84 -1.360 9.579 10.112 1.00 73.04 N ATOM 1347 CA LYS A 84 -0.744 10.923 10.067 1.00 72.35 C ATOM 1348 C LYS A 84 -1.631 11.987 10.754 1.00 3.25 C ATOM 1349 O LYS A 84 -1.136 13.053 11.132 1.00 62.31 O ATOM 1350 CB LYS A 84 -0.430 11.339 8.613 1.00 61.24 C ATOM 1351 CG LYS A 84 0.622 10.456 7.904 1.00 60.44 C ATOM 1352 CD LYS A 84 1.070 11.041 6.545 1.00 60.15 C ATOM 1353 CE LYS A 84 -0.091 11.253 5.561 1.00 4.03 C ATOM 1354 NZ LYS A 84 0.341 12.013 4.357 1.00 41.15 N ATOM 0 H LYS A 84 -1.812 9.302 9.241 1.00 73.04 H new ATOM 0 HA LYS A 84 0.192 10.865 10.622 1.00 72.35 H new ATOM 0 HB2 LYS A 84 -1.354 11.316 8.035 1.00 61.24 H new ATOM 0 HB3 LYS A 84 -0.079 12.371 8.612 1.00 61.24 H new ATOM 0 HG2 LYS A 84 1.492 10.343 8.551 1.00 60.44 H new ATOM 0 HG3 LYS A 84 0.209 9.459 7.748 1.00 60.44 H new ATOM 0 HD2 LYS A 84 1.571 11.994 6.715 1.00 60.15 H new ATOM 0 HD3 LYS A 84 1.802 10.372 6.093 1.00 60.15 H new ATOM 0 HE2 LYS A 84 -0.492 10.286 5.257 1.00 4.03 H new ATOM 0 HE3 LYS A 84 -0.898 11.790 6.060 1.00 4.03 H new ATOM 0 HZ1 LYS A 84 -0.468 12.137 3.716 1.00 41.15 H new ATOM 0 HZ2 LYS A 84 0.700 12.945 4.645 1.00 41.15 H new ATOM 0 HZ3 LYS A 84 1.094 11.489 3.867 1.00 41.15 H new ATOM 1368 N ALA A 85 -2.931 11.687 10.905 1.00 31.24 N ATOM 1369 CA ALA A 85 -3.882 12.563 11.621 1.00 63.54 C ATOM 1370 C ALA A 85 -3.704 12.414 13.140 1.00 22.43 C ATOM 1371 O ALA A 85 -3.870 13.373 13.896 1.00 23.04 O ATOM 1372 CB ALA A 85 -5.324 12.230 11.201 1.00 64.02 C ATOM 0 H ALA A 85 -3.354 10.835 10.537 1.00 31.24 H new ATOM 0 HA ALA A 85 -3.678 13.601 11.356 1.00 63.54 H new ATOM 0 HB1 ALA A 85 -6.018 12.881 11.734 1.00 64.02 H new ATOM 0 HB2 ALA A 85 -5.435 12.383 10.127 1.00 64.02 H new ATOM 0 HB3 ALA A 85 -5.543 11.190 11.444 1.00 64.02 H new ATOM 1378 N GLU A 86 -3.370 11.183 13.568 1.00 42.03 N ATOM 1379 CA GLU A 86 -3.012 10.874 14.964 1.00 62.10 C ATOM 1380 C GLU A 86 -1.568 11.332 15.241 1.00 42.13 C ATOM 1381 O GLU A 86 -1.243 11.779 16.344 1.00 42.21 O ATOM 1382 CB GLU A 86 -3.151 9.349 15.211 1.00 53.13 C ATOM 1383 CG GLU A 86 -4.561 8.785 14.958 1.00 15.50 C ATOM 1384 CD GLU A 86 -4.590 7.247 14.961 1.00 5.15 C ATOM 1385 OE1 GLU A 86 -4.162 6.639 13.956 1.00 51.22 O ATOM 1386 OE2 GLU A 86 -5.006 6.641 15.976 1.00 24.40 O ATOM 0 H GLU A 86 -3.341 10.371 12.952 1.00 42.03 H new ATOM 0 HA GLU A 86 -3.684 11.403 15.639 1.00 62.10 H new ATOM 0 HB2 GLU A 86 -2.443 8.824 14.569 1.00 53.13 H new ATOM 0 HB3 GLU A 86 -2.867 9.134 16.241 1.00 53.13 H new ATOM 0 HG2 GLU A 86 -5.241 9.159 15.723 1.00 15.50 H new ATOM 0 HG3 GLU A 86 -4.928 9.150 13.999 1.00 15.50 H new