USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 30 ASN : amide:sc= -0.0225 K(o=-0.022,f=-1.6) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -17:sc= 0.915 USER MOD Single : A 20 ASN : amide:sc= -1.7! C(o=-1.7!,f=-3.1!) USER MOD Single : A 22 MET CE :methyl 139:sc= -1.96 (180deg=-3.03!) USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -0.925 (180deg=-3.15!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 132:sc= 0.735 (180deg=-0.0109) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00275) USER MOD Single : A 47 SER OG : rot -57:sc= 0.602 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc=-0.00145 (180deg=-0.0291) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0775 X(o=-0.078,f=-0.0049) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.835 3.735 -0.741 1.00 12.35 N ATOM 21 CA ARG A 2 -11.422 3.392 -0.489 1.00 22.11 C ATOM 22 C ARG A 2 -10.605 3.582 -1.777 1.00 3.44 C ATOM 23 O ARG A 2 -11.163 3.537 -2.878 1.00 14.33 O ATOM 24 CB ARG A 2 -11.225 1.952 0.089 1.00 50.35 C ATOM 25 CG ARG A 2 -11.507 0.749 -0.853 1.00 20.10 C ATOM 26 CD ARG A 2 -13.003 0.431 -1.075 1.00 42.41 C ATOM 27 NE ARG A 2 -13.167 -0.768 -1.926 1.00 74.01 N ATOM 28 CZ ARG A 2 -14.322 -1.215 -2.455 1.00 25.32 C ATOM 29 NH1 ARG A 2 -15.473 -0.587 -2.243 1.00 73.43 N ATOM 30 NH2 ARG A 2 -14.313 -2.312 -3.199 1.00 51.52 N ATOM 0 HA ARG A 2 -11.060 4.073 0.282 1.00 22.11 H new ATOM 0 HB2 ARG A 2 -10.196 1.869 0.439 1.00 50.35 H new ATOM 0 HB3 ARG A 2 -11.868 1.851 0.963 1.00 50.35 H new ATOM 0 HG2 ARG A 2 -11.046 0.948 -1.820 1.00 20.10 H new ATOM 0 HG3 ARG A 2 -11.020 -0.136 -0.444 1.00 20.10 H new ATOM 0 HD2 ARG A 2 -13.491 0.269 -0.114 1.00 42.41 H new ATOM 0 HD3 ARG A 2 -13.495 1.284 -1.543 1.00 42.41 H new ATOM 0 HE ARG A 2 -12.326 -1.307 -2.131 1.00 74.01 H new ATOM 0 HH11 ARG A 2 -15.496 0.255 -1.668 1.00 73.43 H new ATOM 0 HH12 ARG A 2 -16.334 -0.947 -2.656 1.00 73.43 H new ATOM 0 HH21 ARG A 2 -13.437 -2.808 -3.366 1.00 51.52 H new ATOM 0 HH22 ARG A 2 -15.182 -2.660 -3.605 1.00 51.52 H new ATOM 44 N ILE A 3 -9.286 3.757 -1.625 1.00 23.44 N ATOM 45 CA ILE A 3 -8.363 4.052 -2.740 1.00 31.43 C ATOM 46 C ILE A 3 -7.722 2.749 -3.240 1.00 0.22 C ATOM 47 O ILE A 3 -7.314 1.910 -2.450 1.00 1.12 O ATOM 48 CB ILE A 3 -7.262 5.082 -2.265 1.00 22.01 C ATOM 49 CG1 ILE A 3 -7.957 6.427 -1.869 1.00 30.44 C ATOM 50 CG2 ILE A 3 -6.146 5.298 -3.333 1.00 71.40 C ATOM 51 CD1 ILE A 3 -7.046 7.503 -1.320 1.00 11.30 C ATOM 0 H ILE A 3 -8.821 3.698 -0.719 1.00 23.44 H new ATOM 0 HA ILE A 3 -8.916 4.500 -3.565 1.00 31.43 H new ATOM 0 HB ILE A 3 -6.755 4.669 -1.393 1.00 22.01 H new ATOM 0 HG12 ILE A 3 -8.467 6.823 -2.747 1.00 30.44 H new ATOM 0 HG13 ILE A 3 -8.724 6.212 -1.125 1.00 30.44 H new ATOM 0 HG21 ILE A 3 -5.416 6.014 -2.956 1.00 71.40 H new ATOM 0 HG22 ILE A 3 -5.651 4.349 -3.539 1.00 71.40 H new ATOM 0 HG23 ILE A 3 -6.591 5.682 -4.251 1.00 71.40 H new ATOM 0 HD11 ILE A 3 -7.633 8.389 -1.080 1.00 11.30 H new ATOM 0 HD12 ILE A 3 -6.554 7.138 -0.418 1.00 11.30 H new ATOM 0 HD13 ILE A 3 -6.293 7.758 -2.066 1.00 11.30 H new ATOM 63 N LYS A 4 -7.658 2.585 -4.563 1.00 35.24 N ATOM 64 CA LYS A 4 -7.069 1.399 -5.198 1.00 74.52 C ATOM 65 C LYS A 4 -5.573 1.659 -5.435 1.00 62.25 C ATOM 66 O LYS A 4 -5.195 2.768 -5.830 1.00 74.02 O ATOM 67 CB LYS A 4 -7.810 1.121 -6.529 1.00 4.22 C ATOM 68 CG LYS A 4 -7.424 -0.191 -7.246 1.00 61.33 C ATOM 69 CD LYS A 4 -8.240 -0.375 -8.547 1.00 73.21 C ATOM 70 CE LYS A 4 -8.046 -1.725 -9.222 1.00 21.22 C ATOM 71 NZ LYS A 4 -8.947 -1.881 -10.392 1.00 44.33 N ATOM 0 H LYS A 4 -8.014 3.272 -5.228 1.00 35.24 H new ATOM 0 HA LYS A 4 -7.172 0.522 -4.559 1.00 74.52 H new ATOM 0 HB2 LYS A 4 -8.882 1.104 -6.331 1.00 4.22 H new ATOM 0 HB3 LYS A 4 -7.625 1.953 -7.208 1.00 4.22 H new ATOM 0 HG2 LYS A 4 -6.359 -0.182 -7.479 1.00 61.33 H new ATOM 0 HG3 LYS A 4 -7.598 -1.037 -6.581 1.00 61.33 H new ATOM 0 HD2 LYS A 4 -9.298 -0.244 -8.320 1.00 73.21 H new ATOM 0 HD3 LYS A 4 -7.965 0.412 -9.249 1.00 73.21 H new ATOM 0 HE2 LYS A 4 -7.009 -1.827 -9.543 1.00 21.22 H new ATOM 0 HE3 LYS A 4 -8.238 -2.523 -8.505 1.00 21.22 H new ATOM 0 HZ1 LYS A 4 -8.790 -2.811 -10.830 1.00 44.33 H new ATOM 0 HZ2 LYS A 4 -9.936 -1.808 -10.080 1.00 44.33 H new ATOM 0 HZ3 LYS A 4 -8.746 -1.133 -11.087 1.00 44.33 H new ATOM 85 N GLY A 5 -4.736 0.644 -5.175 1.00 13.14 N ATOM 86 CA GLY A 5 -3.280 0.750 -5.336 1.00 42.02 C ATOM 87 C GLY A 5 -2.702 -0.476 -6.028 1.00 41.34 C ATOM 88 O GLY A 5 -3.447 -1.385 -6.378 1.00 50.42 O ATOM 0 H GLY A 5 -5.049 -0.270 -4.848 1.00 13.14 H new ATOM 0 HA2 GLY A 5 -3.041 1.642 -5.915 1.00 42.02 H new ATOM 0 HA3 GLY A 5 -2.813 0.871 -4.358 1.00 42.02 H new ATOM 92 N VAL A 6 -1.365 -0.492 -6.227 1.00 51.30 N ATOM 93 CA VAL A 6 -0.638 -1.614 -6.877 1.00 31.31 C ATOM 94 C VAL A 6 0.595 -1.993 -6.030 1.00 42.33 C ATOM 95 O VAL A 6 1.384 -1.119 -5.657 1.00 34.01 O ATOM 96 CB VAL A 6 -0.158 -1.257 -8.344 1.00 65.12 C ATOM 97 CG1 VAL A 6 0.657 -2.409 -8.986 1.00 54.32 C ATOM 98 CG2 VAL A 6 -1.343 -0.862 -9.252 1.00 25.33 C ATOM 0 H VAL A 6 -0.755 0.274 -5.942 1.00 51.30 H new ATOM 0 HA VAL A 6 -1.335 -2.449 -6.945 1.00 31.31 H new ATOM 0 HB VAL A 6 0.502 -0.394 -8.252 1.00 65.12 H new ATOM 0 HG11 VAL A 6 0.965 -2.120 -9.991 1.00 54.32 H new ATOM 0 HG12 VAL A 6 1.540 -2.612 -8.380 1.00 54.32 H new ATOM 0 HG13 VAL A 6 0.040 -3.306 -9.039 1.00 54.32 H new ATOM 0 HG21 VAL A 6 -0.974 -0.624 -10.250 1.00 25.33 H new ATOM 0 HG22 VAL A 6 -2.046 -1.692 -9.314 1.00 25.33 H new ATOM 0 HG23 VAL A 6 -1.847 0.010 -8.834 1.00 25.33 H new ATOM 108 N VAL A 7 0.734 -3.302 -5.757 1.00 2.21 N ATOM 109 CA VAL A 7 1.886 -3.892 -5.054 1.00 31.30 C ATOM 110 C VAL A 7 3.152 -3.768 -5.931 1.00 53.34 C ATOM 111 O VAL A 7 3.323 -4.516 -6.899 1.00 15.45 O ATOM 112 CB VAL A 7 1.583 -5.406 -4.722 1.00 51.51 C ATOM 113 CG1 VAL A 7 2.728 -6.078 -3.921 1.00 54.11 C ATOM 114 CG2 VAL A 7 0.226 -5.538 -3.992 1.00 32.42 C ATOM 0 H VAL A 7 0.034 -3.994 -6.025 1.00 2.21 H new ATOM 0 HA VAL A 7 2.059 -3.357 -4.120 1.00 31.30 H new ATOM 0 HB VAL A 7 1.519 -5.941 -5.669 1.00 51.51 H new ATOM 0 HG11 VAL A 7 2.469 -7.117 -3.719 1.00 54.11 H new ATOM 0 HG12 VAL A 7 3.650 -6.040 -4.502 1.00 54.11 H new ATOM 0 HG13 VAL A 7 2.871 -5.550 -2.978 1.00 54.11 H new ATOM 0 HG21 VAL A 7 0.033 -6.588 -3.771 1.00 32.42 H new ATOM 0 HG22 VAL A 7 0.257 -4.971 -3.062 1.00 32.42 H new ATOM 0 HG23 VAL A 7 -0.569 -5.149 -4.628 1.00 32.42 H new ATOM 124 N LEU A 8 3.998 -2.775 -5.616 1.00 63.33 N ATOM 125 CA LEU A 8 5.241 -2.515 -6.367 1.00 71.21 C ATOM 126 C LEU A 8 6.385 -3.434 -5.903 1.00 64.22 C ATOM 127 O LEU A 8 6.953 -4.169 -6.721 1.00 51.33 O ATOM 128 CB LEU A 8 5.663 -1.021 -6.250 1.00 1.14 C ATOM 129 CG LEU A 8 4.721 0.017 -6.936 1.00 13.11 C ATOM 130 CD1 LEU A 8 5.281 1.456 -6.803 1.00 41.41 C ATOM 131 CD2 LEU A 8 4.465 -0.362 -8.412 1.00 62.43 C ATOM 0 H LEU A 8 3.843 -2.132 -4.839 1.00 63.33 H new ATOM 0 HA LEU A 8 5.038 -2.735 -7.415 1.00 71.21 H new ATOM 0 HB2 LEU A 8 5.739 -0.768 -5.192 1.00 1.14 H new ATOM 0 HB3 LEU A 8 6.660 -0.912 -6.676 1.00 1.14 H new ATOM 0 HG LEU A 8 3.761 -0.005 -6.420 1.00 13.11 H new ATOM 0 HD11 LEU A 8 4.603 2.157 -7.290 1.00 41.41 H new ATOM 0 HD12 LEU A 8 5.373 1.715 -5.748 1.00 41.41 H new ATOM 0 HD13 LEU A 8 6.261 1.510 -7.277 1.00 41.41 H new ATOM 0 HD21 LEU A 8 3.806 0.377 -8.868 1.00 62.43 H new ATOM 0 HD22 LEU A 8 5.412 -0.385 -8.951 1.00 62.43 H new ATOM 0 HD23 LEU A 8 3.996 -1.345 -8.459 1.00 62.43 H new ATOM 143 N SER A 9 6.710 -3.401 -4.594 1.00 64.24 N ATOM 144 CA SER A 9 7.862 -4.150 -4.036 1.00 3.20 C ATOM 145 C SER A 9 7.581 -4.620 -2.595 1.00 22.45 C ATOM 146 O SER A 9 7.067 -3.849 -1.780 1.00 50.31 O ATOM 147 CB SER A 9 9.144 -3.266 -4.060 1.00 51.01 C ATOM 148 OG SER A 9 9.429 -2.782 -5.362 1.00 35.44 O ATOM 0 H SER A 9 6.191 -2.863 -3.900 1.00 64.24 H new ATOM 0 HA SER A 9 8.018 -5.031 -4.659 1.00 3.20 H new ATOM 0 HB2 SER A 9 9.017 -2.424 -3.380 1.00 51.01 H new ATOM 0 HB3 SER A 9 9.992 -3.846 -3.695 1.00 51.01 H new ATOM 0 HG SER A 9 10.239 -2.231 -5.336 1.00 35.44 H new ATOM 154 N TYR A 10 7.922 -5.895 -2.299 1.00 34.23 N ATOM 155 CA TYR A 10 7.941 -6.425 -0.921 1.00 71.21 C ATOM 156 C TYR A 10 9.264 -5.995 -0.248 1.00 21.44 C ATOM 157 O TYR A 10 10.350 -6.281 -0.769 1.00 23.44 O ATOM 158 CB TYR A 10 7.821 -7.977 -0.897 1.00 61.13 C ATOM 159 CG TYR A 10 6.519 -8.547 -1.494 1.00 31.23 C ATOM 160 CD1 TYR A 10 5.289 -8.357 -0.855 1.00 5.15 C ATOM 161 CD2 TYR A 10 6.520 -9.279 -2.686 1.00 30.41 C ATOM 162 CE1 TYR A 10 4.118 -8.874 -1.386 1.00 45.31 C ATOM 163 CE2 TYR A 10 5.349 -9.795 -3.217 1.00 73.22 C ATOM 164 CZ TYR A 10 4.155 -9.590 -2.567 1.00 42.55 C ATOM 165 OH TYR A 10 2.993 -10.101 -3.102 1.00 61.11 O ATOM 0 H TYR A 10 8.190 -6.580 -3.006 1.00 34.23 H new ATOM 0 HA TYR A 10 7.084 -6.023 -0.381 1.00 71.21 H new ATOM 0 HB2 TYR A 10 8.666 -8.399 -1.442 1.00 61.13 H new ATOM 0 HB3 TYR A 10 7.906 -8.316 0.136 1.00 61.13 H new ATOM 0 HD1 TYR A 10 5.251 -7.798 0.068 1.00 5.15 H new ATOM 0 HD2 TYR A 10 7.453 -9.445 -3.203 1.00 30.41 H new ATOM 0 HE1 TYR A 10 3.178 -8.717 -0.878 1.00 45.31 H new ATOM 0 HE2 TYR A 10 5.374 -10.357 -4.139 1.00 73.22 H new ATOM 0 HH TYR A 10 2.294 -10.112 -2.415 1.00 61.11 H new ATOM 175 N ARG A 11 9.160 -5.291 0.882 1.00 75.52 N ATOM 176 CA ARG A 11 10.320 -4.822 1.667 1.00 25.10 C ATOM 177 C ARG A 11 10.272 -5.485 3.060 1.00 55.13 C ATOM 178 O ARG A 11 9.439 -5.133 3.889 1.00 32.34 O ATOM 179 CB ARG A 11 10.263 -3.275 1.807 1.00 23.20 C ATOM 180 CG ARG A 11 10.322 -2.472 0.490 1.00 11.13 C ATOM 181 CD ARG A 11 11.689 -2.559 -0.196 1.00 63.41 C ATOM 182 NE ARG A 11 11.740 -1.820 -1.473 1.00 44.13 N ATOM 183 CZ ARG A 11 12.626 -2.049 -2.464 1.00 75.15 C ATOM 184 NH1 ARG A 11 13.548 -3.010 -2.352 1.00 31.14 N ATOM 185 NH2 ARG A 11 12.592 -1.306 -3.563 1.00 3.12 N ATOM 0 H ARG A 11 8.263 -5.025 1.287 1.00 75.52 H new ATOM 0 HA ARG A 11 11.249 -5.092 1.165 1.00 25.10 H new ATOM 0 HB2 ARG A 11 9.343 -3.011 2.329 1.00 23.20 H new ATOM 0 HB3 ARG A 11 11.091 -2.957 2.440 1.00 23.20 H new ATOM 0 HG2 ARG A 11 9.555 -2.841 -0.190 1.00 11.13 H new ATOM 0 HG3 ARG A 11 10.089 -1.427 0.696 1.00 11.13 H new ATOM 0 HD2 ARG A 11 12.452 -2.166 0.476 1.00 63.41 H new ATOM 0 HD3 ARG A 11 11.932 -3.606 -0.378 1.00 63.41 H new ATOM 0 HE ARG A 11 11.053 -1.080 -1.617 1.00 44.13 H new ATOM 0 HH11 ARG A 11 13.588 -3.582 -1.509 1.00 31.14 H new ATOM 0 HH12 ARG A 11 14.211 -3.171 -3.110 1.00 31.14 H new ATOM 0 HH21 ARG A 11 11.898 -0.565 -3.656 1.00 3.12 H new ATOM 0 HH22 ARG A 11 13.260 -1.476 -4.315 1.00 3.12 H new ATOM 334 N ASN A 20 6.852 -5.686 8.214 1.00 10.25 N ATOM 335 CA ASN A 20 7.571 -5.491 6.946 1.00 54.13 C ATOM 336 C ASN A 20 6.885 -4.370 6.144 1.00 4.22 C ATOM 337 O ASN A 20 5.676 -4.213 6.235 1.00 51.32 O ATOM 338 CB ASN A 20 7.596 -6.815 6.117 1.00 62.52 C ATOM 339 CG ASN A 20 6.264 -7.124 5.408 1.00 45.10 C ATOM 340 OD1 ASN A 20 5.343 -7.657 6.009 1.00 23.24 O ATOM 341 ND2 ASN A 20 6.155 -6.774 4.130 1.00 5.52 N ATOM 0 HA ASN A 20 8.602 -5.208 7.159 1.00 54.13 H new ATOM 0 HB2 ASN A 20 8.389 -6.752 5.371 1.00 62.52 H new ATOM 0 HB3 ASN A 20 7.846 -7.644 6.779 1.00 62.52 H new ATOM 0 HD21 ASN A 20 5.286 -6.949 3.626 1.00 5.52 H new ATOM 0 HD22 ASN A 20 6.941 -6.331 3.654 1.00 5.52 H new ATOM 348 N VAL A 21 7.652 -3.641 5.331 1.00 74.01 N ATOM 349 CA VAL A 21 7.107 -2.568 4.475 1.00 44.10 C ATOM 350 C VAL A 21 6.661 -3.198 3.135 1.00 21.25 C ATOM 351 O VAL A 21 7.114 -4.287 2.771 1.00 71.13 O ATOM 352 CB VAL A 21 8.192 -1.444 4.186 1.00 35.13 C ATOM 353 CG1 VAL A 21 7.559 -0.181 3.559 1.00 2.13 C ATOM 354 CG2 VAL A 21 9.020 -1.099 5.444 1.00 72.30 C ATOM 0 H VAL A 21 8.660 -3.770 5.242 1.00 74.01 H new ATOM 0 HA VAL A 21 6.268 -2.100 4.990 1.00 44.10 H new ATOM 0 HB VAL A 21 8.884 -1.858 3.452 1.00 35.13 H new ATOM 0 HG11 VAL A 21 8.335 0.563 3.377 1.00 2.13 H new ATOM 0 HG12 VAL A 21 7.080 -0.444 2.616 1.00 2.13 H new ATOM 0 HG13 VAL A 21 6.815 0.230 4.241 1.00 2.13 H new ATOM 0 HG21 VAL A 21 9.749 -0.326 5.199 1.00 72.30 H new ATOM 0 HG22 VAL A 21 8.356 -0.736 6.228 1.00 72.30 H new ATOM 0 HG23 VAL A 21 9.540 -1.991 5.793 1.00 72.30 H new ATOM 364 N MET A 22 5.748 -2.543 2.425 1.00 74.42 N ATOM 365 CA MET A 22 5.406 -2.912 1.052 1.00 54.24 C ATOM 366 C MET A 22 5.179 -1.618 0.279 1.00 54.21 C ATOM 367 O MET A 22 4.279 -0.837 0.619 1.00 41.50 O ATOM 368 CB MET A 22 4.166 -3.862 0.997 1.00 51.11 C ATOM 369 CG MET A 22 3.924 -4.495 -0.387 1.00 54.53 C ATOM 370 SD MET A 22 2.809 -5.927 -0.359 1.00 4.31 S ATOM 371 CE MET A 22 1.184 -5.181 -0.401 1.00 21.23 C ATOM 0 H MET A 22 5.225 -1.744 2.782 1.00 74.42 H new ATOM 0 HA MET A 22 6.219 -3.478 0.597 1.00 54.24 H new ATOM 0 HB2 MET A 22 4.297 -4.657 1.731 1.00 51.11 H new ATOM 0 HB3 MET A 22 3.278 -3.301 1.289 1.00 51.11 H new ATOM 0 HG2 MET A 22 3.510 -3.738 -1.054 1.00 54.53 H new ATOM 0 HG3 MET A 22 4.882 -4.801 -0.808 1.00 54.53 H new ATOM 0 HE1 MET A 22 0.538 -5.753 -1.067 1.00 21.23 H new ATOM 0 HE2 MET A 22 0.759 -5.178 0.603 1.00 21.23 H new ATOM 0 HE3 MET A 22 1.263 -4.157 -0.765 1.00 21.23 H new ATOM 381 N ILE A 23 6.066 -1.362 -0.700 1.00 31.03 N ATOM 382 CA ILE A 23 5.959 -0.212 -1.604 1.00 64.35 C ATOM 383 C ILE A 23 4.726 -0.417 -2.492 1.00 33.04 C ATOM 384 O ILE A 23 4.588 -1.460 -3.137 1.00 44.12 O ATOM 385 CB ILE A 23 7.243 -0.042 -2.502 1.00 43.53 C ATOM 386 CG1 ILE A 23 8.550 -0.031 -1.639 1.00 2.23 C ATOM 387 CG2 ILE A 23 7.146 1.233 -3.387 1.00 31.51 C ATOM 388 CD1 ILE A 23 8.680 1.104 -0.634 1.00 52.35 C ATOM 0 H ILE A 23 6.878 -1.951 -0.883 1.00 31.03 H new ATOM 0 HA ILE A 23 5.865 0.695 -1.007 1.00 64.35 H new ATOM 0 HB ILE A 23 7.294 -0.906 -3.165 1.00 43.53 H new ATOM 0 HG12 ILE A 23 8.612 -0.976 -1.099 1.00 2.23 H new ATOM 0 HG13 ILE A 23 9.406 0.008 -2.313 1.00 2.23 H new ATOM 0 HG21 ILE A 23 8.046 1.323 -3.995 1.00 31.51 H new ATOM 0 HG22 ILE A 23 6.275 1.159 -4.038 1.00 31.51 H new ATOM 0 HG23 ILE A 23 7.049 2.112 -2.750 1.00 31.51 H new ATOM 0 HD11 ILE A 23 9.623 1.007 -0.096 1.00 52.35 H new ATOM 0 HD12 ILE A 23 8.658 2.059 -1.159 1.00 52.35 H new ATOM 0 HD13 ILE A 23 7.852 1.060 0.074 1.00 52.35 H new ATOM 400 N ILE A 24 3.832 0.564 -2.472 1.00 41.01 N ATOM 401 CA ILE A 24 2.542 0.526 -3.174 1.00 12.33 C ATOM 402 C ILE A 24 2.355 1.867 -3.891 1.00 14.24 C ATOM 403 O ILE A 24 2.672 2.900 -3.323 1.00 41.31 O ATOM 404 CB ILE A 24 1.358 0.297 -2.145 1.00 53.34 C ATOM 405 CG1 ILE A 24 1.480 -1.103 -1.443 1.00 72.25 C ATOM 406 CG2 ILE A 24 -0.028 0.471 -2.816 1.00 51.33 C ATOM 407 CD1 ILE A 24 0.551 -1.315 -0.260 1.00 51.12 C ATOM 0 H ILE A 24 3.981 1.431 -1.957 1.00 41.01 H new ATOM 0 HA ILE A 24 2.532 -0.296 -3.890 1.00 12.33 H new ATOM 0 HB ILE A 24 1.443 1.065 -1.376 1.00 53.34 H new ATOM 0 HG12 ILE A 24 1.285 -1.880 -2.182 1.00 72.25 H new ATOM 0 HG13 ILE A 24 2.508 -1.234 -1.106 1.00 72.25 H new ATOM 0 HG21 ILE A 24 -0.813 0.306 -2.078 1.00 51.33 H new ATOM 0 HG22 ILE A 24 -0.114 1.481 -3.217 1.00 51.33 H new ATOM 0 HG23 ILE A 24 -0.134 -0.251 -3.625 1.00 51.33 H new ATOM 0 HD11 ILE A 24 0.712 -2.310 0.155 1.00 51.12 H new ATOM 0 HD12 ILE A 24 0.758 -0.566 0.504 1.00 51.12 H new ATOM 0 HD13 ILE A 24 -0.484 -1.222 -0.589 1.00 51.12 H new ATOM 419 N LYS A 25 1.877 1.853 -5.145 1.00 75.42 N ATOM 420 CA LYS A 25 1.456 3.092 -5.832 1.00 2.24 C ATOM 421 C LYS A 25 -0.084 3.175 -5.804 1.00 42.44 C ATOM 422 O LYS A 25 -0.754 2.311 -6.369 1.00 42.15 O ATOM 423 CB LYS A 25 1.998 3.155 -7.297 1.00 64.10 C ATOM 424 CG LYS A 25 1.555 2.001 -8.225 1.00 30.34 C ATOM 425 CD LYS A 25 2.014 2.141 -9.696 1.00 64.22 C ATOM 426 CE LYS A 25 1.417 3.357 -10.435 1.00 33.02 C ATOM 427 NZ LYS A 25 2.061 4.645 -10.057 1.00 12.34 N ATOM 0 H LYS A 25 1.771 1.006 -5.704 1.00 75.42 H new ATOM 0 HA LYS A 25 1.879 3.950 -5.309 1.00 2.24 H new ATOM 0 HB2 LYS A 25 1.680 4.098 -7.742 1.00 64.10 H new ATOM 0 HB3 LYS A 25 3.087 3.171 -7.262 1.00 64.10 H new ATOM 0 HG2 LYS A 25 1.942 1.063 -7.826 1.00 30.34 H new ATOM 0 HG3 LYS A 25 0.467 1.933 -8.203 1.00 30.34 H new ATOM 0 HD2 LYS A 25 3.101 2.214 -9.720 1.00 64.22 H new ATOM 0 HD3 LYS A 25 1.744 1.234 -10.236 1.00 64.22 H new ATOM 0 HE2 LYS A 25 1.520 3.208 -11.510 1.00 33.02 H new ATOM 0 HE3 LYS A 25 0.350 3.415 -10.222 1.00 33.02 H new ATOM 0 HZ1 LYS A 25 1.405 5.203 -9.474 1.00 12.34 H new ATOM 0 HZ2 LYS A 25 2.928 4.454 -9.515 1.00 12.34 H new ATOM 0 HZ3 LYS A 25 2.301 5.179 -10.917 1.00 12.34 H new ATOM 441 N PRO A 26 -0.689 4.162 -5.080 1.00 71.21 N ATOM 442 CA PRO A 26 -2.134 4.424 -5.190 1.00 35.22 C ATOM 443 C PRO A 26 -2.467 4.998 -6.586 1.00 63.42 C ATOM 444 O PRO A 26 -1.920 6.025 -6.985 1.00 2.01 O ATOM 445 CB PRO A 26 -2.425 5.435 -4.044 1.00 54.30 C ATOM 446 CG PRO A 26 -1.199 5.417 -3.170 1.00 44.04 C ATOM 447 CD PRO A 26 -0.047 5.059 -4.082 1.00 2.20 C ATOM 0 HA PRO A 26 -2.748 3.529 -5.093 1.00 35.22 H new ATOM 0 HB2 PRO A 26 -2.610 6.434 -4.439 1.00 54.30 H new ATOM 0 HB3 PRO A 26 -3.312 5.145 -3.481 1.00 54.30 H new ATOM 0 HG2 PRO A 26 -1.039 6.388 -2.701 1.00 44.04 H new ATOM 0 HG3 PRO A 26 -1.303 4.688 -2.366 1.00 44.04 H new ATOM 0 HD2 PRO A 26 0.388 5.942 -4.551 1.00 2.20 H new ATOM 0 HD3 PRO A 26 0.756 4.556 -3.543 1.00 2.20 H new ATOM 455 N LEU A 27 -3.318 4.290 -7.339 1.00 53.43 N ATOM 456 CA LEU A 27 -3.737 4.696 -8.698 1.00 65.42 C ATOM 457 C LEU A 27 -4.502 6.035 -8.680 1.00 34.13 C ATOM 458 O LEU A 27 -4.371 6.847 -9.607 1.00 32.24 O ATOM 459 CB LEU A 27 -4.603 3.581 -9.340 1.00 21.41 C ATOM 460 CG LEU A 27 -3.890 2.215 -9.582 1.00 4.02 C ATOM 461 CD1 LEU A 27 -4.886 1.167 -10.128 1.00 13.31 C ATOM 462 CD2 LEU A 27 -2.662 2.384 -10.516 1.00 52.51 C ATOM 0 H LEU A 27 -3.740 3.415 -7.027 1.00 53.43 H new ATOM 0 HA LEU A 27 -2.840 4.842 -9.299 1.00 65.42 H new ATOM 0 HB2 LEU A 27 -5.469 3.408 -8.701 1.00 21.41 H new ATOM 0 HB3 LEU A 27 -4.980 3.946 -10.296 1.00 21.41 H new ATOM 0 HG LEU A 27 -3.519 1.848 -8.625 1.00 4.02 H new ATOM 0 HD11 LEU A 27 -4.368 0.222 -10.290 1.00 13.31 H new ATOM 0 HD12 LEU A 27 -5.691 1.021 -9.408 1.00 13.31 H new ATOM 0 HD13 LEU A 27 -5.303 1.518 -11.072 1.00 13.31 H new ATOM 0 HD21 LEU A 27 -2.184 1.416 -10.667 1.00 52.51 H new ATOM 0 HD22 LEU A 27 -2.988 2.782 -11.477 1.00 52.51 H new ATOM 0 HD23 LEU A 27 -1.950 3.073 -10.060 1.00 52.51 H new ATOM 474 N ASP A 28 -5.299 6.249 -7.625 1.00 62.54 N ATOM 475 CA ASP A 28 -6.065 7.500 -7.442 1.00 43.34 C ATOM 476 C ASP A 28 -5.151 8.651 -6.961 1.00 43.33 C ATOM 477 O ASP A 28 -5.394 9.818 -7.283 1.00 34.14 O ATOM 478 CB ASP A 28 -7.212 7.278 -6.416 1.00 22.51 C ATOM 479 CG ASP A 28 -8.179 6.150 -6.823 1.00 4.52 C ATOM 480 OD1 ASP A 28 -7.916 4.969 -6.484 1.00 74.53 O ATOM 481 OD2 ASP A 28 -9.202 6.424 -7.486 1.00 24.43 O ATOM 0 H ASP A 28 -5.434 5.569 -6.877 1.00 62.54 H new ATOM 0 HA ASP A 28 -6.488 7.779 -8.407 1.00 43.34 H new ATOM 0 HB2 ASP A 28 -6.780 7.044 -5.443 1.00 22.51 H new ATOM 0 HB3 ASP A 28 -7.773 8.205 -6.301 1.00 22.51 H new ATOM 486 N VAL A 29 -4.075 8.304 -6.233 1.00 44.05 N ATOM 487 CA VAL A 29 -3.182 9.285 -5.578 1.00 71.24 C ATOM 488 C VAL A 29 -1.765 9.219 -6.191 1.00 74.12 C ATOM 489 O VAL A 29 -0.977 8.314 -5.889 1.00 63.15 O ATOM 490 CB VAL A 29 -3.135 9.057 -4.014 1.00 33.20 C ATOM 491 CG1 VAL A 29 -2.006 9.872 -3.338 1.00 51.23 C ATOM 492 CG2 VAL A 29 -4.507 9.366 -3.367 1.00 31.50 C ATOM 0 H VAL A 29 -3.797 7.335 -6.080 1.00 44.05 H new ATOM 0 HA VAL A 29 -3.585 10.283 -5.754 1.00 71.24 H new ATOM 0 HB VAL A 29 -2.909 8.003 -3.851 1.00 33.20 H new ATOM 0 HG11 VAL A 29 -2.013 9.683 -2.265 1.00 51.23 H new ATOM 0 HG12 VAL A 29 -1.043 9.573 -3.753 1.00 51.23 H new ATOM 0 HG13 VAL A 29 -2.165 10.935 -3.520 1.00 51.23 H new ATOM 0 HG21 VAL A 29 -4.447 9.201 -2.291 1.00 31.50 H new ATOM 0 HG22 VAL A 29 -4.775 10.405 -3.561 1.00 31.50 H new ATOM 0 HG23 VAL A 29 -5.266 8.710 -3.793 1.00 31.50 H new ATOM 502 N ASN A 30 -1.464 10.196 -7.062 1.00 74.01 N ATOM 503 CA ASN A 30 -0.144 10.354 -7.702 1.00 54.23 C ATOM 504 C ASN A 30 0.598 11.603 -7.167 1.00 60.44 C ATOM 505 O ASN A 30 1.711 11.893 -7.613 1.00 31.52 O ATOM 506 CB ASN A 30 -0.293 10.389 -9.254 1.00 21.05 C ATOM 507 CG ASN A 30 -1.302 11.416 -9.790 1.00 23.02 C ATOM 508 OD1 ASN A 30 -1.564 12.457 -9.183 1.00 72.54 O ATOM 509 ND2 ASN A 30 -1.873 11.133 -10.945 1.00 13.43 N ATOM 0 H ASN A 30 -2.137 10.908 -7.346 1.00 74.01 H new ATOM 0 HA ASN A 30 0.468 9.490 -7.444 1.00 54.23 H new ATOM 0 HB2 ASN A 30 0.683 10.599 -9.692 1.00 21.05 H new ATOM 0 HB3 ASN A 30 -0.590 9.398 -9.597 1.00 21.05 H new ATOM 0 HD21 ASN A 30 -2.546 11.781 -11.353 1.00 13.43 H new ATOM 0 HD22 ASN A 30 -1.641 10.266 -11.430 1.00 13.43 H new ATOM 516 N SER A 31 -0.016 12.318 -6.199 1.00 23.12 N ATOM 517 CA SER A 31 0.586 13.510 -5.549 1.00 24.41 C ATOM 518 C SER A 31 1.234 13.122 -4.206 1.00 52.13 C ATOM 519 O SER A 31 0.836 12.127 -3.589 1.00 22.42 O ATOM 520 CB SER A 31 -0.508 14.571 -5.315 1.00 21.54 C ATOM 521 OG SER A 31 -1.188 14.884 -6.518 1.00 4.23 O ATOM 0 H SER A 31 -0.944 12.087 -5.844 1.00 23.12 H new ATOM 0 HA SER A 31 1.359 13.918 -6.201 1.00 24.41 H new ATOM 0 HB2 SER A 31 -1.221 14.204 -4.577 1.00 21.54 H new ATOM 0 HB3 SER A 31 -0.059 15.475 -4.903 1.00 21.54 H new ATOM 0 HG SER A 31 -1.877 15.558 -6.339 1.00 4.23 H new ATOM 527 N ARG A 32 2.214 13.936 -3.758 1.00 35.24 N ATOM 528 CA ARG A 32 2.908 13.734 -2.467 1.00 53.53 C ATOM 529 C ARG A 32 2.004 14.140 -1.287 1.00 44.55 C ATOM 530 O ARG A 32 1.971 13.444 -0.279 1.00 50.22 O ATOM 531 CB ARG A 32 4.219 14.560 -2.415 1.00 25.24 C ATOM 532 CG ARG A 32 5.044 14.388 -1.110 1.00 63.22 C ATOM 533 CD ARG A 32 6.181 15.415 -0.973 1.00 73.51 C ATOM 534 NE ARG A 32 6.898 15.281 0.316 1.00 54.22 N ATOM 535 CZ ARG A 32 7.172 16.279 1.178 1.00 40.11 C ATOM 536 NH1 ARG A 32 6.784 17.530 0.930 1.00 33.44 N ATOM 537 NH2 ARG A 32 7.852 16.024 2.289 1.00 60.31 N ATOM 0 H ARG A 32 2.545 14.748 -4.278 1.00 35.24 H new ATOM 0 HA ARG A 32 3.147 12.674 -2.384 1.00 53.53 H new ATOM 0 HB2 ARG A 32 4.843 14.279 -3.263 1.00 25.24 H new ATOM 0 HB3 ARG A 32 3.973 15.615 -2.537 1.00 25.24 H new ATOM 0 HG2 ARG A 32 4.378 14.477 -0.252 1.00 63.22 H new ATOM 0 HG3 ARG A 32 5.465 13.383 -1.084 1.00 63.22 H new ATOM 0 HD2 ARG A 32 6.886 15.287 -1.795 1.00 73.51 H new ATOM 0 HD3 ARG A 32 5.772 16.422 -1.057 1.00 73.51 H new ATOM 0 HE ARG A 32 7.214 14.346 0.575 1.00 54.22 H new ATOM 0 HH11 ARG A 32 6.270 17.745 0.075 1.00 33.44 H new ATOM 0 HH12 ARG A 32 7.001 18.272 1.595 1.00 33.44 H new ATOM 0 HH21 ARG A 32 8.166 15.074 2.488 1.00 60.31 H new ATOM 0 HH22 ARG A 32 8.061 16.778 2.943 1.00 60.31 H new ATOM 551 N GLU A 33 1.298 15.284 -1.429 1.00 11.04 N ATOM 552 CA GLU A 33 0.421 15.851 -0.371 1.00 53.55 C ATOM 553 C GLU A 33 -0.773 14.927 -0.093 1.00 53.05 C ATOM 554 O GLU A 33 -1.147 14.700 1.068 1.00 1.13 O ATOM 555 CB GLU A 33 -0.064 17.263 -0.791 1.00 73.42 C ATOM 556 CG GLU A 33 1.079 18.271 -1.018 1.00 60.20 C ATOM 557 CD GLU A 33 0.585 19.630 -1.530 1.00 31.15 C ATOM 558 OE1 GLU A 33 0.214 19.724 -2.722 1.00 15.34 O ATOM 559 OE2 GLU A 33 0.559 20.619 -0.753 1.00 74.22 O ATOM 0 H GLU A 33 1.318 15.844 -2.281 1.00 11.04 H new ATOM 0 HA GLU A 33 0.997 15.935 0.551 1.00 53.55 H new ATOM 0 HB2 GLU A 33 -0.649 17.179 -1.707 1.00 73.42 H new ATOM 0 HB3 GLU A 33 -0.731 17.652 -0.022 1.00 73.42 H new ATOM 0 HG2 GLU A 33 1.620 18.416 -0.083 1.00 60.20 H new ATOM 0 HG3 GLU A 33 1.787 17.854 -1.734 1.00 60.20 H new ATOM 566 N GLU A 34 -1.330 14.368 -1.179 1.00 13.13 N ATOM 567 CA GLU A 34 -2.444 13.416 -1.108 1.00 34.23 C ATOM 568 C GLU A 34 -1.959 12.068 -0.531 1.00 65.51 C ATOM 569 O GLU A 34 -2.734 11.344 0.086 1.00 4.23 O ATOM 570 CB GLU A 34 -3.100 13.244 -2.508 1.00 41.32 C ATOM 571 CG GLU A 34 -3.521 14.565 -3.200 1.00 60.11 C ATOM 572 CD GLU A 34 -4.561 15.395 -2.414 1.00 13.35 C ATOM 573 OE1 GLU A 34 -4.179 16.148 -1.490 1.00 41.23 O ATOM 574 OE2 GLU A 34 -5.770 15.312 -2.726 1.00 54.12 O ATOM 0 H GLU A 34 -1.019 14.565 -2.130 1.00 13.13 H new ATOM 0 HA GLU A 34 -3.207 13.808 -0.435 1.00 34.23 H new ATOM 0 HB2 GLU A 34 -2.401 12.718 -3.158 1.00 41.32 H new ATOM 0 HB3 GLU A 34 -3.980 12.609 -2.405 1.00 41.32 H new ATOM 0 HG2 GLU A 34 -2.633 15.176 -3.360 1.00 60.11 H new ATOM 0 HG3 GLU A 34 -3.929 14.332 -4.184 1.00 60.11 H new ATOM 581 N ALA A 35 -0.665 11.754 -0.750 1.00 34.53 N ATOM 582 CA ALA A 35 0.003 10.576 -0.154 1.00 21.53 C ATOM 583 C ALA A 35 0.402 10.844 1.319 1.00 42.15 C ATOM 584 O ALA A 35 0.493 9.916 2.127 1.00 44.25 O ATOM 585 CB ALA A 35 1.230 10.187 -0.999 1.00 21.01 C ATOM 0 H ALA A 35 -0.052 12.311 -1.346 1.00 34.53 H new ATOM 0 HA ALA A 35 -0.699 9.742 -0.153 1.00 21.53 H new ATOM 0 HB1 ALA A 35 1.717 9.319 -0.555 1.00 21.01 H new ATOM 0 HB2 ALA A 35 0.912 9.945 -2.013 1.00 21.01 H new ATOM 0 HB3 ALA A 35 1.931 11.021 -1.028 1.00 21.01 H new ATOM 591 N SER A 36 0.592 12.130 1.659 1.00 72.12 N ATOM 592 CA SER A 36 1.017 12.574 3.005 1.00 11.22 C ATOM 593 C SER A 36 -0.185 12.560 3.969 1.00 44.44 C ATOM 594 O SER A 36 -0.005 12.494 5.191 1.00 52.42 O ATOM 595 CB SER A 36 1.652 13.989 2.926 1.00 13.13 C ATOM 596 OG SER A 36 2.194 14.401 4.173 1.00 10.42 O ATOM 0 H SER A 36 0.455 12.900 1.004 1.00 72.12 H new ATOM 0 HA SER A 36 1.770 11.885 3.388 1.00 11.22 H new ATOM 0 HB2 SER A 36 2.438 13.992 2.171 1.00 13.13 H new ATOM 0 HB3 SER A 36 0.898 14.707 2.604 1.00 13.13 H new ATOM 0 HG SER A 36 2.585 15.295 4.080 1.00 10.42 H new ATOM 602 N LYS A 37 -1.415 12.654 3.408 1.00 44.14 N ATOM 603 CA LYS A 37 -2.659 12.469 4.181 1.00 2.45 C ATOM 604 C LYS A 37 -3.139 11.001 4.121 1.00 13.12 C ATOM 605 O LYS A 37 -4.192 10.664 4.671 1.00 51.35 O ATOM 606 CB LYS A 37 -3.766 13.452 3.698 1.00 31.12 C ATOM 607 CG LYS A 37 -4.370 13.151 2.314 1.00 23.55 C ATOM 608 CD LYS A 37 -5.326 14.264 1.830 1.00 74.11 C ATOM 609 CE LYS A 37 -6.053 13.896 0.533 1.00 33.11 C ATOM 610 NZ LYS A 37 -6.826 15.037 -0.022 1.00 24.24 N ATOM 0 H LYS A 37 -1.568 12.857 2.420 1.00 44.14 H new ATOM 0 HA LYS A 37 -2.445 12.700 5.225 1.00 2.45 H new ATOM 0 HB2 LYS A 37 -4.571 13.453 4.433 1.00 31.12 H new ATOM 0 HB3 LYS A 37 -3.349 14.459 3.681 1.00 31.12 H new ATOM 0 HG2 LYS A 37 -3.565 13.027 1.589 1.00 23.55 H new ATOM 0 HG3 LYS A 37 -4.910 12.205 2.355 1.00 23.55 H new ATOM 0 HD2 LYS A 37 -6.061 14.470 2.608 1.00 74.11 H new ATOM 0 HD3 LYS A 37 -4.759 15.182 1.676 1.00 74.11 H new ATOM 0 HE2 LYS A 37 -5.326 13.559 -0.206 1.00 33.11 H new ATOM 0 HE3 LYS A 37 -6.727 13.060 0.721 1.00 33.11 H new ATOM 0 HZ1 LYS A 37 -6.621 15.134 -1.037 1.00 24.24 H new ATOM 0 HZ2 LYS A 37 -7.843 14.865 0.111 1.00 24.24 H new ATOM 0 HZ3 LYS A 37 -6.556 15.912 0.471 1.00 24.24 H new ATOM 624 N LEU A 38 -2.358 10.133 3.438 1.00 73.24 N ATOM 625 CA LEU A 38 -2.572 8.668 3.454 1.00 72.42 C ATOM 626 C LEU A 38 -1.865 8.016 4.659 1.00 51.52 C ATOM 627 O LEU A 38 -2.106 6.839 4.943 1.00 51.22 O ATOM 628 CB LEU A 38 -2.092 8.000 2.126 1.00 43.40 C ATOM 629 CG LEU A 38 -2.989 8.211 0.869 1.00 65.45 C ATOM 630 CD1 LEU A 38 -2.411 7.495 -0.370 1.00 25.05 C ATOM 631 CD2 LEU A 38 -4.431 7.759 1.137 1.00 61.20 C ATOM 0 H LEU A 38 -1.567 10.426 2.864 1.00 73.24 H new ATOM 0 HA LEU A 38 -3.646 8.504 3.548 1.00 72.42 H new ATOM 0 HB2 LEU A 38 -1.094 8.375 1.898 1.00 43.40 H new ATOM 0 HB3 LEU A 38 -1.997 6.928 2.300 1.00 43.40 H new ATOM 0 HG LEU A 38 -3.002 9.280 0.656 1.00 65.45 H new ATOM 0 HD11 LEU A 38 -3.064 7.665 -1.226 1.00 25.05 H new ATOM 0 HD12 LEU A 38 -1.418 7.888 -0.587 1.00 25.05 H new ATOM 0 HD13 LEU A 38 -2.342 6.425 -0.173 1.00 25.05 H new ATOM 0 HD21 LEU A 38 -5.034 7.918 0.243 1.00 61.20 H new ATOM 0 HD22 LEU A 38 -4.438 6.700 1.396 1.00 61.20 H new ATOM 0 HD23 LEU A 38 -4.846 8.338 1.962 1.00 61.20 H new ATOM 643 N ILE A 39 -0.996 8.786 5.355 1.00 3.14 N ATOM 644 CA ILE A 39 -0.296 8.312 6.562 1.00 34.34 C ATOM 645 C ILE A 39 -1.334 8.007 7.665 1.00 55.01 C ATOM 646 O ILE A 39 -2.188 8.852 7.972 1.00 34.23 O ATOM 647 CB ILE A 39 0.767 9.362 7.086 1.00 71.04 C ATOM 648 CG1 ILE A 39 1.755 9.805 5.949 1.00 23.12 C ATOM 649 CG2 ILE A 39 1.551 8.813 8.309 1.00 3.53 C ATOM 650 CD1 ILE A 39 2.545 8.686 5.299 1.00 23.25 C ATOM 0 H ILE A 39 -0.765 9.745 5.095 1.00 3.14 H new ATOM 0 HA ILE A 39 0.251 7.406 6.302 1.00 34.34 H new ATOM 0 HB ILE A 39 0.212 10.243 7.407 1.00 71.04 H new ATOM 0 HG12 ILE A 39 1.185 10.320 5.176 1.00 23.12 H new ATOM 0 HG13 ILE A 39 2.457 10.529 6.363 1.00 23.12 H new ATOM 0 HG21 ILE A 39 2.272 9.559 8.643 1.00 3.53 H new ATOM 0 HG22 ILE A 39 0.855 8.593 9.118 1.00 3.53 H new ATOM 0 HG23 ILE A 39 2.077 7.902 8.025 1.00 3.53 H new ATOM 0 HD11 ILE A 39 3.196 9.100 4.529 1.00 23.25 H new ATOM 0 HD12 ILE A 39 3.150 8.182 6.053 1.00 23.25 H new ATOM 0 HD13 ILE A 39 1.858 7.970 4.848 1.00 23.25 H new ATOM 662 N GLY A 40 -1.273 6.790 8.214 1.00 72.33 N ATOM 663 CA GLY A 40 -2.184 6.354 9.268 1.00 31.21 C ATOM 664 C GLY A 40 -3.446 5.677 8.738 1.00 44.24 C ATOM 665 O GLY A 40 -4.359 5.393 9.518 1.00 12.35 O ATOM 0 H GLY A 40 -0.591 6.083 7.939 1.00 72.33 H new ATOM 0 HA2 GLY A 40 -1.660 5.663 9.928 1.00 31.21 H new ATOM 0 HA3 GLY A 40 -2.469 7.216 9.871 1.00 31.21 H new ATOM 669 N ARG A 41 -3.513 5.413 7.410 1.00 3.51 N ATOM 670 CA ARG A 41 -4.671 4.717 6.803 1.00 62.52 C ATOM 671 C ARG A 41 -4.401 3.219 6.656 1.00 72.04 C ATOM 672 O ARG A 41 -3.259 2.796 6.440 1.00 73.31 O ATOM 673 CB ARG A 41 -5.056 5.329 5.436 1.00 34.10 C ATOM 674 CG ARG A 41 -5.500 6.804 5.501 1.00 52.23 C ATOM 675 CD ARG A 41 -6.166 7.270 4.204 1.00 2.23 C ATOM 676 NE ARG A 41 -6.384 8.725 4.173 1.00 24.11 N ATOM 677 CZ ARG A 41 -7.172 9.364 3.298 1.00 43.21 C ATOM 678 NH1 ARG A 41 -7.850 8.688 2.366 1.00 11.21 N ATOM 679 NH2 ARG A 41 -7.254 10.685 3.333 1.00 24.10 N ATOM 0 H ARG A 41 -2.784 5.670 6.744 1.00 3.51 H new ATOM 0 HA ARG A 41 -5.514 4.852 7.481 1.00 62.52 H new ATOM 0 HB2 ARG A 41 -4.203 5.248 4.762 1.00 34.10 H new ATOM 0 HB3 ARG A 41 -5.862 4.738 5.001 1.00 34.10 H new ATOM 0 HG2 ARG A 41 -6.195 6.935 6.331 1.00 52.23 H new ATOM 0 HG3 ARG A 41 -4.634 7.433 5.708 1.00 52.23 H new ATOM 0 HD2 ARG A 41 -5.545 6.981 3.356 1.00 2.23 H new ATOM 0 HD3 ARG A 41 -7.122 6.760 4.087 1.00 2.23 H new ATOM 0 HE ARG A 41 -5.899 9.290 4.870 1.00 24.11 H new ATOM 0 HH11 ARG A 41 -7.771 7.672 2.314 1.00 11.21 H new ATOM 0 HH12 ARG A 41 -8.446 9.188 1.706 1.00 11.21 H new ATOM 0 HH21 ARG A 41 -6.719 11.211 4.024 1.00 24.10 H new ATOM 0 HH22 ARG A 41 -7.852 11.177 2.669 1.00 24.10 H new ATOM 693 N LEU A 42 -5.492 2.444 6.714 1.00 1.02 N ATOM 694 CA LEU A 42 -5.467 0.980 6.781 1.00 64.31 C ATOM 695 C LEU A 42 -5.517 0.392 5.366 1.00 21.01 C ATOM 696 O LEU A 42 -6.510 0.553 4.654 1.00 4.43 O ATOM 697 CB LEU A 42 -6.693 0.503 7.599 1.00 62.21 C ATOM 698 CG LEU A 42 -6.791 -1.024 7.905 1.00 62.12 C ATOM 699 CD1 LEU A 42 -5.630 -1.498 8.806 1.00 75.10 C ATOM 700 CD2 LEU A 42 -8.165 -1.364 8.520 1.00 11.55 C ATOM 0 H LEU A 42 -6.437 2.828 6.716 1.00 1.02 H new ATOM 0 HA LEU A 42 -4.548 0.644 7.262 1.00 64.31 H new ATOM 0 HB2 LEU A 42 -6.696 1.039 8.548 1.00 62.21 H new ATOM 0 HB3 LEU A 42 -7.594 0.799 7.062 1.00 62.21 H new ATOM 0 HG LEU A 42 -6.700 -1.565 6.963 1.00 62.12 H new ATOM 0 HD11 LEU A 42 -5.731 -2.566 8.998 1.00 75.10 H new ATOM 0 HD12 LEU A 42 -4.680 -1.308 8.306 1.00 75.10 H new ATOM 0 HD13 LEU A 42 -5.658 -0.955 9.751 1.00 75.10 H new ATOM 0 HD21 LEU A 42 -8.216 -2.433 8.727 1.00 11.55 H new ATOM 0 HD22 LEU A 42 -8.296 -0.808 9.448 1.00 11.55 H new ATOM 0 HD23 LEU A 42 -8.955 -1.092 7.820 1.00 11.55 H new ATOM 712 N VAL A 43 -4.448 -0.302 4.973 1.00 24.53 N ATOM 713 CA VAL A 43 -4.341 -0.925 3.650 1.00 35.21 C ATOM 714 C VAL A 43 -4.725 -2.407 3.755 1.00 12.43 C ATOM 715 O VAL A 43 -4.059 -3.194 4.440 1.00 23.54 O ATOM 716 CB VAL A 43 -2.884 -0.784 3.069 1.00 35.35 C ATOM 717 CG1 VAL A 43 -2.771 -1.407 1.656 1.00 20.10 C ATOM 718 CG2 VAL A 43 -2.453 0.697 3.062 1.00 41.42 C ATOM 0 H VAL A 43 -3.629 -0.449 5.563 1.00 24.53 H new ATOM 0 HA VAL A 43 -5.022 -0.414 2.969 1.00 35.21 H new ATOM 0 HB VAL A 43 -2.206 -1.338 3.718 1.00 35.35 H new ATOM 0 HG11 VAL A 43 -1.752 -1.291 1.288 1.00 20.10 H new ATOM 0 HG12 VAL A 43 -3.021 -2.467 1.705 1.00 20.10 H new ATOM 0 HG13 VAL A 43 -3.461 -0.902 0.980 1.00 20.10 H new ATOM 0 HG21 VAL A 43 -1.444 0.780 2.658 1.00 41.42 H new ATOM 0 HG22 VAL A 43 -3.141 1.273 2.443 1.00 41.42 H new ATOM 0 HG23 VAL A 43 -2.469 1.086 4.080 1.00 41.42 H new ATOM 728 N LEU A 44 -5.826 -2.755 3.088 1.00 75.43 N ATOM 729 CA LEU A 44 -6.322 -4.123 2.983 1.00 62.31 C ATOM 730 C LEU A 44 -5.770 -4.740 1.696 1.00 40.45 C ATOM 731 O LEU A 44 -6.236 -4.407 0.598 1.00 11.23 O ATOM 732 CB LEU A 44 -7.885 -4.128 2.962 1.00 73.24 C ATOM 733 CG LEU A 44 -8.597 -3.465 4.184 1.00 42.43 C ATOM 734 CD1 LEU A 44 -10.131 -3.621 4.097 1.00 34.23 C ATOM 735 CD2 LEU A 44 -8.052 -4.013 5.514 1.00 52.14 C ATOM 0 H LEU A 44 -6.408 -2.077 2.596 1.00 75.43 H new ATOM 0 HA LEU A 44 -5.993 -4.707 3.843 1.00 62.31 H new ATOM 0 HB2 LEU A 44 -8.216 -3.620 2.056 1.00 73.24 H new ATOM 0 HB3 LEU A 44 -8.223 -5.162 2.889 1.00 73.24 H new ATOM 0 HG LEU A 44 -8.375 -2.398 4.153 1.00 42.43 H new ATOM 0 HD11 LEU A 44 -10.594 -3.148 4.963 1.00 34.23 H new ATOM 0 HD12 LEU A 44 -10.494 -3.145 3.186 1.00 34.23 H new ATOM 0 HD13 LEU A 44 -10.389 -4.680 4.080 1.00 34.23 H new ATOM 0 HD21 LEU A 44 -8.568 -3.531 6.345 1.00 52.14 H new ATOM 0 HD22 LEU A 44 -8.217 -5.089 5.559 1.00 52.14 H new ATOM 0 HD23 LEU A 44 -6.984 -3.807 5.582 1.00 52.14 H new ATOM 747 N TRP A 45 -4.732 -5.580 1.820 1.00 61.11 N ATOM 748 CA TRP A 45 -4.232 -6.354 0.677 1.00 4.24 C ATOM 749 C TRP A 45 -4.697 -7.794 0.832 1.00 72.24 C ATOM 750 O TRP A 45 -4.533 -8.397 1.887 1.00 21.42 O ATOM 751 CB TRP A 45 -2.691 -6.321 0.538 1.00 40.32 C ATOM 752 CG TRP A 45 -2.201 -7.106 -0.672 1.00 43.45 C ATOM 753 CD1 TRP A 45 -2.513 -6.866 -1.982 1.00 55.23 C ATOM 754 CD2 TRP A 45 -1.354 -8.267 -0.682 1.00 34.41 C ATOM 755 NE1 TRP A 45 -1.898 -7.777 -2.790 1.00 14.12 N ATOM 756 CE2 TRP A 45 -1.184 -8.645 -2.022 1.00 51.45 C ATOM 757 CE3 TRP A 45 -0.721 -9.012 0.310 1.00 14.31 C ATOM 758 CZ2 TRP A 45 -0.410 -9.731 -2.400 1.00 62.53 C ATOM 759 CZ3 TRP A 45 0.051 -10.102 -0.064 1.00 11.14 C ATOM 760 CH2 TRP A 45 0.202 -10.449 -1.415 1.00 21.21 C ATOM 0 H TRP A 45 -4.227 -5.739 2.692 1.00 61.11 H new ATOM 0 HA TRP A 45 -4.632 -5.898 -0.229 1.00 4.24 H new ATOM 0 HB2 TRP A 45 -2.358 -5.286 0.456 1.00 40.32 H new ATOM 0 HB3 TRP A 45 -2.238 -6.730 1.441 1.00 40.32 H new ATOM 0 HD1 TRP A 45 -3.155 -6.069 -2.327 1.00 55.23 H new ATOM 0 HE1 TRP A 45 -1.963 -7.804 -3.808 1.00 14.12 H new ATOM 0 HE3 TRP A 45 -0.829 -8.746 1.351 1.00 14.31 H new ATOM 0 HZ2 TRP A 45 -0.295 -10.000 -3.440 1.00 62.53 H new ATOM 0 HZ3 TRP A 45 0.543 -10.692 0.695 1.00 11.14 H new ATOM 0 HH2 TRP A 45 0.813 -11.299 -1.680 1.00 21.21 H new ATOM 771 N LYS A 46 -5.257 -8.329 -0.240 1.00 23.33 N ATOM 772 CA LYS A 46 -5.675 -9.715 -0.317 1.00 73.01 C ATOM 773 C LYS A 46 -4.539 -10.493 -0.988 1.00 41.42 C ATOM 774 O LYS A 46 -4.174 -10.202 -2.131 1.00 14.33 O ATOM 775 CB LYS A 46 -7.001 -9.812 -1.117 1.00 63.20 C ATOM 776 CG LYS A 46 -7.515 -11.247 -1.383 1.00 15.33 C ATOM 777 CD LYS A 46 -8.853 -11.276 -2.170 1.00 72.44 C ATOM 778 CE LYS A 46 -8.800 -10.501 -3.506 1.00 32.55 C ATOM 779 NZ LYS A 46 -7.740 -11.011 -4.416 1.00 10.44 N ATOM 0 H LYS A 46 -5.436 -7.802 -1.095 1.00 23.33 H new ATOM 0 HA LYS A 46 -5.867 -10.137 0.669 1.00 73.01 H new ATOM 0 HB2 LYS A 46 -7.772 -9.263 -0.577 1.00 63.20 H new ATOM 0 HB3 LYS A 46 -6.865 -9.310 -2.075 1.00 63.20 H new ATOM 0 HG2 LYS A 46 -6.760 -11.800 -1.941 1.00 15.33 H new ATOM 0 HG3 LYS A 46 -7.648 -11.761 -0.431 1.00 15.33 H new ATOM 0 HD2 LYS A 46 -9.125 -12.312 -2.371 1.00 72.44 H new ATOM 0 HD3 LYS A 46 -9.641 -10.855 -1.546 1.00 72.44 H new ATOM 0 HE2 LYS A 46 -9.767 -10.573 -4.003 1.00 32.55 H new ATOM 0 HE3 LYS A 46 -8.624 -9.445 -3.303 1.00 32.55 H new ATOM 0 HZ1 LYS A 46 -7.756 -10.471 -5.304 1.00 10.44 H new ATOM 0 HZ2 LYS A 46 -6.811 -10.903 -3.961 1.00 10.44 H new ATOM 0 HZ3 LYS A 46 -7.911 -12.016 -4.619 1.00 10.44 H new ATOM 793 N SER A 47 -3.925 -11.405 -0.218 1.00 35.14 N ATOM 794 CA SER A 47 -2.917 -12.360 -0.712 1.00 43.14 C ATOM 795 C SER A 47 -3.496 -13.240 -1.860 1.00 22.24 C ATOM 796 O SER A 47 -4.721 -13.408 -1.937 1.00 41.01 O ATOM 797 CB SER A 47 -2.440 -13.236 0.481 1.00 10.30 C ATOM 798 OG SER A 47 -3.511 -13.987 1.041 1.00 74.44 O ATOM 0 H SER A 47 -4.116 -11.502 0.779 1.00 35.14 H new ATOM 0 HA SER A 47 -2.068 -11.816 -1.126 1.00 43.14 H new ATOM 0 HB2 SER A 47 -1.656 -13.915 0.144 1.00 10.30 H new ATOM 0 HB3 SER A 47 -2.002 -12.598 1.249 1.00 10.30 H new ATOM 0 HG SER A 47 -4.227 -13.378 1.319 1.00 74.44 H new ATOM 804 N PRO A 48 -2.632 -13.811 -2.772 1.00 23.03 N ATOM 805 CA PRO A 48 -3.084 -14.740 -3.858 1.00 51.55 C ATOM 806 C PRO A 48 -3.872 -15.966 -3.314 1.00 53.50 C ATOM 807 O PRO A 48 -4.695 -16.555 -4.023 1.00 53.34 O ATOM 808 CB PRO A 48 -1.759 -15.171 -4.539 1.00 44.13 C ATOM 809 CG PRO A 48 -0.782 -14.088 -4.208 1.00 20.10 C ATOM 810 CD PRO A 48 -1.162 -13.592 -2.831 1.00 2.34 C ATOM 0 HA PRO A 48 -3.783 -14.259 -4.542 1.00 51.55 H new ATOM 0 HB2 PRO A 48 -1.419 -16.137 -4.165 1.00 44.13 H new ATOM 0 HB3 PRO A 48 -1.885 -15.273 -5.617 1.00 44.13 H new ATOM 0 HG2 PRO A 48 0.240 -14.468 -4.218 1.00 20.10 H new ATOM 0 HG3 PRO A 48 -0.830 -13.282 -4.940 1.00 20.10 H new ATOM 0 HD2 PRO A 48 -0.643 -14.145 -2.048 1.00 2.34 H new ATOM 0 HD3 PRO A 48 -0.908 -12.540 -2.700 1.00 2.34 H new ATOM 818 N SER A 49 -3.592 -16.308 -2.042 1.00 0.51 N ATOM 819 CA SER A 49 -4.273 -17.376 -1.285 1.00 72.10 C ATOM 820 C SER A 49 -5.800 -17.120 -1.189 1.00 41.34 C ATOM 821 O SER A 49 -6.609 -18.053 -1.280 1.00 11.53 O ATOM 822 CB SER A 49 -3.638 -17.445 0.130 1.00 1.11 C ATOM 823 OG SER A 49 -4.168 -18.500 0.907 1.00 0.25 O ATOM 0 H SER A 49 -2.868 -15.838 -1.499 1.00 0.51 H new ATOM 0 HA SER A 49 -4.145 -18.326 -1.803 1.00 72.10 H new ATOM 0 HB2 SER A 49 -2.560 -17.573 0.036 1.00 1.11 H new ATOM 0 HB3 SER A 49 -3.803 -16.499 0.646 1.00 1.11 H new ATOM 0 HG SER A 49 -3.738 -18.506 1.788 1.00 0.25 H new ATOM 829 N GLY A 50 -6.167 -15.831 -1.020 1.00 34.32 N ATOM 830 CA GLY A 50 -7.560 -15.399 -0.836 1.00 13.22 C ATOM 831 C GLY A 50 -7.767 -14.691 0.497 1.00 72.21 C ATOM 832 O GLY A 50 -8.826 -14.113 0.738 1.00 53.31 O ATOM 0 H GLY A 50 -5.498 -15.061 -1.008 1.00 34.32 H new ATOM 0 HA2 GLY A 50 -7.843 -14.730 -1.649 1.00 13.22 H new ATOM 0 HA3 GLY A 50 -8.219 -16.266 -0.892 1.00 13.22 H new ATOM 836 N LYS A 51 -6.730 -14.738 1.351 1.00 13.12 N ATOM 837 CA LYS A 51 -6.730 -14.146 2.702 1.00 14.13 C ATOM 838 C LYS A 51 -6.418 -12.639 2.621 1.00 3.03 C ATOM 839 O LYS A 51 -5.737 -12.209 1.698 1.00 73.55 O ATOM 840 CB LYS A 51 -5.651 -14.863 3.559 1.00 54.12 C ATOM 841 CG LYS A 51 -5.803 -16.396 3.643 1.00 22.13 C ATOM 842 CD LYS A 51 -7.082 -16.858 4.381 1.00 2.40 C ATOM 843 CE LYS A 51 -7.094 -16.438 5.863 1.00 3.23 C ATOM 844 NZ LYS A 51 -8.319 -16.901 6.562 1.00 55.44 N ATOM 0 H LYS A 51 -5.850 -15.198 1.118 1.00 13.12 H new ATOM 0 HA LYS A 51 -7.712 -14.272 3.158 1.00 14.13 H new ATOM 0 HB2 LYS A 51 -4.668 -14.632 3.148 1.00 54.12 H new ATOM 0 HB3 LYS A 51 -5.679 -14.454 4.569 1.00 54.12 H new ATOM 0 HG2 LYS A 51 -5.809 -16.807 2.633 1.00 22.13 H new ATOM 0 HG3 LYS A 51 -4.932 -16.811 4.151 1.00 22.13 H new ATOM 0 HD2 LYS A 51 -7.956 -16.440 3.882 1.00 2.40 H new ATOM 0 HD3 LYS A 51 -7.164 -17.943 4.314 1.00 2.40 H new ATOM 0 HE2 LYS A 51 -6.215 -16.846 6.363 1.00 3.23 H new ATOM 0 HE3 LYS A 51 -7.025 -15.352 5.933 1.00 3.23 H new ATOM 0 HZ1 LYS A 51 -8.287 -16.598 7.556 1.00 55.44 H new ATOM 0 HZ2 LYS A 51 -9.157 -16.492 6.102 1.00 55.44 H new ATOM 0 HZ3 LYS A 51 -8.372 -17.939 6.518 1.00 55.44 H new ATOM 858 N ILE A 52 -6.892 -11.853 3.607 1.00 41.31 N ATOM 859 CA ILE A 52 -6.683 -10.380 3.635 1.00 74.43 C ATOM 860 C ILE A 52 -5.703 -10.000 4.774 1.00 64.54 C ATOM 861 O ILE A 52 -6.034 -10.123 5.966 1.00 5.33 O ATOM 862 CB ILE A 52 -8.050 -9.593 3.782 1.00 74.22 C ATOM 863 CG1 ILE A 52 -9.023 -9.989 2.618 1.00 15.13 C ATOM 864 CG2 ILE A 52 -7.823 -8.050 3.823 1.00 60.20 C ATOM 865 CD1 ILE A 52 -10.414 -9.373 2.687 1.00 41.41 C ATOM 0 H ILE A 52 -7.425 -12.209 4.400 1.00 41.31 H new ATOM 0 HA ILE A 52 -6.245 -10.087 2.681 1.00 74.43 H new ATOM 0 HB ILE A 52 -8.505 -9.874 4.732 1.00 74.22 H new ATOM 0 HG12 ILE A 52 -8.565 -9.703 1.672 1.00 15.13 H new ATOM 0 HG13 ILE A 52 -9.125 -11.074 2.607 1.00 15.13 H new ATOM 0 HG21 ILE A 52 -8.783 -7.544 3.924 1.00 60.20 H new ATOM 0 HG22 ILE A 52 -7.188 -7.798 4.673 1.00 60.20 H new ATOM 0 HG23 ILE A 52 -7.339 -7.729 2.901 1.00 60.20 H new ATOM 0 HD11 ILE A 52 -11.005 -9.712 1.836 1.00 41.41 H new ATOM 0 HD12 ILE A 52 -10.902 -9.679 3.612 1.00 41.41 H new ATOM 0 HD13 ILE A 52 -10.332 -8.286 2.662 1.00 41.41 H new ATOM 877 N LEU A 53 -4.484 -9.587 4.379 1.00 30.11 N ATOM 878 CA LEU A 53 -3.452 -9.074 5.295 1.00 62.15 C ATOM 879 C LEU A 53 -3.728 -7.597 5.639 1.00 14.21 C ATOM 880 O LEU A 53 -4.149 -6.810 4.770 1.00 45.42 O ATOM 881 CB LEU A 53 -2.039 -9.213 4.650 1.00 21.33 C ATOM 882 CG LEU A 53 -1.630 -10.642 4.167 1.00 12.14 C ATOM 883 CD1 LEU A 53 -0.178 -10.659 3.634 1.00 43.43 C ATOM 884 CD2 LEU A 53 -1.834 -11.694 5.275 1.00 43.10 C ATOM 0 H LEU A 53 -4.186 -9.601 3.404 1.00 30.11 H new ATOM 0 HA LEU A 53 -3.481 -9.662 6.212 1.00 62.15 H new ATOM 0 HB2 LEU A 53 -1.985 -8.536 3.797 1.00 21.33 H new ATOM 0 HB3 LEU A 53 -1.299 -8.873 5.374 1.00 21.33 H new ATOM 0 HG LEU A 53 -2.289 -10.909 3.341 1.00 12.14 H new ATOM 0 HD11 LEU A 53 0.077 -11.667 3.306 1.00 43.43 H new ATOM 0 HD12 LEU A 53 -0.091 -9.970 2.794 1.00 43.43 H new ATOM 0 HD13 LEU A 53 0.504 -10.352 4.427 1.00 43.43 H new ATOM 0 HD21 LEU A 53 -1.539 -12.675 4.904 1.00 43.10 H new ATOM 0 HD22 LEU A 53 -1.223 -11.435 6.140 1.00 43.10 H new ATOM 0 HD23 LEU A 53 -2.884 -11.717 5.566 1.00 43.10 H new ATOM 896 N LYS A 54 -3.463 -7.236 6.903 1.00 34.41 N ATOM 897 CA LYS A 54 -3.665 -5.877 7.427 1.00 71.11 C ATOM 898 C LYS A 54 -2.338 -5.102 7.370 1.00 32.33 C ATOM 899 O LYS A 54 -1.310 -5.600 7.848 1.00 41.04 O ATOM 900 CB LYS A 54 -4.164 -5.940 8.895 1.00 31.24 C ATOM 901 CG LYS A 54 -5.391 -6.845 9.146 1.00 53.20 C ATOM 902 CD LYS A 54 -6.663 -6.392 8.401 1.00 3.32 C ATOM 903 CE LYS A 54 -7.090 -4.965 8.769 1.00 51.13 C ATOM 904 NZ LYS A 54 -7.331 -4.789 10.222 1.00 12.33 N ATOM 0 H LYS A 54 -3.098 -7.887 7.598 1.00 34.41 H new ATOM 0 HA LYS A 54 -4.413 -5.369 6.818 1.00 71.11 H new ATOM 0 HB2 LYS A 54 -3.344 -6.288 9.524 1.00 31.24 H new ATOM 0 HB3 LYS A 54 -4.408 -4.929 9.220 1.00 31.24 H new ATOM 0 HG2 LYS A 54 -5.147 -7.863 8.843 1.00 53.20 H new ATOM 0 HG3 LYS A 54 -5.598 -6.872 10.216 1.00 53.20 H new ATOM 0 HD2 LYS A 54 -6.489 -6.449 7.326 1.00 3.32 H new ATOM 0 HD3 LYS A 54 -7.477 -7.080 8.629 1.00 3.32 H new ATOM 0 HE2 LYS A 54 -6.318 -4.266 8.447 1.00 51.13 H new ATOM 0 HE3 LYS A 54 -7.998 -4.711 8.222 1.00 51.13 H new ATOM 0 HZ1 LYS A 54 -7.665 -3.821 10.404 1.00 12.33 H new ATOM 0 HZ2 LYS A 54 -8.051 -5.469 10.539 1.00 12.33 H new ATOM 0 HZ3 LYS A 54 -6.446 -4.953 10.743 1.00 12.33 H new ATOM 918 N GLY A 55 -2.372 -3.900 6.782 1.00 52.43 N ATOM 919 CA GLY A 55 -1.208 -3.008 6.704 1.00 55.13 C ATOM 920 C GLY A 55 -1.593 -1.569 6.980 1.00 54.01 C ATOM 921 O GLY A 55 -2.782 -1.263 7.125 1.00 44.22 O ATOM 0 H GLY A 55 -3.210 -3.517 6.345 1.00 52.43 H new ATOM 0 HA2 GLY A 55 -0.454 -3.328 7.423 1.00 55.13 H new ATOM 0 HA3 GLY A 55 -0.757 -3.082 5.714 1.00 55.13 H new ATOM 925 N LYS A 56 -0.592 -0.677 7.074 1.00 71.03 N ATOM 926 CA LYS A 56 -0.828 0.764 7.303 1.00 44.44 C ATOM 927 C LYS A 56 0.312 1.599 6.716 1.00 41.10 C ATOM 928 O LYS A 56 1.488 1.300 6.954 1.00 73.11 O ATOM 929 CB LYS A 56 -1.005 1.061 8.815 1.00 4.33 C ATOM 930 CG LYS A 56 -1.242 2.560 9.162 1.00 42.45 C ATOM 931 CD LYS A 56 -1.735 2.777 10.612 1.00 33.55 C ATOM 932 CE LYS A 56 -3.116 2.141 10.858 1.00 41.43 C ATOM 933 NZ LYS A 56 -3.543 2.270 12.273 1.00 74.02 N ATOM 0 H LYS A 56 0.394 -0.928 6.995 1.00 71.03 H new ATOM 0 HA LYS A 56 -1.751 1.042 6.794 1.00 44.44 H new ATOM 0 HB2 LYS A 56 -1.847 0.478 9.189 1.00 4.33 H new ATOM 0 HB3 LYS A 56 -0.117 0.716 9.345 1.00 4.33 H new ATOM 0 HG2 LYS A 56 -0.314 3.112 9.014 1.00 42.45 H new ATOM 0 HG3 LYS A 56 -1.974 2.976 8.470 1.00 42.45 H new ATOM 0 HD2 LYS A 56 -1.012 2.351 11.307 1.00 33.55 H new ATOM 0 HD3 LYS A 56 -1.787 3.846 10.820 1.00 33.55 H new ATOM 0 HE2 LYS A 56 -3.854 2.616 10.212 1.00 41.43 H new ATOM 0 HE3 LYS A 56 -3.084 1.087 10.584 1.00 41.43 H new ATOM 0 HZ1 LYS A 56 -4.477 1.829 12.395 1.00 74.02 H new ATOM 0 HZ2 LYS A 56 -2.853 1.795 12.889 1.00 74.02 H new ATOM 0 HZ3 LYS A 56 -3.599 3.277 12.528 1.00 74.02 H new ATOM 947 N ILE A 57 -0.056 2.648 5.962 1.00 0.24 N ATOM 948 CA ILE A 57 0.899 3.598 5.371 1.00 43.13 C ATOM 949 C ILE A 57 1.564 4.424 6.484 1.00 2.30 C ATOM 950 O ILE A 57 0.938 5.301 7.073 1.00 13.13 O ATOM 951 CB ILE A 57 0.186 4.541 4.335 1.00 3.25 C ATOM 952 CG1 ILE A 57 -0.535 3.693 3.253 1.00 43.10 C ATOM 953 CG2 ILE A 57 1.182 5.546 3.692 1.00 1.21 C ATOM 954 CD1 ILE A 57 -1.447 4.476 2.341 1.00 25.13 C ATOM 0 H ILE A 57 -1.029 2.861 5.745 1.00 0.24 H new ATOM 0 HA ILE A 57 1.665 3.036 4.837 1.00 43.13 H new ATOM 0 HB ILE A 57 -0.559 5.131 4.869 1.00 3.25 H new ATOM 0 HG12 ILE A 57 0.217 3.188 2.646 1.00 43.10 H new ATOM 0 HG13 ILE A 57 -1.118 2.917 3.748 1.00 43.10 H new ATOM 0 HG21 ILE A 57 0.651 6.180 2.982 1.00 1.21 H new ATOM 0 HG22 ILE A 57 1.627 6.166 4.470 1.00 1.21 H new ATOM 0 HG23 ILE A 57 1.968 4.998 3.172 1.00 1.21 H new ATOM 0 HD11 ILE A 57 -1.906 3.801 1.619 1.00 25.13 H new ATOM 0 HD12 ILE A 57 -2.225 4.959 2.932 1.00 25.13 H new ATOM 0 HD13 ILE A 57 -0.869 5.234 1.813 1.00 25.13 H new ATOM 966 N VAL A 58 2.818 4.091 6.795 1.00 12.41 N ATOM 967 CA VAL A 58 3.597 4.797 7.829 1.00 41.53 C ATOM 968 C VAL A 58 4.388 5.964 7.195 1.00 14.10 C ATOM 969 O VAL A 58 4.481 7.051 7.776 1.00 60.33 O ATOM 970 CB VAL A 58 4.553 3.811 8.610 1.00 71.11 C ATOM 971 CG1 VAL A 58 3.743 2.691 9.313 1.00 42.25 C ATOM 972 CG2 VAL A 58 5.633 3.210 7.689 1.00 21.12 C ATOM 0 H VAL A 58 3.325 3.330 6.344 1.00 12.41 H new ATOM 0 HA VAL A 58 2.900 5.209 8.559 1.00 41.53 H new ATOM 0 HB VAL A 58 5.064 4.396 9.375 1.00 71.11 H new ATOM 0 HG11 VAL A 58 4.425 2.026 9.843 1.00 42.25 H new ATOM 0 HG12 VAL A 58 3.046 3.137 10.023 1.00 42.25 H new ATOM 0 HG13 VAL A 58 3.187 2.121 8.568 1.00 42.25 H new ATOM 0 HG21 VAL A 58 6.269 2.538 8.265 1.00 21.12 H new ATOM 0 HG22 VAL A 58 5.155 2.655 6.882 1.00 21.12 H new ATOM 0 HG23 VAL A 58 6.240 4.012 7.268 1.00 21.12 H new ATOM 982 N ARG A 59 4.928 5.738 5.972 1.00 0.30 N ATOM 983 CA ARG A 59 5.749 6.734 5.232 1.00 63.24 C ATOM 984 C ARG A 59 5.337 6.779 3.751 1.00 11.10 C ATOM 985 O ARG A 59 4.462 6.033 3.308 1.00 61.44 O ATOM 986 CB ARG A 59 7.301 6.460 5.352 1.00 20.32 C ATOM 987 CG ARG A 59 8.013 7.216 6.505 1.00 41.14 C ATOM 988 CD ARG A 59 7.777 6.598 7.901 1.00 61.14 C ATOM 989 NE ARG A 59 8.314 7.444 8.987 1.00 23.51 N ATOM 990 CZ ARG A 59 7.598 8.300 9.737 1.00 72.43 C ATOM 991 NH1 ARG A 59 6.288 8.464 9.543 1.00 75.41 N ATOM 992 NH2 ARG A 59 8.201 8.994 10.696 1.00 63.44 N ATOM 0 H ARG A 59 4.807 4.859 5.468 1.00 0.30 H new ATOM 0 HA ARG A 59 5.556 7.702 5.695 1.00 63.24 H new ATOM 0 HB2 ARG A 59 7.456 5.390 5.489 1.00 20.32 H new ATOM 0 HB3 ARG A 59 7.777 6.733 4.410 1.00 20.32 H new ATOM 0 HG2 ARG A 59 9.084 7.237 6.305 1.00 41.14 H new ATOM 0 HG3 ARG A 59 7.670 8.250 6.514 1.00 41.14 H new ATOM 0 HD2 ARG A 59 6.708 6.449 8.054 1.00 61.14 H new ATOM 0 HD3 ARG A 59 8.245 5.615 7.944 1.00 61.14 H new ATOM 0 HE ARG A 59 9.312 7.373 9.184 1.00 23.51 H new ATOM 0 HH11 ARG A 59 5.810 7.934 8.814 1.00 75.41 H new ATOM 0 HH12 ARG A 59 5.764 9.119 10.124 1.00 75.41 H new ATOM 0 HH21 ARG A 59 9.201 8.876 10.859 1.00 63.44 H new ATOM 0 HH22 ARG A 59 7.664 9.645 11.269 1.00 63.44 H new ATOM 1006 N VAL A 60 5.982 7.701 3.013 1.00 43.15 N ATOM 1007 CA VAL A 60 5.855 7.839 1.551 1.00 1.23 C ATOM 1008 C VAL A 60 7.248 7.733 0.897 1.00 74.45 C ATOM 1009 O VAL A 60 8.282 7.723 1.589 1.00 51.00 O ATOM 1010 CB VAL A 60 5.164 9.204 1.154 1.00 63.15 C ATOM 1011 CG1 VAL A 60 3.756 9.312 1.773 1.00 72.34 C ATOM 1012 CG2 VAL A 60 6.030 10.431 1.542 1.00 11.24 C ATOM 0 H VAL A 60 6.618 8.384 3.424 1.00 43.15 H new ATOM 0 HA VAL A 60 5.220 7.032 1.186 1.00 1.23 H new ATOM 0 HB VAL A 60 5.065 9.207 0.069 1.00 63.15 H new ATOM 0 HG11 VAL A 60 3.303 10.260 1.484 1.00 72.34 H new ATOM 0 HG12 VAL A 60 3.137 8.490 1.414 1.00 72.34 H new ATOM 0 HG13 VAL A 60 3.831 9.262 2.859 1.00 72.34 H new ATOM 0 HG21 VAL A 60 5.515 11.346 1.250 1.00 11.24 H new ATOM 0 HG22 VAL A 60 6.194 10.435 2.620 1.00 11.24 H new ATOM 0 HG23 VAL A 60 6.990 10.375 1.029 1.00 11.24 H new ATOM 1022 N HIS A 61 7.251 7.633 -0.437 1.00 14.51 N ATOM 1023 CA HIS A 61 8.468 7.581 -1.258 1.00 4.24 C ATOM 1024 C HIS A 61 8.194 8.331 -2.579 1.00 2.01 C ATOM 1025 O HIS A 61 7.478 7.827 -3.448 1.00 44.43 O ATOM 1026 CB HIS A 61 8.908 6.104 -1.524 1.00 2.21 C ATOM 1027 CG HIS A 61 10.227 5.987 -2.265 1.00 53.11 C ATOM 1028 ND1 HIS A 61 11.403 5.589 -1.658 1.00 52.30 N ATOM 1029 CD2 HIS A 61 10.560 6.241 -3.563 1.00 22.43 C ATOM 1030 CE1 HIS A 61 12.383 5.614 -2.538 1.00 41.33 C ATOM 1031 NE2 HIS A 61 11.900 6.001 -3.694 1.00 72.15 N ATOM 0 H HIS A 61 6.393 7.585 -0.987 1.00 14.51 H new ATOM 0 HA HIS A 61 9.290 8.061 -0.728 1.00 4.24 H new ATOM 0 HB2 HIS A 61 8.988 5.581 -0.571 1.00 2.21 H new ATOM 0 HB3 HIS A 61 8.131 5.600 -2.100 1.00 2.21 H new ATOM 0 HD2 HIS A 61 9.890 6.571 -4.343 1.00 22.43 H new ATOM 0 HE1 HIS A 61 13.413 5.358 -2.340 1.00 41.33 H new ATOM 0 HE2 HIS A 61 12.438 6.106 -4.554 1.00 72.15 H new ATOM 1040 N GLY A 62 8.754 9.544 -2.698 1.00 71.41 N ATOM 1041 CA GLY A 62 8.666 10.343 -3.922 1.00 61.55 C ATOM 1042 C GLY A 62 7.358 11.124 -4.050 1.00 30.43 C ATOM 1043 O GLY A 62 6.397 10.898 -3.300 1.00 34.33 O ATOM 0 H GLY A 62 9.279 9.995 -1.948 1.00 71.41 H new ATOM 0 HA2 GLY A 62 9.501 11.043 -3.950 1.00 61.55 H new ATOM 0 HA3 GLY A 62 8.772 9.685 -4.784 1.00 61.55 H new ATOM 1047 N THR A 63 7.330 12.044 -5.026 1.00 63.13 N ATOM 1048 CA THR A 63 6.159 12.880 -5.337 1.00 51.24 C ATOM 1049 C THR A 63 5.299 12.237 -6.454 1.00 53.13 C ATOM 1050 O THR A 63 4.289 12.809 -6.873 1.00 13.34 O ATOM 1051 CB THR A 63 6.620 14.322 -5.763 1.00 60.45 C ATOM 1052 OG1 THR A 63 7.413 14.256 -6.960 1.00 10.04 O ATOM 1053 CG2 THR A 63 7.445 15.010 -4.657 1.00 2.23 C ATOM 0 H THR A 63 8.130 12.231 -5.630 1.00 63.13 H new ATOM 0 HA THR A 63 5.545 12.956 -4.439 1.00 51.24 H new ATOM 0 HB THR A 63 5.719 14.909 -5.940 1.00 60.45 H new ATOM 0 HG1 THR A 63 7.693 15.159 -7.217 1.00 10.04 H new ATOM 0 HG21 THR A 63 7.744 16.004 -4.991 1.00 2.23 H new ATOM 0 HG22 THR A 63 6.841 15.097 -3.754 1.00 2.23 H new ATOM 0 HG23 THR A 63 8.334 14.416 -4.443 1.00 2.23 H new ATOM 1061 N LYS A 64 5.712 11.032 -6.918 1.00 32.42 N ATOM 1062 CA LYS A 64 5.017 10.268 -7.987 1.00 11.04 C ATOM 1063 C LYS A 64 3.851 9.411 -7.439 1.00 72.05 C ATOM 1064 O LYS A 64 3.271 8.617 -8.190 1.00 70.42 O ATOM 1065 CB LYS A 64 6.040 9.369 -8.738 1.00 51.03 C ATOM 1066 CG LYS A 64 7.114 10.151 -9.533 1.00 12.11 C ATOM 1067 CD LYS A 64 8.148 9.227 -10.222 1.00 43.30 C ATOM 1068 CE LYS A 64 8.889 8.313 -9.226 1.00 43.02 C ATOM 1069 NZ LYS A 64 9.878 7.429 -9.902 1.00 11.15 N ATOM 0 H LYS A 64 6.542 10.559 -6.560 1.00 32.42 H new ATOM 0 HA LYS A 64 4.582 10.991 -8.678 1.00 11.04 H new ATOM 0 HB2 LYS A 64 6.539 8.724 -8.014 1.00 51.03 H new ATOM 0 HB3 LYS A 64 5.498 8.719 -9.425 1.00 51.03 H new ATOM 0 HG2 LYS A 64 6.624 10.765 -10.288 1.00 12.11 H new ATOM 0 HG3 LYS A 64 7.635 10.830 -8.858 1.00 12.11 H new ATOM 0 HD2 LYS A 64 7.640 8.611 -10.965 1.00 43.30 H new ATOM 0 HD3 LYS A 64 8.875 9.838 -10.757 1.00 43.30 H new ATOM 0 HE2 LYS A 64 9.400 8.926 -8.484 1.00 43.02 H new ATOM 0 HE3 LYS A 64 8.164 7.701 -8.689 1.00 43.02 H new ATOM 0 HZ1 LYS A 64 10.352 6.833 -9.194 1.00 11.15 H new ATOM 0 HZ2 LYS A 64 9.388 6.824 -10.592 1.00 11.15 H new ATOM 0 HZ3 LYS A 64 10.586 8.012 -10.393 1.00 11.15 H new ATOM 1083 N GLY A 65 3.511 9.584 -6.141 1.00 21.52 N ATOM 1084 CA GLY A 65 2.435 8.826 -5.503 1.00 22.15 C ATOM 1085 C GLY A 65 2.794 7.357 -5.336 1.00 52.33 C ATOM 1086 O GLY A 65 2.205 6.484 -5.981 1.00 61.41 O ATOM 0 H GLY A 65 3.975 10.248 -5.521 1.00 21.52 H new ATOM 0 HA2 GLY A 65 2.216 9.259 -4.527 1.00 22.15 H new ATOM 0 HA3 GLY A 65 1.527 8.912 -6.101 1.00 22.15 H new ATOM 1090 N ALA A 66 3.830 7.111 -4.523 1.00 31.42 N ATOM 1091 CA ALA A 66 4.221 5.773 -4.076 1.00 4.01 C ATOM 1092 C ALA A 66 4.343 5.822 -2.552 1.00 1.41 C ATOM 1093 O ALA A 66 5.200 6.523 -2.019 1.00 74.01 O ATOM 1094 CB ALA A 66 5.543 5.322 -4.734 1.00 63.13 C ATOM 0 H ALA A 66 4.428 7.850 -4.153 1.00 31.42 H new ATOM 0 HA ALA A 66 3.471 5.040 -4.373 1.00 4.01 H new ATOM 0 HB1 ALA A 66 5.804 4.325 -4.380 1.00 63.13 H new ATOM 0 HB2 ALA A 66 5.422 5.303 -5.817 1.00 63.13 H new ATOM 0 HB3 ALA A 66 6.337 6.020 -4.470 1.00 63.13 H new ATOM 1100 N VAL A 67 3.454 5.103 -1.863 1.00 74.01 N ATOM 1101 CA VAL A 67 3.382 5.069 -0.395 1.00 62.02 C ATOM 1102 C VAL A 67 4.055 3.796 0.146 1.00 45.00 C ATOM 1103 O VAL A 67 4.359 2.863 -0.611 1.00 65.24 O ATOM 1104 CB VAL A 67 1.884 5.133 0.094 1.00 71.40 C ATOM 1105 CG1 VAL A 67 1.226 6.475 -0.302 1.00 5.31 C ATOM 1106 CG2 VAL A 67 1.055 3.924 -0.429 1.00 1.44 C ATOM 0 H VAL A 67 2.751 4.517 -2.314 1.00 74.01 H new ATOM 0 HA VAL A 67 3.911 5.941 -0.011 1.00 62.02 H new ATOM 0 HB VAL A 67 1.894 5.072 1.182 1.00 71.40 H new ATOM 0 HG11 VAL A 67 0.194 6.491 0.048 1.00 5.31 H new ATOM 0 HG12 VAL A 67 1.776 7.298 0.153 1.00 5.31 H new ATOM 0 HG13 VAL A 67 1.243 6.583 -1.387 1.00 5.31 H new ATOM 0 HG21 VAL A 67 0.029 4.004 -0.071 1.00 1.44 H new ATOM 0 HG22 VAL A 67 1.060 3.924 -1.519 1.00 1.44 H new ATOM 0 HG23 VAL A 67 1.495 2.996 -0.064 1.00 1.44 H new ATOM 1116 N ARG A 68 4.289 3.779 1.460 1.00 1.24 N ATOM 1117 CA ARG A 68 4.976 2.693 2.158 1.00 20.44 C ATOM 1118 C ARG A 68 4.057 2.157 3.264 1.00 75.10 C ATOM 1119 O ARG A 68 3.915 2.785 4.322 1.00 41.22 O ATOM 1120 CB ARG A 68 6.315 3.223 2.749 1.00 73.10 C ATOM 1121 CG ARG A 68 7.347 3.705 1.698 1.00 45.12 C ATOM 1122 CD ARG A 68 8.675 4.151 2.338 1.00 4.12 C ATOM 1123 NE ARG A 68 9.203 3.127 3.261 1.00 33.52 N ATOM 1124 CZ ARG A 68 10.469 2.674 3.313 1.00 4.34 C ATOM 1125 NH1 ARG A 68 11.407 3.134 2.489 1.00 75.05 N ATOM 1126 NH2 ARG A 68 10.781 1.755 4.212 1.00 2.02 N ATOM 0 H ARG A 68 4.000 4.536 2.080 1.00 1.24 H new ATOM 0 HA ARG A 68 5.207 1.881 1.468 1.00 20.44 H new ATOM 0 HB2 ARG A 68 6.095 4.049 3.426 1.00 73.10 H new ATOM 0 HB3 ARG A 68 6.769 2.433 3.347 1.00 73.10 H new ATOM 0 HG2 ARG A 68 7.541 2.901 0.989 1.00 45.12 H new ATOM 0 HG3 ARG A 68 6.924 4.534 1.131 1.00 45.12 H new ATOM 0 HD2 ARG A 68 9.408 4.350 1.556 1.00 4.12 H new ATOM 0 HD3 ARG A 68 8.524 5.086 2.878 1.00 4.12 H new ATOM 0 HE ARG A 68 8.543 2.723 3.925 1.00 33.52 H new ATOM 0 HH11 ARG A 68 11.174 3.847 1.798 1.00 75.05 H new ATOM 0 HH12 ARG A 68 12.360 2.774 2.549 1.00 75.05 H new ATOM 0 HH21 ARG A 68 10.067 1.403 4.850 1.00 2.02 H new ATOM 0 HH22 ARG A 68 11.735 1.399 4.267 1.00 2.02 H new ATOM 1140 N ALA A 69 3.427 0.999 3.003 1.00 21.41 N ATOM 1141 CA ALA A 69 2.449 0.378 3.909 1.00 53.42 C ATOM 1142 C ALA A 69 3.053 -0.857 4.580 1.00 15.13 C ATOM 1143 O ALA A 69 3.411 -1.819 3.895 1.00 12.41 O ATOM 1144 CB ALA A 69 1.180 0.008 3.128 1.00 5.22 C ATOM 0 H ALA A 69 3.585 0.464 2.149 1.00 21.41 H new ATOM 0 HA ALA A 69 2.183 1.091 4.690 1.00 53.42 H new ATOM 0 HB1 ALA A 69 0.458 -0.452 3.803 1.00 5.22 H new ATOM 0 HB2 ALA A 69 0.746 0.908 2.691 1.00 5.22 H new ATOM 0 HB3 ALA A 69 1.433 -0.695 2.334 1.00 5.22 H new ATOM 1150 N ARG A 70 3.185 -0.820 5.920 1.00 61.01 N ATOM 1151 CA ARG A 70 3.773 -1.930 6.683 1.00 31.03 C ATOM 1152 C ARG A 70 2.695 -2.921 7.144 1.00 72.22 C ATOM 1153 O ARG A 70 1.780 -2.554 7.895 1.00 73.20 O ATOM 1154 CB ARG A 70 4.596 -1.421 7.895 1.00 33.11 C ATOM 1155 CG ARG A 70 5.708 -0.417 7.529 1.00 42.51 C ATOM 1156 CD ARG A 70 6.821 -0.338 8.588 1.00 12.53 C ATOM 1157 NE ARG A 70 6.301 -0.202 9.963 1.00 24.42 N ATOM 1158 CZ ARG A 70 6.830 -0.794 11.050 1.00 52.43 C ATOM 1159 NH1 ARG A 70 7.900 -1.579 10.947 1.00 53.44 N ATOM 1160 NH2 ARG A 70 6.261 -0.620 12.234 1.00 2.00 N ATOM 0 H ARG A 70 2.891 -0.030 6.494 1.00 61.01 H new ATOM 0 HA ARG A 70 4.455 -2.452 6.012 1.00 31.03 H new ATOM 0 HB2 ARG A 70 3.919 -0.951 8.608 1.00 33.11 H new ATOM 0 HB3 ARG A 70 5.046 -2.276 8.399 1.00 33.11 H new ATOM 0 HG2 ARG A 70 6.145 -0.701 6.572 1.00 42.51 H new ATOM 0 HG3 ARG A 70 5.268 0.572 7.398 1.00 42.51 H new ATOM 0 HD2 ARG A 70 7.438 -1.234 8.526 1.00 12.53 H new ATOM 0 HD3 ARG A 70 7.468 0.510 8.365 1.00 12.53 H new ATOM 0 HE ARG A 70 5.478 0.385 10.100 1.00 24.42 H new ATOM 0 HH11 ARG A 70 8.330 -1.738 10.036 1.00 53.44 H new ATOM 0 HH12 ARG A 70 8.290 -2.021 11.779 1.00 53.44 H new ATOM 0 HH21 ARG A 70 5.426 -0.040 12.318 1.00 2.00 H new ATOM 0 HH22 ARG A 70 6.658 -1.066 13.061 1.00 2.00 H new ATOM 1174 N PHE A 71 2.833 -4.183 6.691 1.00 1.21 N ATOM 1175 CA PHE A 71 1.893 -5.274 6.979 1.00 34.21 C ATOM 1176 C PHE A 71 2.344 -6.070 8.216 1.00 71.51 C ATOM 1177 O PHE A 71 3.496 -6.505 8.313 1.00 31.23 O ATOM 1178 CB PHE A 71 1.738 -6.185 5.724 1.00 71.13 C ATOM 1179 CG PHE A 71 0.926 -5.501 4.620 1.00 12.01 C ATOM 1180 CD1 PHE A 71 1.498 -4.529 3.792 1.00 33.32 C ATOM 1181 CD2 PHE A 71 -0.432 -5.785 4.458 1.00 43.52 C ATOM 1182 CE1 PHE A 71 0.738 -3.872 2.847 1.00 22.42 C ATOM 1183 CE2 PHE A 71 -1.185 -5.132 3.504 1.00 4.22 C ATOM 1184 CZ PHE A 71 -0.603 -4.174 2.704 1.00 70.21 C ATOM 0 H PHE A 71 3.616 -4.473 6.105 1.00 1.21 H new ATOM 0 HA PHE A 71 0.915 -4.853 7.211 1.00 34.21 H new ATOM 0 HB2 PHE A 71 2.724 -6.446 5.341 1.00 71.13 H new ATOM 0 HB3 PHE A 71 1.250 -7.117 6.010 1.00 71.13 H new ATOM 0 HD1 PHE A 71 2.546 -4.290 3.894 1.00 33.32 H new ATOM 0 HD2 PHE A 71 -0.899 -6.527 5.089 1.00 43.52 H new ATOM 0 HE1 PHE A 71 1.192 -3.120 2.218 1.00 22.42 H new ATOM 0 HE2 PHE A 71 -2.231 -5.372 3.385 1.00 4.22 H new ATOM 0 HZ PHE A 71 -1.196 -3.658 1.963 1.00 70.21 H new ATOM 1194 N GLU A 72 1.394 -6.248 9.153 1.00 22.31 N ATOM 1195 CA GLU A 72 1.636 -6.861 10.476 1.00 72.25 C ATOM 1196 C GLU A 72 1.823 -8.388 10.397 1.00 22.45 C ATOM 1197 O GLU A 72 2.544 -8.970 11.212 1.00 13.02 O ATOM 1198 CB GLU A 72 0.459 -6.520 11.436 1.00 30.21 C ATOM 1199 CG GLU A 72 -0.924 -6.998 10.941 1.00 34.54 C ATOM 1200 CD GLU A 72 -2.050 -6.774 11.959 1.00 50.13 C ATOM 1201 OE1 GLU A 72 -2.640 -5.675 11.967 1.00 75.42 O ATOM 1202 OE2 GLU A 72 -2.347 -7.700 12.752 1.00 22.10 O ATOM 0 H GLU A 72 0.424 -5.967 9.012 1.00 22.31 H new ATOM 0 HA GLU A 72 2.567 -6.444 10.860 1.00 72.25 H new ATOM 0 HB2 GLU A 72 0.658 -6.968 12.410 1.00 30.21 H new ATOM 0 HB3 GLU A 72 0.426 -5.440 11.583 1.00 30.21 H new ATOM 0 HG2 GLU A 72 -1.171 -6.475 10.017 1.00 34.54 H new ATOM 0 HG3 GLU A 72 -0.868 -8.060 10.701 1.00 34.54 H new ATOM 1209 N LYS A 73 1.156 -9.028 9.421 1.00 5.13 N ATOM 1210 CA LYS A 73 1.159 -10.501 9.289 1.00 61.44 C ATOM 1211 C LYS A 73 2.395 -10.979 8.508 1.00 3.02 C ATOM 1212 O LYS A 73 2.902 -12.081 8.748 1.00 50.42 O ATOM 1213 CB LYS A 73 -0.158 -10.994 8.630 1.00 50.54 C ATOM 1214 CG LYS A 73 -1.455 -10.547 9.360 1.00 3.41 C ATOM 1215 CD LYS A 73 -1.442 -10.785 10.902 1.00 0.55 C ATOM 1216 CE LYS A 73 -1.336 -12.267 11.320 1.00 64.52 C ATOM 1217 NZ LYS A 73 -2.558 -13.046 10.983 1.00 10.13 N ATOM 0 H LYS A 73 0.605 -8.549 8.708 1.00 5.13 H new ATOM 0 HA LYS A 73 1.214 -10.936 10.287 1.00 61.44 H new ATOM 0 HB2 LYS A 73 -0.192 -10.632 7.603 1.00 50.54 H new ATOM 0 HB3 LYS A 73 -0.140 -12.083 8.584 1.00 50.54 H new ATOM 0 HG2 LYS A 73 -1.617 -9.486 9.170 1.00 3.41 H new ATOM 0 HG3 LYS A 73 -2.302 -11.081 8.929 1.00 3.41 H new ATOM 0 HD2 LYS A 73 -0.604 -10.238 11.334 1.00 0.55 H new ATOM 0 HD3 LYS A 73 -2.352 -10.364 11.330 1.00 0.55 H new ATOM 0 HE2 LYS A 73 -0.475 -12.719 10.828 1.00 64.52 H new ATOM 0 HE3 LYS A 73 -1.157 -12.326 12.394 1.00 64.52 H new ATOM 0 HZ1 LYS A 73 -2.434 -14.034 11.285 1.00 10.13 H new ATOM 0 HZ2 LYS A 73 -3.378 -12.635 11.473 1.00 10.13 H new ATOM 0 HZ3 LYS A 73 -2.717 -13.015 9.956 1.00 10.13 H new ATOM 1231 N GLY A 74 2.850 -10.134 7.566 1.00 73.23 N ATOM 1232 CA GLY A 74 4.121 -10.324 6.871 1.00 34.55 C ATOM 1233 C GLY A 74 4.235 -11.598 6.045 1.00 11.44 C ATOM 1234 O GLY A 74 5.311 -12.205 5.989 1.00 43.14 O ATOM 0 H GLY A 74 2.341 -9.301 7.270 1.00 73.23 H new ATOM 0 HA2 GLY A 74 4.286 -9.470 6.214 1.00 34.55 H new ATOM 0 HA3 GLY A 74 4.923 -10.318 7.609 1.00 34.55 H new ATOM 1238 N LEU A 75 3.128 -12.000 5.396 1.00 23.44 N ATOM 1239 CA LEU A 75 3.110 -13.183 4.513 1.00 54.25 C ATOM 1240 C LEU A 75 3.582 -12.802 3.087 1.00 11.03 C ATOM 1241 O LEU A 75 3.382 -11.656 2.658 1.00 63.42 O ATOM 1242 CB LEU A 75 1.686 -13.817 4.470 1.00 5.21 C ATOM 1243 CG LEU A 75 1.164 -14.421 5.811 1.00 33.01 C ATOM 1244 CD1 LEU A 75 -0.235 -15.038 5.635 1.00 61.23 C ATOM 1245 CD2 LEU A 75 2.153 -15.459 6.387 1.00 73.22 C ATOM 0 H LEU A 75 2.230 -11.522 5.466 1.00 23.44 H new ATOM 0 HA LEU A 75 3.800 -13.924 4.917 1.00 54.25 H new ATOM 0 HB2 LEU A 75 0.981 -13.055 4.139 1.00 5.21 H new ATOM 0 HB3 LEU A 75 1.683 -14.603 3.715 1.00 5.21 H new ATOM 0 HG LEU A 75 1.086 -13.603 6.528 1.00 33.01 H new ATOM 0 HD11 LEU A 75 -0.573 -15.451 6.586 1.00 61.23 H new ATOM 0 HD12 LEU A 75 -0.933 -14.269 5.305 1.00 61.23 H new ATOM 0 HD13 LEU A 75 -0.191 -15.832 4.890 1.00 61.23 H new ATOM 0 HD21 LEU A 75 1.758 -15.859 7.321 1.00 73.22 H new ATOM 0 HD22 LEU A 75 2.286 -16.271 5.672 1.00 73.22 H new ATOM 0 HD23 LEU A 75 3.114 -14.980 6.575 1.00 73.22 H new ATOM 1257 N PRO A 76 4.218 -13.763 2.338 1.00 34.34 N ATOM 1258 CA PRO A 76 4.606 -13.560 0.916 1.00 55.31 C ATOM 1259 C PRO A 76 3.382 -13.484 -0.027 1.00 14.24 C ATOM 1260 O PRO A 76 2.217 -13.529 0.415 1.00 43.12 O ATOM 1261 CB PRO A 76 5.475 -14.815 0.610 1.00 45.13 C ATOM 1262 CG PRO A 76 4.952 -15.858 1.546 1.00 32.30 C ATOM 1263 CD PRO A 76 4.641 -15.109 2.823 1.00 14.44 C ATOM 0 HA PRO A 76 5.128 -12.616 0.758 1.00 55.31 H new ATOM 0 HB2 PRO A 76 5.374 -15.126 -0.430 1.00 45.13 H new ATOM 0 HB3 PRO A 76 6.533 -14.619 0.783 1.00 45.13 H new ATOM 0 HG2 PRO A 76 4.061 -16.340 1.143 1.00 32.30 H new ATOM 0 HG3 PRO A 76 5.690 -16.642 1.717 1.00 32.30 H new ATOM 0 HD2 PRO A 76 3.851 -15.597 3.393 1.00 14.44 H new ATOM 0 HD3 PRO A 76 5.512 -15.046 3.475 1.00 14.44 H new ATOM 1271 N GLY A 77 3.663 -13.385 -1.329 1.00 52.35 N ATOM 1272 CA GLY A 77 2.626 -13.363 -2.348 1.00 63.24 C ATOM 1273 C GLY A 77 3.178 -13.615 -3.742 1.00 53.33 C ATOM 1274 O GLY A 77 2.542 -14.317 -4.539 1.00 50.24 O ATOM 0 H GLY A 77 4.611 -13.319 -1.698 1.00 52.35 H new ATOM 0 HA2 GLY A 77 1.876 -14.119 -2.115 1.00 63.24 H new ATOM 0 HA3 GLY A 77 2.122 -12.397 -2.329 1.00 63.24 H new ATOM 1278 N GLN A 78 4.370 -13.028 -4.030 1.00 34.04 N ATOM 1279 CA GLN A 78 4.981 -13.009 -5.391 1.00 31.12 C ATOM 1280 C GLN A 78 3.983 -12.364 -6.397 1.00 14.30 C ATOM 1281 O GLN A 78 3.985 -12.619 -7.602 1.00 21.53 O ATOM 1282 CB GLN A 78 5.445 -14.448 -5.801 1.00 35.43 C ATOM 1283 CG GLN A 78 6.301 -14.536 -7.093 1.00 62.21 C ATOM 1284 CD GLN A 78 6.781 -15.956 -7.427 1.00 2.44 C ATOM 1285 OE1 GLN A 78 7.021 -16.779 -6.538 1.00 55.33 O ATOM 1286 NE2 GLN A 78 6.919 -16.259 -8.711 1.00 32.11 N ATOM 0 H GLN A 78 4.936 -12.554 -3.326 1.00 34.04 H new ATOM 0 HA GLN A 78 5.880 -12.393 -5.396 1.00 31.12 H new ATOM 0 HB2 GLN A 78 6.018 -14.873 -4.977 1.00 35.43 H new ATOM 0 HB3 GLN A 78 4.561 -15.072 -5.930 1.00 35.43 H new ATOM 0 HG2 GLN A 78 5.717 -14.154 -7.930 1.00 62.21 H new ATOM 0 HG3 GLN A 78 7.169 -13.885 -6.987 1.00 62.21 H new ATOM 0 HE21 GLN A 78 6.714 -15.560 -9.425 1.00 32.11 H new ATOM 0 HE22 GLN A 78 7.230 -17.191 -8.984 1.00 32.11 H new ATOM 1295 N ALA A 79 3.183 -11.444 -5.852 1.00 21.22 N ATOM 1296 CA ALA A 79 2.021 -10.836 -6.507 1.00 11.23 C ATOM 1297 C ALA A 79 2.301 -9.360 -6.844 1.00 53.41 C ATOM 1298 O ALA A 79 1.406 -8.525 -6.767 1.00 32.32 O ATOM 1299 CB ALA A 79 0.790 -11.009 -5.603 1.00 54.25 C ATOM 0 H ALA A 79 3.332 -11.089 -4.908 1.00 21.22 H new ATOM 0 HA ALA A 79 1.819 -11.337 -7.454 1.00 11.23 H new ATOM 0 HB1 ALA A 79 -0.080 -10.559 -6.082 1.00 54.25 H new ATOM 0 HB2 ALA A 79 0.605 -12.071 -5.439 1.00 54.25 H new ATOM 0 HB3 ALA A 79 0.970 -10.520 -4.646 1.00 54.25 H new ATOM 1305 N LEU A 80 3.577 -9.034 -7.132 1.00 2.23 N ATOM 1306 CA LEU A 80 3.962 -7.694 -7.636 1.00 60.52 C ATOM 1307 C LEU A 80 3.155 -7.368 -8.925 1.00 51.45 C ATOM 1308 O LEU A 80 3.322 -8.033 -9.956 1.00 43.35 O ATOM 1309 CB LEU A 80 5.498 -7.644 -7.895 1.00 44.33 C ATOM 1310 CG LEU A 80 6.402 -8.013 -6.671 1.00 22.02 C ATOM 1311 CD1 LEU A 80 7.901 -8.014 -7.042 1.00 10.41 C ATOM 1312 CD2 LEU A 80 6.116 -7.091 -5.470 1.00 32.15 C ATOM 0 H LEU A 80 4.361 -9.678 -7.025 1.00 2.23 H new ATOM 0 HA LEU A 80 3.726 -6.938 -6.888 1.00 60.52 H new ATOM 0 HB2 LEU A 80 5.733 -8.323 -8.715 1.00 44.33 H new ATOM 0 HB3 LEU A 80 5.760 -6.640 -8.228 1.00 44.33 H new ATOM 0 HG LEU A 80 6.148 -9.031 -6.375 1.00 22.02 H new ATOM 0 HD11 LEU A 80 8.493 -8.275 -6.165 1.00 10.41 H new ATOM 0 HD12 LEU A 80 8.080 -8.745 -7.831 1.00 10.41 H new ATOM 0 HD13 LEU A 80 8.190 -7.023 -7.393 1.00 10.41 H new ATOM 0 HD21 LEU A 80 6.758 -7.371 -4.635 1.00 32.15 H new ATOM 0 HD22 LEU A 80 6.315 -6.057 -5.750 1.00 32.15 H new ATOM 0 HD23 LEU A 80 5.072 -7.192 -5.174 1.00 32.15 H new ATOM 1324 N GLY A 81 2.243 -6.379 -8.828 1.00 25.53 N ATOM 1325 CA GLY A 81 1.299 -6.040 -9.911 1.00 61.31 C ATOM 1326 C GLY A 81 -0.159 -6.266 -9.507 1.00 51.51 C ATOM 1327 O GLY A 81 -1.079 -5.915 -10.254 1.00 71.21 O ATOM 0 H GLY A 81 2.141 -5.794 -7.998 1.00 25.53 H new ATOM 0 HA2 GLY A 81 1.437 -4.997 -10.196 1.00 61.31 H new ATOM 0 HA3 GLY A 81 1.527 -6.643 -10.790 1.00 61.31 H new ATOM 1331 N ASP A 82 -0.362 -6.869 -8.318 1.00 23.50 N ATOM 1332 CA ASP A 82 -1.698 -7.089 -7.721 1.00 42.20 C ATOM 1333 C ASP A 82 -2.188 -5.761 -7.103 1.00 31.13 C ATOM 1334 O ASP A 82 -1.412 -4.804 -7.007 1.00 70.11 O ATOM 1335 CB ASP A 82 -1.616 -8.230 -6.663 1.00 53.31 C ATOM 1336 CG ASP A 82 -2.990 -8.756 -6.225 1.00 32.20 C ATOM 1337 OD1 ASP A 82 -3.560 -9.632 -6.924 1.00 3.32 O ATOM 1338 OD2 ASP A 82 -3.525 -8.303 -5.190 1.00 34.24 O ATOM 0 H ASP A 82 0.401 -7.220 -7.740 1.00 23.50 H new ATOM 0 HA ASP A 82 -2.415 -7.400 -8.481 1.00 42.20 H new ATOM 0 HB2 ASP A 82 -1.034 -9.055 -7.074 1.00 53.31 H new ATOM 0 HB3 ASP A 82 -1.079 -7.865 -5.787 1.00 53.31 H new ATOM 1343 N TYR A 83 -3.456 -5.688 -6.695 1.00 2.20 N ATOM 1344 CA TYR A 83 -4.080 -4.429 -6.266 1.00 20.50 C ATOM 1345 C TYR A 83 -4.463 -4.478 -4.779 1.00 2.05 C ATOM 1346 O TYR A 83 -5.006 -5.476 -4.302 1.00 61.32 O ATOM 1347 CB TYR A 83 -5.321 -4.153 -7.154 1.00 34.03 C ATOM 1348 CG TYR A 83 -4.977 -3.979 -8.647 1.00 55.12 C ATOM 1349 CD1 TYR A 83 -4.882 -5.077 -9.512 1.00 1.14 C ATOM 1350 CD2 TYR A 83 -4.724 -2.715 -9.184 1.00 64.23 C ATOM 1351 CE1 TYR A 83 -4.555 -4.916 -10.850 1.00 32.43 C ATOM 1352 CE2 TYR A 83 -4.410 -2.550 -10.519 1.00 3.03 C ATOM 1353 CZ TYR A 83 -4.321 -3.653 -11.349 1.00 15.43 C ATOM 1354 OH TYR A 83 -3.988 -3.490 -12.680 1.00 1.42 O ATOM 0 H TYR A 83 -4.079 -6.494 -6.652 1.00 2.20 H new ATOM 0 HA TYR A 83 -3.365 -3.615 -6.384 1.00 20.50 H new ATOM 0 HB2 TYR A 83 -6.027 -4.976 -7.045 1.00 34.03 H new ATOM 0 HB3 TYR A 83 -5.822 -3.253 -6.797 1.00 34.03 H new ATOM 0 HD1 TYR A 83 -5.067 -6.070 -9.129 1.00 1.14 H new ATOM 0 HD2 TYR A 83 -4.775 -1.848 -8.542 1.00 64.23 H new ATOM 0 HE1 TYR A 83 -4.484 -5.777 -11.498 1.00 32.43 H new ATOM 0 HE2 TYR A 83 -4.234 -1.561 -10.914 1.00 3.03 H new ATOM 0 HH TYR A 83 -3.857 -2.538 -12.870 1.00 1.42 H new ATOM 1364 N VAL A 84 -4.148 -3.384 -4.064 1.00 52.42 N ATOM 1365 CA VAL A 84 -4.526 -3.185 -2.649 1.00 22.51 C ATOM 1366 C VAL A 84 -5.744 -2.243 -2.576 1.00 31.41 C ATOM 1367 O VAL A 84 -6.105 -1.603 -3.580 1.00 51.01 O ATOM 1368 CB VAL A 84 -3.347 -2.564 -1.803 1.00 62.23 C ATOM 1369 CG1 VAL A 84 -2.052 -3.388 -1.945 1.00 52.32 C ATOM 1370 CG2 VAL A 84 -3.093 -1.083 -2.151 1.00 70.53 C ATOM 0 H VAL A 84 -3.619 -2.604 -4.454 1.00 52.42 H new ATOM 0 HA VAL A 84 -4.765 -4.162 -2.229 1.00 22.51 H new ATOM 0 HB VAL A 84 -3.662 -2.603 -0.760 1.00 62.23 H new ATOM 0 HG11 VAL A 84 -1.262 -2.930 -1.349 1.00 52.32 H new ATOM 0 HG12 VAL A 84 -2.228 -4.405 -1.595 1.00 52.32 H new ATOM 0 HG13 VAL A 84 -1.749 -3.412 -2.992 1.00 52.32 H new ATOM 0 HG21 VAL A 84 -2.273 -0.702 -1.543 1.00 70.53 H new ATOM 0 HG22 VAL A 84 -2.833 -0.997 -3.206 1.00 70.53 H new ATOM 0 HG23 VAL A 84 -3.994 -0.503 -1.951 1.00 70.53 H new ATOM 1380 N GLU A 85 -6.363 -2.150 -1.385 1.00 2.25 N ATOM 1381 CA GLU A 85 -7.459 -1.196 -1.124 1.00 71.12 C ATOM 1382 C GLU A 85 -7.182 -0.462 0.206 1.00 5.45 C ATOM 1383 O GLU A 85 -7.324 -1.033 1.288 1.00 2.14 O ATOM 1384 CB GLU A 85 -8.820 -1.956 -1.099 1.00 71.55 C ATOM 1385 CG GLU A 85 -9.164 -2.654 -2.439 1.00 12.20 C ATOM 1386 CD GLU A 85 -10.465 -3.466 -2.403 1.00 73.11 C ATOM 1387 OE1 GLU A 85 -10.469 -4.561 -1.798 1.00 24.43 O ATOM 1388 OE2 GLU A 85 -11.478 -3.028 -2.994 1.00 63.31 O ATOM 0 H GLU A 85 -6.121 -2.729 -0.581 1.00 2.25 H new ATOM 0 HA GLU A 85 -7.514 -0.451 -1.917 1.00 71.12 H new ATOM 0 HB2 GLU A 85 -8.795 -2.703 -0.306 1.00 71.55 H new ATOM 0 HB3 GLU A 85 -9.615 -1.253 -0.850 1.00 71.55 H new ATOM 0 HG2 GLU A 85 -9.241 -1.899 -3.221 1.00 12.20 H new ATOM 0 HG3 GLU A 85 -8.342 -3.315 -2.714 1.00 12.20 H new ATOM 1395 N ILE A 86 -6.803 0.817 0.084 1.00 35.01 N ATOM 1396 CA ILE A 86 -6.451 1.704 1.196 1.00 75.51 C ATOM 1397 C ILE A 86 -7.731 2.340 1.762 1.00 32.41 C ATOM 1398 O ILE A 86 -8.241 3.336 1.222 1.00 41.21 O ATOM 1399 CB ILE A 86 -5.454 2.830 0.705 1.00 75.40 C ATOM 1400 CG1 ILE A 86 -4.237 2.197 -0.057 1.00 2.12 C ATOM 1401 CG2 ILE A 86 -4.985 3.717 1.888 1.00 40.14 C ATOM 1402 CD1 ILE A 86 -3.314 3.193 -0.747 1.00 12.51 C ATOM 0 H ILE A 86 -6.731 1.277 -0.824 1.00 35.01 H new ATOM 0 HA ILE A 86 -5.958 1.125 1.977 1.00 75.51 H new ATOM 0 HB ILE A 86 -5.986 3.476 0.007 1.00 75.40 H new ATOM 0 HG12 ILE A 86 -3.650 1.612 0.651 1.00 2.12 H new ATOM 0 HG13 ILE A 86 -4.619 1.502 -0.805 1.00 2.12 H new ATOM 0 HG21 ILE A 86 -4.301 4.482 1.520 1.00 40.14 H new ATOM 0 HG22 ILE A 86 -5.849 4.195 2.350 1.00 40.14 H new ATOM 0 HG23 ILE A 86 -4.475 3.099 2.627 1.00 40.14 H new ATOM 0 HD11 ILE A 86 -2.506 2.656 -1.244 1.00 12.51 H new ATOM 0 HD12 ILE A 86 -3.879 3.762 -1.485 1.00 12.51 H new ATOM 0 HD13 ILE A 86 -2.895 3.874 -0.006 1.00 12.51 H new ATOM 1414 N VAL A 87 -8.278 1.714 2.802 1.00 22.13 N ATOM 1415 CA VAL A 87 -9.474 2.202 3.503 1.00 61.11 C ATOM 1416 C VAL A 87 -9.051 3.130 4.667 1.00 54.20 C ATOM 1417 O VAL A 87 -7.956 2.995 5.228 1.00 1.41 O ATOM 1418 CB VAL A 87 -10.345 1.002 4.053 1.00 72.53 C ATOM 1419 CG1 VAL A 87 -11.719 1.493 4.566 1.00 43.21 C ATOM 1420 CG2 VAL A 87 -10.524 -0.116 2.991 1.00 71.03 C ATOM 0 H VAL A 87 -7.904 0.847 3.188 1.00 22.13 H new ATOM 0 HA VAL A 87 -10.085 2.761 2.794 1.00 61.11 H new ATOM 0 HB VAL A 87 -9.801 0.574 4.895 1.00 72.53 H new ATOM 0 HG11 VAL A 87 -12.293 0.644 4.937 1.00 43.21 H new ATOM 0 HG12 VAL A 87 -11.571 2.211 5.372 1.00 43.21 H new ATOM 0 HG13 VAL A 87 -12.263 1.970 3.750 1.00 43.21 H new ATOM 0 HG21 VAL A 87 -11.128 -0.921 3.409 1.00 71.03 H new ATOM 0 HG22 VAL A 87 -11.023 0.293 2.112 1.00 71.03 H new ATOM 0 HG23 VAL A 87 -9.547 -0.506 2.705 1.00 71.03 H new ATOM 1430 N LEU A 88 -9.914 4.098 4.990 1.00 3.23 N ATOM 1431 CA LEU A 88 -9.790 4.923 6.199 1.00 74.32 C ATOM 1432 C LEU A 88 -10.102 4.004 7.412 1.00 52.31 C ATOM 1433 O LEU A 88 -11.190 3.437 7.475 1.00 22.45 O ATOM 1434 CB LEU A 88 -10.797 6.119 6.073 1.00 64.21 C ATOM 1435 CG LEU A 88 -10.501 7.425 6.885 1.00 74.44 C ATOM 1436 CD1 LEU A 88 -10.475 7.190 8.406 1.00 63.32 C ATOM 1437 CD2 LEU A 88 -9.201 8.104 6.391 1.00 42.15 C ATOM 0 H LEU A 88 -10.724 4.334 4.417 1.00 3.23 H new ATOM 0 HA LEU A 88 -8.793 5.343 6.331 1.00 74.32 H new ATOM 0 HB2 LEU A 88 -10.862 6.390 5.019 1.00 64.21 H new ATOM 0 HB3 LEU A 88 -11.781 5.758 6.371 1.00 64.21 H new ATOM 0 HG LEU A 88 -11.331 8.106 6.698 1.00 74.44 H new ATOM 0 HD11 LEU A 88 -10.265 8.130 8.916 1.00 63.32 H new ATOM 0 HD12 LEU A 88 -11.443 6.808 8.732 1.00 63.32 H new ATOM 0 HD13 LEU A 88 -9.698 6.465 8.649 1.00 63.32 H new ATOM 0 HD21 LEU A 88 -9.019 9.008 6.972 1.00 42.15 H new ATOM 0 HD22 LEU A 88 -8.363 7.419 6.515 1.00 42.15 H new ATOM 0 HD23 LEU A 88 -9.304 8.364 5.338 1.00 42.15 H new