USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc=-0.00595 X(o=-0.058,f=-0.15) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= -0.0524 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.045) USER MOD Single : A 13 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -104:sc= -0.0374 (180deg=-0.461) USER MOD Single : A 18 SER OG : rot 14:sc= 0.65! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -103:sc= 0.19 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= -0.0498 (180deg=-1.46!) USER MOD Single : A 43 SER OG : rot 43:sc= 0.934 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -140:sc= -0.654 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0801 USER MOD Single : A 67 SER OG : rot 48:sc= 1.01 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -45:sc= 1.03 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -3.47 K(o=-3.5,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.640 1.284 -7.919 1.00 4.52 N ATOM 53 CA GLU A 5 -8.091 1.284 -7.780 1.00 32.51 C ATOM 54 C GLU A 5 -8.767 1.477 -9.134 1.00 53.32 C ATOM 55 O GLU A 5 -8.871 2.597 -9.634 1.00 40.44 O ATOM 56 CB GLU A 5 -8.534 2.385 -6.814 1.00 71.33 C ATOM 57 CG GLU A 5 -7.896 2.281 -5.439 1.00 73.10 C ATOM 58 CD GLU A 5 -8.393 3.349 -4.484 1.00 21.44 C ATOM 59 OE1 GLU A 5 -9.509 3.190 -3.947 1.00 13.54 O ATOM 60 OE2 GLU A 5 -7.666 4.342 -4.273 1.00 61.21 O ATOM 0 HA GLU A 5 -8.392 0.316 -7.378 1.00 32.51 H new ATOM 0 HB2 GLU A 5 -8.290 3.356 -7.246 1.00 71.33 H new ATOM 0 HB3 GLU A 5 -9.618 2.348 -6.706 1.00 71.33 H new ATOM 0 HG2 GLU A 5 -8.105 1.297 -5.019 1.00 73.10 H new ATOM 0 HG3 GLU A 5 -6.813 2.362 -5.538 1.00 73.10 H new ATOM 67 N VAL A 6 -9.226 0.377 -9.723 1.00 3.20 N ATOM 68 CA VAL A 6 -9.892 0.425 -11.019 1.00 34.33 C ATOM 69 C VAL A 6 -11.346 -0.019 -10.905 1.00 74.43 C ATOM 70 O VAL A 6 -11.631 -1.199 -10.699 1.00 31.44 O ATOM 71 CB VAL A 6 -9.175 -0.464 -12.052 1.00 42.11 C ATOM 72 CG1 VAL A 6 -10.133 -0.875 -13.160 1.00 22.33 C ATOM 73 CG2 VAL A 6 -7.963 0.257 -12.624 1.00 74.30 C ATOM 0 H VAL A 6 -9.149 -0.558 -9.323 1.00 3.20 H new ATOM 0 HA VAL A 6 -9.856 1.461 -11.356 1.00 34.33 H new ATOM 0 HB VAL A 6 -8.829 -1.368 -11.550 1.00 42.11 H new ATOM 0 HG11 VAL A 6 -9.608 -1.503 -13.880 1.00 22.33 H new ATOM 0 HG12 VAL A 6 -10.966 -1.432 -12.732 1.00 22.33 H new ATOM 0 HG13 VAL A 6 -10.512 0.015 -13.662 1.00 22.33 H new ATOM 0 HG21 VAL A 6 -7.468 -0.385 -13.352 1.00 74.30 H new ATOM 0 HG22 VAL A 6 -8.284 1.178 -13.111 1.00 74.30 H new ATOM 0 HG23 VAL A 6 -7.268 0.496 -11.819 1.00 74.30 H new ATOM 83 N ILE A 7 -12.263 0.933 -11.042 1.00 45.22 N ATOM 84 CA ILE A 7 -13.688 0.640 -10.957 1.00 23.44 C ATOM 85 C ILE A 7 -14.383 0.899 -12.289 1.00 13.04 C ATOM 86 O ILE A 7 -14.398 2.026 -12.785 1.00 21.43 O ATOM 87 CB ILE A 7 -14.371 1.480 -9.861 1.00 62.24 C ATOM 88 CG1 ILE A 7 -15.881 1.231 -9.865 1.00 5.24 C ATOM 89 CG2 ILE A 7 -14.071 2.958 -10.064 1.00 34.35 C ATOM 90 CD1 ILE A 7 -16.254 -0.220 -9.662 1.00 33.42 C ATOM 0 H ILE A 7 -12.044 1.915 -11.212 1.00 45.22 H new ATOM 0 HA ILE A 7 -13.779 -0.416 -10.703 1.00 23.44 H new ATOM 0 HB ILE A 7 -13.975 1.179 -8.891 1.00 62.24 H new ATOM 0 HG12 ILE A 7 -16.342 1.830 -9.079 1.00 5.24 H new ATOM 0 HG13 ILE A 7 -16.295 1.575 -10.813 1.00 5.24 H new ATOM 0 HG21 ILE A 7 -14.560 3.539 -9.282 1.00 34.35 H new ATOM 0 HG22 ILE A 7 -12.994 3.120 -10.017 1.00 34.35 H new ATOM 0 HG23 ILE A 7 -14.444 3.274 -11.038 1.00 34.35 H new ATOM 0 HD11 ILE A 7 -17.339 -0.322 -9.676 1.00 33.42 H new ATOM 0 HD12 ILE A 7 -15.822 -0.822 -10.462 1.00 33.42 H new ATOM 0 HD13 ILE A 7 -15.870 -0.564 -8.702 1.00 33.42 H new ATOM 102 N VAL A 8 -14.961 -0.151 -12.863 1.00 31.53 N ATOM 103 CA VAL A 8 -15.662 -0.038 -14.136 1.00 41.52 C ATOM 104 C VAL A 8 -17.034 -0.699 -14.070 1.00 24.42 C ATOM 105 O VAL A 8 -17.291 -1.532 -13.200 1.00 72.45 O ATOM 106 CB VAL A 8 -14.852 -0.674 -15.281 1.00 41.24 C ATOM 107 CG1 VAL A 8 -13.569 0.106 -15.526 1.00 11.22 C ATOM 108 CG2 VAL A 8 -14.548 -2.132 -14.972 1.00 73.05 C ATOM 0 H VAL A 8 -14.958 -1.091 -12.466 1.00 31.53 H new ATOM 0 HA VAL A 8 -15.785 1.027 -14.335 1.00 41.52 H new ATOM 0 HB VAL A 8 -15.451 -0.636 -16.191 1.00 41.24 H new ATOM 0 HG11 VAL A 8 -13.010 -0.359 -16.338 1.00 11.22 H new ATOM 0 HG12 VAL A 8 -13.814 1.134 -15.795 1.00 11.22 H new ATOM 0 HG13 VAL A 8 -12.963 0.103 -14.620 1.00 11.22 H new ATOM 0 HG21 VAL A 8 -13.975 -2.566 -15.792 1.00 73.05 H new ATOM 0 HG22 VAL A 8 -13.969 -2.196 -14.051 1.00 73.05 H new ATOM 0 HG23 VAL A 8 -15.482 -2.681 -14.852 1.00 73.05 H new ATOM 118 N TYR A 9 -17.911 -0.324 -14.994 1.00 3.20 N ATOM 119 CA TYR A 9 -19.258 -0.880 -15.040 1.00 1.53 C ATOM 120 C TYR A 9 -19.609 -1.341 -16.451 1.00 31.32 C ATOM 121 O TYR A 9 -19.336 -0.646 -17.428 1.00 54.35 O ATOM 122 CB TYR A 9 -20.276 0.157 -14.562 1.00 53.01 C ATOM 123 CG TYR A 9 -20.285 0.351 -13.063 1.00 3.34 C ATOM 124 CD1 TYR A 9 -19.204 0.935 -12.412 1.00 73.50 C ATOM 125 CD2 TYR A 9 -21.372 -0.049 -12.296 1.00 73.13 C ATOM 126 CE1 TYR A 9 -19.207 1.113 -11.042 1.00 51.52 C ATOM 127 CE2 TYR A 9 -21.384 0.127 -10.926 1.00 54.23 C ATOM 128 CZ TYR A 9 -20.300 0.709 -10.304 1.00 25.32 C ATOM 129 OH TYR A 9 -20.307 0.885 -8.939 1.00 72.21 O ATOM 0 H TYR A 9 -17.713 0.363 -15.722 1.00 3.20 H new ATOM 0 HA TYR A 9 -19.290 -1.744 -14.377 1.00 1.53 H new ATOM 0 HB2 TYR A 9 -20.062 1.112 -15.042 1.00 53.01 H new ATOM 0 HB3 TYR A 9 -21.271 -0.147 -14.886 1.00 53.01 H new ATOM 0 HD1 TYR A 9 -18.348 1.255 -12.987 1.00 73.50 H new ATOM 0 HD2 TYR A 9 -22.223 -0.506 -12.780 1.00 73.13 H new ATOM 0 HE1 TYR A 9 -18.358 1.566 -10.552 1.00 51.52 H new ATOM 0 HE2 TYR A 9 -22.238 -0.190 -10.345 1.00 54.23 H new ATOM 0 HH TYR A 9 -21.150 0.548 -8.570 1.00 72.21 H new ATOM 139 N GLU A 10 -20.217 -2.520 -16.547 1.00 3.23 N ATOM 140 CA GLU A 10 -20.605 -3.075 -17.838 1.00 35.23 C ATOM 141 C GLU A 10 -22.057 -2.734 -18.162 1.00 41.41 C ATOM 142 O GLU A 10 -22.733 -3.468 -18.883 1.00 32.21 O ATOM 143 CB GLU A 10 -20.414 -4.593 -17.843 1.00 62.34 C ATOM 144 CG GLU A 10 -18.982 -5.025 -18.112 1.00 51.04 C ATOM 145 CD GLU A 10 -17.994 -4.406 -17.143 1.00 32.24 C ATOM 146 OE1 GLU A 10 -17.518 -3.285 -17.417 1.00 2.31 O ATOM 147 OE2 GLU A 10 -17.697 -5.043 -16.110 1.00 53.32 O ATOM 0 H GLU A 10 -20.451 -3.108 -15.747 1.00 3.23 H new ATOM 0 HA GLU A 10 -19.966 -2.632 -18.602 1.00 35.23 H new ATOM 0 HB2 GLU A 10 -20.731 -4.994 -16.880 1.00 62.34 H new ATOM 0 HB3 GLU A 10 -21.065 -5.030 -18.600 1.00 62.34 H new ATOM 0 HG2 GLU A 10 -18.916 -6.111 -18.048 1.00 51.04 H new ATOM 0 HG3 GLU A 10 -18.708 -4.749 -19.130 1.00 51.04 H new ATOM 154 N HIS A 11 -22.530 -1.614 -17.624 1.00 44.31 N ATOM 155 CA HIS A 11 -23.901 -1.174 -17.856 1.00 1.32 C ATOM 156 C HIS A 11 -24.159 0.174 -17.188 1.00 72.34 C ATOM 157 O HIS A 11 -23.250 0.784 -16.626 1.00 20.24 O ATOM 158 CB HIS A 11 -24.889 -2.215 -17.329 1.00 2.22 C ATOM 159 CG HIS A 11 -25.896 -2.653 -18.346 1.00 75.43 C ATOM 160 ND1 HIS A 11 -27.253 -2.455 -18.197 1.00 3.33 N ATOM 161 CD2 HIS A 11 -25.739 -3.282 -19.534 1.00 62.44 C ATOM 162 CE1 HIS A 11 -27.886 -2.944 -19.248 1.00 22.12 C ATOM 163 NE2 HIS A 11 -26.990 -3.452 -20.075 1.00 2.32 N ATOM 0 H HIS A 11 -21.984 -0.995 -17.025 1.00 44.31 H new ATOM 0 HA HIS A 11 -24.043 -1.060 -18.931 1.00 1.32 H new ATOM 0 HB2 HIS A 11 -24.335 -3.086 -16.980 1.00 2.22 H new ATOM 0 HB3 HIS A 11 -25.412 -1.803 -16.466 1.00 2.22 H new ATOM 0 HD2 HIS A 11 -24.803 -3.593 -19.975 1.00 62.44 H new ATOM 0 HE1 HIS A 11 -28.955 -2.931 -19.405 1.00 22.12 H new ATOM 0 HE2 HIS A 11 -27.194 -3.898 -20.969 1.00 2.32 H new ATOM 171 N VAL A 12 -25.405 0.633 -17.256 1.00 2.02 N ATOM 172 CA VAL A 12 -25.783 1.908 -16.658 1.00 21.01 C ATOM 173 C VAL A 12 -25.577 1.889 -15.147 1.00 51.25 C ATOM 174 O VAL A 12 -25.344 0.836 -14.556 1.00 5.22 O ATOM 175 CB VAL A 12 -27.253 2.256 -16.961 1.00 25.15 C ATOM 176 CG1 VAL A 12 -28.179 1.570 -15.968 1.00 71.55 C ATOM 177 CG2 VAL A 12 -27.458 3.763 -16.940 1.00 1.03 C ATOM 0 H VAL A 12 -26.169 0.141 -17.719 1.00 2.02 H new ATOM 0 HA VAL A 12 -25.139 2.668 -17.100 1.00 21.01 H new ATOM 0 HB VAL A 12 -27.497 1.893 -17.959 1.00 25.15 H new ATOM 0 HG11 VAL A 12 -29.213 1.827 -16.197 1.00 71.55 H new ATOM 0 HG12 VAL A 12 -28.050 0.490 -16.036 1.00 71.55 H new ATOM 0 HG13 VAL A 12 -27.938 1.901 -14.958 1.00 71.55 H new ATOM 0 HG21 VAL A 12 -28.502 3.991 -17.156 1.00 1.03 H new ATOM 0 HG22 VAL A 12 -27.198 4.152 -15.956 1.00 1.03 H new ATOM 0 HG23 VAL A 12 -26.822 4.227 -17.693 1.00 1.03 H new ATOM 187 N ASN A 13 -25.666 3.062 -14.529 1.00 52.20 N ATOM 188 CA ASN A 13 -25.490 3.181 -13.086 1.00 63.12 C ATOM 189 C ASN A 13 -26.795 2.888 -12.353 1.00 22.45 C ATOM 190 O ASN A 13 -27.123 3.541 -11.362 1.00 21.22 O ATOM 191 CB ASN A 13 -24.993 4.582 -12.726 1.00 2.42 C ATOM 192 CG ASN A 13 -24.301 4.621 -11.377 1.00 11.52 C ATOM 193 OD1 ASN A 13 -24.367 3.665 -10.605 1.00 32.31 O ATOM 194 ND2 ASN A 13 -23.633 5.732 -11.087 1.00 30.24 N ATOM 0 H ASN A 13 -25.859 3.944 -15.005 1.00 52.20 H new ATOM 0 HA ASN A 13 -24.746 2.448 -12.774 1.00 63.12 H new ATOM 0 HB2 ASN A 13 -24.303 4.929 -13.495 1.00 2.42 H new ATOM 0 HB3 ASN A 13 -25.836 5.273 -12.719 1.00 2.42 H new ATOM 0 HD21 ASN A 13 -23.148 5.817 -10.194 1.00 30.24 H new ATOM 0 HD22 ASN A 13 -23.605 6.500 -11.758 1.00 30.24 H new ATOM 201 N PHE A 14 -27.535 1.901 -12.846 1.00 34.54 N ATOM 202 CA PHE A 14 -28.805 1.520 -12.238 1.00 12.34 C ATOM 203 C PHE A 14 -29.103 0.043 -12.479 1.00 52.42 C ATOM 204 O PHE A 14 -30.257 -0.381 -12.449 1.00 34.41 O ATOM 205 CB PHE A 14 -29.941 2.380 -12.798 1.00 24.55 C ATOM 206 CG PHE A 14 -29.656 3.854 -12.751 1.00 64.54 C ATOM 207 CD1 PHE A 14 -29.774 4.559 -11.564 1.00 71.45 C ATOM 208 CD2 PHE A 14 -29.269 4.534 -13.895 1.00 22.13 C ATOM 209 CE1 PHE A 14 -29.513 5.915 -11.520 1.00 12.14 C ATOM 210 CE2 PHE A 14 -29.006 5.890 -13.856 1.00 12.42 C ATOM 211 CZ PHE A 14 -29.128 6.582 -12.666 1.00 64.44 C ATOM 0 H PHE A 14 -27.277 1.350 -13.665 1.00 34.54 H new ATOM 0 HA PHE A 14 -28.729 1.686 -11.163 1.00 12.34 H new ATOM 0 HB2 PHE A 14 -30.132 2.088 -13.831 1.00 24.55 H new ATOM 0 HB3 PHE A 14 -30.852 2.176 -12.235 1.00 24.55 H new ATOM 0 HD1 PHE A 14 -30.073 4.043 -10.664 1.00 71.45 H new ATOM 0 HD2 PHE A 14 -29.172 3.998 -14.828 1.00 22.13 H new ATOM 0 HE1 PHE A 14 -29.610 6.453 -10.589 1.00 12.14 H new ATOM 0 HE2 PHE A 14 -28.705 6.408 -14.754 1.00 12.42 H new ATOM 0 HZ PHE A 14 -28.923 7.642 -12.633 1.00 64.44 H new ATOM 221 N GLY A 15 -28.052 -0.735 -12.720 1.00 52.21 N ATOM 222 CA GLY A 15 -28.221 -2.155 -12.964 1.00 74.24 C ATOM 223 C GLY A 15 -27.054 -2.756 -13.721 1.00 61.45 C ATOM 224 O GLY A 15 -27.172 -3.082 -14.902 1.00 41.30 O ATOM 0 H GLY A 15 -27.087 -0.407 -12.751 1.00 52.21 H new ATOM 0 HA2 GLY A 15 -28.338 -2.673 -12.012 1.00 74.24 H new ATOM 0 HA3 GLY A 15 -29.139 -2.317 -13.529 1.00 74.24 H new ATOM 228 N GLY A 16 -25.921 -2.903 -13.041 1.00 32.14 N ATOM 229 CA GLY A 16 -24.743 -3.467 -13.673 1.00 72.12 C ATOM 230 C GLY A 16 -23.731 -3.976 -12.666 1.00 13.55 C ATOM 231 O GLY A 16 -23.829 -3.682 -11.474 1.00 30.43 O ATOM 0 H GLY A 16 -25.798 -2.641 -12.063 1.00 32.14 H new ATOM 0 HA2 GLY A 16 -25.043 -4.286 -14.328 1.00 72.12 H new ATOM 0 HA3 GLY A 16 -24.275 -2.710 -14.303 1.00 72.12 H new ATOM 235 N LYS A 17 -22.756 -4.742 -13.143 1.00 55.44 N ATOM 236 CA LYS A 17 -21.722 -5.293 -12.277 1.00 23.32 C ATOM 237 C LYS A 17 -20.543 -4.332 -12.157 1.00 33.33 C ATOM 238 O LYS A 17 -20.021 -3.847 -13.160 1.00 54.42 O ATOM 239 CB LYS A 17 -21.241 -6.642 -12.817 1.00 43.11 C ATOM 240 CG LYS A 17 -19.729 -6.752 -12.920 1.00 13.12 C ATOM 241 CD LYS A 17 -19.303 -8.118 -13.430 1.00 30.21 C ATOM 242 CE LYS A 17 -19.888 -8.408 -14.804 1.00 14.25 C ATOM 243 NZ LYS A 17 -21.122 -9.237 -14.717 1.00 71.31 N ATOM 0 H LYS A 17 -22.661 -4.995 -14.126 1.00 55.44 H new ATOM 0 HA LYS A 17 -22.152 -5.438 -11.286 1.00 23.32 H new ATOM 0 HB2 LYS A 17 -21.611 -7.436 -12.169 1.00 43.11 H new ATOM 0 HB3 LYS A 17 -21.677 -6.806 -13.803 1.00 43.11 H new ATOM 0 HG2 LYS A 17 -19.352 -5.979 -13.589 1.00 13.12 H new ATOM 0 HG3 LYS A 17 -19.283 -6.572 -11.942 1.00 13.12 H new ATOM 0 HD2 LYS A 17 -18.215 -8.166 -13.479 1.00 30.21 H new ATOM 0 HD3 LYS A 17 -19.625 -8.886 -12.727 1.00 30.21 H new ATOM 0 HE2 LYS A 17 -20.116 -7.468 -15.307 1.00 14.25 H new ATOM 0 HE3 LYS A 17 -19.146 -8.924 -15.413 1.00 14.25 H new ATOM 0 HZ1 LYS A 17 -20.902 -10.216 -14.990 1.00 71.31 H new ATOM 0 HZ2 LYS A 17 -21.482 -9.222 -13.741 1.00 71.31 H new ATOM 0 HZ3 LYS A 17 -21.845 -8.852 -15.358 1.00 71.31 H new ATOM 257 N SER A 18 -20.128 -4.063 -10.923 1.00 32.31 N ATOM 258 CA SER A 18 -19.013 -3.159 -10.672 1.00 45.50 C ATOM 259 C SER A 18 -17.736 -3.939 -10.376 1.00 22.41 C ATOM 260 O SER A 18 -17.688 -4.745 -9.446 1.00 15.11 O ATOM 261 CB SER A 18 -19.337 -2.227 -9.503 1.00 1.04 C ATOM 262 OG SER A 18 -19.228 -2.907 -8.264 1.00 10.41 O ATOM 0 H SER A 18 -20.548 -4.459 -10.082 1.00 32.31 H new ATOM 0 HA SER A 18 -18.853 -2.562 -11.570 1.00 45.50 H new ATOM 0 HB2 SER A 18 -18.658 -1.374 -9.515 1.00 1.04 H new ATOM 0 HB3 SER A 18 -20.347 -1.832 -9.617 1.00 1.04 H new ATOM 0 HG SER A 18 -18.753 -3.754 -8.396 1.00 10.41 H new ATOM 268 N PHE A 19 -16.702 -3.695 -11.174 1.00 63.01 N ATOM 269 CA PHE A 19 -15.424 -4.375 -11.000 1.00 23.35 C ATOM 270 C PHE A 19 -14.398 -3.449 -10.352 1.00 55.12 C ATOM 271 O PHE A 19 -13.770 -2.633 -11.027 1.00 24.32 O ATOM 272 CB PHE A 19 -14.898 -4.873 -12.348 1.00 35.03 C ATOM 273 CG PHE A 19 -14.594 -6.344 -12.366 1.00 51.24 C ATOM 274 CD1 PHE A 19 -15.532 -7.264 -11.926 1.00 65.20 C ATOM 275 CD2 PHE A 19 -13.371 -6.806 -12.825 1.00 11.20 C ATOM 276 CE1 PHE A 19 -15.254 -8.618 -11.942 1.00 4.05 C ATOM 277 CE2 PHE A 19 -13.088 -8.159 -12.843 1.00 44.42 C ATOM 278 CZ PHE A 19 -14.031 -9.066 -12.402 1.00 3.22 C ATOM 0 H PHE A 19 -16.724 -3.031 -11.948 1.00 63.01 H new ATOM 0 HA PHE A 19 -15.583 -5.229 -10.342 1.00 23.35 H new ATOM 0 HB2 PHE A 19 -15.635 -4.653 -13.120 1.00 35.03 H new ATOM 0 HB3 PHE A 19 -13.994 -4.320 -12.603 1.00 35.03 H new ATOM 0 HD1 PHE A 19 -16.490 -6.920 -11.567 1.00 65.20 H new ATOM 0 HD2 PHE A 19 -12.630 -6.101 -13.173 1.00 11.20 H new ATOM 0 HE1 PHE A 19 -15.993 -9.325 -11.595 1.00 4.05 H new ATOM 0 HE2 PHE A 19 -12.130 -8.506 -13.202 1.00 44.42 H new ATOM 0 HZ PHE A 19 -13.813 -10.124 -12.417 1.00 3.22 H new ATOM 461 N ASP A 34 -24.782 -3.645 -26.230 1.00 52.23 N ATOM 462 CA ASP A 34 -23.863 -2.585 -25.830 1.00 74.24 C ATOM 463 C ASP A 34 -24.628 -1.353 -25.357 1.00 31.12 C ATOM 464 O ASP A 34 -24.660 -0.328 -26.039 1.00 22.43 O ATOM 465 CB ASP A 34 -22.943 -2.213 -26.994 1.00 24.43 C ATOM 466 CG ASP A 34 -21.663 -3.027 -27.002 1.00 53.02 C ATOM 467 OD1 ASP A 34 -21.138 -3.316 -25.907 1.00 65.44 O ATOM 468 OD2 ASP A 34 -21.187 -3.373 -28.104 1.00 35.41 O ATOM 0 HA ASP A 34 -23.258 -2.955 -25.002 1.00 74.24 H new ATOM 0 HB2 ASP A 34 -23.472 -2.364 -27.935 1.00 24.43 H new ATOM 0 HB3 ASP A 34 -22.696 -1.153 -26.934 1.00 24.43 H new ATOM 473 N LYS A 35 -25.245 -1.460 -24.185 1.00 24.03 N ATOM 474 CA LYS A 35 -26.010 -0.355 -23.618 1.00 64.54 C ATOM 475 C LYS A 35 -25.099 0.604 -22.859 1.00 0.10 C ATOM 476 O LYS A 35 -23.902 0.354 -22.714 1.00 41.50 O ATOM 477 CB LYS A 35 -27.099 -0.888 -22.685 1.00 22.22 C ATOM 478 CG LYS A 35 -28.494 -0.833 -23.284 1.00 24.14 C ATOM 479 CD LYS A 35 -28.559 -1.565 -24.614 1.00 3.23 C ATOM 480 CE LYS A 35 -28.577 -0.593 -25.784 1.00 22.41 C ATOM 481 NZ LYS A 35 -29.953 -0.391 -26.316 1.00 21.13 N ATOM 0 H LYS A 35 -25.230 -2.301 -23.609 1.00 24.03 H new ATOM 0 HA LYS A 35 -26.478 0.189 -24.438 1.00 64.54 H new ATOM 0 HB2 LYS A 35 -26.867 -1.920 -22.421 1.00 22.22 H new ATOM 0 HB3 LYS A 35 -27.087 -0.312 -21.760 1.00 22.22 H new ATOM 0 HG2 LYS A 35 -29.207 -1.276 -22.589 1.00 24.14 H new ATOM 0 HG3 LYS A 35 -28.790 0.207 -23.425 1.00 24.14 H new ATOM 0 HD2 LYS A 35 -27.701 -2.231 -24.706 1.00 3.23 H new ATOM 0 HD3 LYS A 35 -29.452 -2.189 -24.644 1.00 3.23 H new ATOM 0 HE2 LYS A 35 -28.166 0.365 -25.466 1.00 22.41 H new ATOM 0 HE3 LYS A 35 -27.932 -0.969 -26.578 1.00 22.41 H new ATOM 0 HZ1 LYS A 35 -29.923 0.278 -27.112 1.00 21.13 H new ATOM 0 HZ2 LYS A 35 -30.336 -1.301 -26.643 1.00 21.13 H new ATOM 0 HZ3 LYS A 35 -30.563 -0.008 -25.565 1.00 21.13 H new ATOM 495 N ILE A 36 -25.674 1.700 -22.376 1.00 2.25 N ATOM 496 CA ILE A 36 -24.914 2.695 -21.629 1.00 23.22 C ATOM 497 C ILE A 36 -24.080 2.040 -20.533 1.00 4.32 C ATOM 498 O ILE A 36 -24.553 1.151 -19.825 1.00 53.34 O ATOM 499 CB ILE A 36 -25.839 3.750 -20.994 1.00 24.34 C ATOM 500 CG1 ILE A 36 -25.039 4.671 -20.069 1.00 71.45 C ATOM 501 CG2 ILE A 36 -26.967 3.073 -20.229 1.00 50.54 C ATOM 502 CD1 ILE A 36 -25.627 6.059 -19.944 1.00 20.45 C ATOM 0 H ILE A 36 -26.663 1.922 -22.488 1.00 2.25 H new ATOM 0 HA ILE A 36 -24.252 3.187 -22.342 1.00 23.22 H new ATOM 0 HB ILE A 36 -26.276 4.355 -21.789 1.00 24.34 H new ATOM 0 HG12 ILE A 36 -24.982 4.218 -19.079 1.00 71.45 H new ATOM 0 HG13 ILE A 36 -24.018 4.750 -20.442 1.00 71.45 H new ATOM 0 HG21 ILE A 36 -27.612 3.831 -19.786 1.00 50.54 H new ATOM 0 HG22 ILE A 36 -27.550 2.455 -20.912 1.00 50.54 H new ATOM 0 HG23 ILE A 36 -26.548 2.448 -19.441 1.00 50.54 H new ATOM 0 HD11 ILE A 36 -25.009 6.657 -19.274 1.00 20.45 H new ATOM 0 HD12 ILE A 36 -25.658 6.531 -20.926 1.00 20.45 H new ATOM 0 HD13 ILE A 36 -26.638 5.991 -19.542 1.00 20.45 H new ATOM 514 N SER A 37 -22.835 2.488 -20.397 1.00 33.41 N ATOM 515 CA SER A 37 -21.934 1.944 -19.388 1.00 3.11 C ATOM 516 C SER A 37 -21.281 3.064 -18.583 1.00 32.12 C ATOM 517 O SER A 37 -21.235 4.213 -19.021 1.00 54.22 O ATOM 518 CB SER A 37 -20.857 1.081 -20.048 1.00 22.33 C ATOM 519 OG SER A 37 -21.266 -0.274 -20.125 1.00 43.10 O ATOM 0 H SER A 37 -22.428 3.225 -20.973 1.00 33.41 H new ATOM 0 HA SER A 37 -22.520 1.325 -18.709 1.00 3.11 H new ATOM 0 HB2 SER A 37 -20.647 1.458 -21.049 1.00 22.33 H new ATOM 0 HB3 SER A 37 -19.930 1.153 -19.479 1.00 22.33 H new ATOM 0 HG SER A 37 -20.561 -0.805 -20.552 1.00 43.10 H new ATOM 525 N SER A 38 -20.777 2.719 -17.402 1.00 54.11 N ATOM 526 CA SER A 38 -20.130 3.695 -16.533 1.00 35.23 C ATOM 527 C SER A 38 -18.648 3.376 -16.367 1.00 22.22 C ATOM 528 O SER A 38 -18.283 2.343 -15.804 1.00 72.12 O ATOM 529 CB SER A 38 -20.814 3.722 -15.164 1.00 50.32 C ATOM 530 OG SER A 38 -19.869 3.915 -14.126 1.00 11.50 O ATOM 0 H SER A 38 -20.804 1.771 -17.025 1.00 54.11 H new ATOM 0 HA SER A 38 -20.223 4.677 -16.998 1.00 35.23 H new ATOM 0 HB2 SER A 38 -21.554 4.522 -15.139 1.00 50.32 H new ATOM 0 HB3 SER A 38 -21.350 2.787 -15.003 1.00 50.32 H new ATOM 0 HG SER A 38 -19.696 3.061 -13.678 1.00 11.50 H new ATOM 536 N ILE A 39 -17.798 4.270 -16.861 1.00 20.04 N ATOM 537 CA ILE A 39 -16.355 4.085 -16.767 1.00 12.14 C ATOM 538 C ILE A 39 -15.703 5.229 -15.997 1.00 53.14 C ATOM 539 O ILE A 39 -15.659 6.365 -16.471 1.00 23.31 O ATOM 540 CB ILE A 39 -15.708 3.985 -18.161 1.00 35.42 C ATOM 541 CG1 ILE A 39 -15.779 2.546 -18.677 1.00 43.01 C ATOM 542 CG2 ILE A 39 -14.266 4.466 -18.111 1.00 60.44 C ATOM 543 CD1 ILE A 39 -17.183 1.984 -18.712 1.00 2.41 C ATOM 0 H ILE A 39 -18.084 5.129 -17.330 1.00 20.04 H new ATOM 0 HA ILE A 39 -16.191 3.150 -16.232 1.00 12.14 H new ATOM 0 HB ILE A 39 -16.260 4.625 -18.849 1.00 35.42 H new ATOM 0 HG12 ILE A 39 -15.356 2.508 -19.681 1.00 43.01 H new ATOM 0 HG13 ILE A 39 -15.158 1.911 -18.045 1.00 43.01 H new ATOM 0 HG21 ILE A 39 -13.822 4.389 -19.104 1.00 60.44 H new ATOM 0 HG22 ILE A 39 -14.240 5.505 -17.781 1.00 60.44 H new ATOM 0 HG23 ILE A 39 -13.701 3.849 -17.412 1.00 60.44 H new ATOM 0 HD11 ILE A 39 -17.156 0.961 -19.088 1.00 2.41 H new ATOM 0 HD12 ILE A 39 -17.602 1.990 -17.706 1.00 2.41 H new ATOM 0 HD13 ILE A 39 -17.803 2.595 -19.367 1.00 2.41 H new ATOM 555 N LYS A 40 -15.197 4.922 -14.808 1.00 64.12 N ATOM 556 CA LYS A 40 -14.543 5.923 -13.973 1.00 33.42 C ATOM 557 C LYS A 40 -13.279 5.357 -13.334 1.00 61.31 C ATOM 558 O LYS A 40 -13.342 4.651 -12.327 1.00 53.13 O ATOM 559 CB LYS A 40 -15.501 6.413 -12.885 1.00 34.11 C ATOM 560 CG LYS A 40 -14.890 7.448 -11.957 1.00 42.42 C ATOM 561 CD LYS A 40 -14.926 6.990 -10.509 1.00 0.31 C ATOM 562 CE LYS A 40 -15.186 8.153 -9.563 1.00 71.30 C ATOM 563 NZ LYS A 40 -14.539 7.945 -8.238 1.00 32.11 N ATOM 0 H LYS A 40 -15.227 3.988 -14.400 1.00 64.12 H new ATOM 0 HA LYS A 40 -14.263 6.763 -14.608 1.00 33.42 H new ATOM 0 HB2 LYS A 40 -16.386 6.839 -13.357 1.00 34.11 H new ATOM 0 HB3 LYS A 40 -15.834 5.559 -12.294 1.00 34.11 H new ATOM 0 HG2 LYS A 40 -13.859 7.640 -12.253 1.00 42.42 H new ATOM 0 HG3 LYS A 40 -15.430 8.390 -12.055 1.00 42.42 H new ATOM 0 HD2 LYS A 40 -15.704 6.237 -10.384 1.00 0.31 H new ATOM 0 HD3 LYS A 40 -13.979 6.516 -10.253 1.00 0.31 H new ATOM 0 HE2 LYS A 40 -14.812 9.075 -10.009 1.00 71.30 H new ATOM 0 HE3 LYS A 40 -16.260 8.278 -9.427 1.00 71.30 H new ATOM 0 HZ1 LYS A 40 -14.739 8.759 -7.622 1.00 32.11 H new ATOM 0 HZ2 LYS A 40 -14.914 7.079 -7.801 1.00 32.11 H new ATOM 0 HZ3 LYS A 40 -13.511 7.852 -8.365 1.00 32.11 H new ATOM 577 N VAL A 41 -12.131 5.672 -13.925 1.00 63.11 N ATOM 578 CA VAL A 41 -10.851 5.197 -13.412 1.00 72.02 C ATOM 579 C VAL A 41 -9.739 6.200 -13.697 1.00 23.33 C ATOM 580 O VAL A 41 -9.791 6.941 -14.679 1.00 33.53 O ATOM 581 CB VAL A 41 -10.471 3.837 -14.026 1.00 25.40 C ATOM 582 CG1 VAL A 41 -9.177 3.318 -13.416 1.00 12.43 C ATOM 583 CG2 VAL A 41 -11.598 2.833 -13.837 1.00 53.24 C ATOM 0 H VAL A 41 -12.061 6.254 -14.760 1.00 63.11 H new ATOM 0 HA VAL A 41 -10.964 5.082 -12.334 1.00 72.02 H new ATOM 0 HB VAL A 41 -10.312 3.973 -15.096 1.00 25.40 H new ATOM 0 HG11 VAL A 41 -8.925 2.356 -13.862 1.00 12.43 H new ATOM 0 HG12 VAL A 41 -8.373 4.029 -13.608 1.00 12.43 H new ATOM 0 HG13 VAL A 41 -9.305 3.197 -12.340 1.00 12.43 H new ATOM 0 HG21 VAL A 41 -11.312 1.878 -14.277 1.00 53.24 H new ATOM 0 HG22 VAL A 41 -11.791 2.699 -12.773 1.00 53.24 H new ATOM 0 HG23 VAL A 41 -12.500 3.202 -14.326 1.00 53.24 H new ATOM 593 N LYS A 42 -8.731 6.218 -12.831 1.00 42.11 N ATOM 594 CA LYS A 42 -7.603 7.128 -12.989 1.00 2.52 C ATOM 595 C LYS A 42 -6.281 6.402 -12.758 1.00 13.51 C ATOM 596 O LYS A 42 -5.770 6.365 -11.639 1.00 34.53 O ATOM 597 CB LYS A 42 -7.729 8.303 -12.015 1.00 64.34 C ATOM 598 CG LYS A 42 -8.299 9.560 -12.649 1.00 61.32 C ATOM 599 CD LYS A 42 -9.562 10.018 -11.940 1.00 74.32 C ATOM 600 CE LYS A 42 -10.782 9.246 -12.420 1.00 41.04 C ATOM 601 NZ LYS A 42 -11.445 8.509 -11.309 1.00 51.31 N ATOM 0 H LYS A 42 -8.673 5.612 -12.012 1.00 42.11 H new ATOM 0 HA LYS A 42 -7.615 7.508 -14.011 1.00 2.52 H new ATOM 0 HB2 LYS A 42 -8.365 8.006 -11.181 1.00 64.34 H new ATOM 0 HB3 LYS A 42 -6.746 8.528 -11.602 1.00 64.34 H new ATOM 0 HG2 LYS A 42 -7.554 10.355 -12.617 1.00 61.32 H new ATOM 0 HG3 LYS A 42 -8.519 9.371 -13.700 1.00 61.32 H new ATOM 0 HD2 LYS A 42 -9.446 9.884 -10.865 1.00 74.32 H new ATOM 0 HD3 LYS A 42 -9.712 11.083 -12.114 1.00 74.32 H new ATOM 0 HE2 LYS A 42 -11.493 9.936 -12.873 1.00 41.04 H new ATOM 0 HE3 LYS A 42 -10.483 8.541 -13.196 1.00 41.04 H new ATOM 0 HZ1 LYS A 42 -11.781 7.588 -11.655 1.00 51.31 H new ATOM 0 HZ2 LYS A 42 -10.765 8.361 -10.536 1.00 51.31 H new ATOM 0 HZ3 LYS A 42 -12.253 9.063 -10.958 1.00 51.31 H new ATOM 615 N SER A 43 -5.732 5.829 -13.824 1.00 34.31 N ATOM 616 CA SER A 43 -4.471 5.102 -13.736 1.00 72.04 C ATOM 617 C SER A 43 -3.901 4.834 -15.126 1.00 72.10 C ATOM 618 O SER A 43 -4.313 3.897 -15.808 1.00 71.41 O ATOM 619 CB SER A 43 -4.670 3.781 -12.991 1.00 31.11 C ATOM 620 OG SER A 43 -5.591 2.945 -13.671 1.00 1.34 O ATOM 0 H SER A 43 -6.140 5.854 -14.758 1.00 34.31 H new ATOM 0 HA SER A 43 -3.762 5.719 -13.184 1.00 72.04 H new ATOM 0 HB2 SER A 43 -3.713 3.268 -12.892 1.00 31.11 H new ATOM 0 HB3 SER A 43 -5.031 3.980 -11.982 1.00 31.11 H new ATOM 0 HG SER A 43 -5.410 2.974 -14.634 1.00 1.34 H new ATOM 626 N GLY A 44 -2.950 5.666 -15.539 1.00 65.41 N ATOM 627 CA GLY A 44 -2.338 5.503 -16.845 1.00 23.10 C ATOM 628 C GLY A 44 -3.359 5.478 -17.965 1.00 30.03 C ATOM 629 O GLY A 44 -4.430 6.075 -17.852 1.00 73.14 O ATOM 0 H GLY A 44 -2.592 6.450 -14.993 1.00 65.41 H new ATOM 0 HA2 GLY A 44 -1.634 6.317 -17.017 1.00 23.10 H new ATOM 0 HA3 GLY A 44 -1.764 4.577 -16.861 1.00 23.10 H new ATOM 633 N THR A 45 -3.028 4.786 -19.051 1.00 3.42 N ATOM 634 CA THR A 45 -3.922 4.688 -20.197 1.00 14.40 C ATOM 635 C THR A 45 -4.459 3.271 -20.356 1.00 32.51 C ATOM 636 O THR A 45 -3.788 2.300 -20.006 1.00 23.01 O ATOM 637 CB THR A 45 -3.214 5.106 -21.500 1.00 14.13 C ATOM 638 OG1 THR A 45 -2.223 4.134 -21.852 1.00 13.51 O ATOM 639 CG2 THR A 45 -2.561 6.472 -21.347 1.00 35.42 C ATOM 0 H THR A 45 -2.146 4.285 -19.160 1.00 3.42 H new ATOM 0 HA THR A 45 -4.752 5.369 -20.009 1.00 14.40 H new ATOM 0 HB THR A 45 -3.961 5.165 -22.291 1.00 14.13 H new ATOM 0 HG1 THR A 45 -1.779 4.406 -22.682 1.00 13.51 H new ATOM 0 HG21 THR A 45 -2.067 6.746 -22.279 1.00 35.42 H new ATOM 0 HG22 THR A 45 -3.322 7.214 -21.108 1.00 35.42 H new ATOM 0 HG23 THR A 45 -1.825 6.435 -20.544 1.00 35.42 H new ATOM 647 N TRP A 46 -5.672 3.158 -20.886 1.00 3.22 N ATOM 648 CA TRP A 46 -6.298 1.857 -21.092 1.00 11.14 C ATOM 649 C TRP A 46 -6.785 1.709 -22.529 1.00 21.42 C ATOM 650 O TRP A 46 -6.975 2.699 -23.235 1.00 0.02 O ATOM 651 CB TRP A 46 -7.467 1.672 -20.122 1.00 62.14 C ATOM 652 CG TRP A 46 -7.408 2.589 -18.939 1.00 2.05 C ATOM 653 CD1 TRP A 46 -6.377 2.717 -18.052 1.00 12.33 C ATOM 654 CD2 TRP A 46 -8.423 3.504 -18.512 1.00 31.12 C ATOM 655 NE1 TRP A 46 -6.691 3.657 -17.099 1.00 63.13 N ATOM 656 CE2 TRP A 46 -7.940 4.155 -17.360 1.00 21.22 C ATOM 657 CE3 TRP A 46 -9.692 3.838 -18.992 1.00 13.13 C ATOM 658 CZ2 TRP A 46 -8.683 5.118 -16.682 1.00 60.15 C ATOM 659 CZ3 TRP A 46 -10.429 4.794 -18.318 1.00 64.02 C ATOM 660 CH2 TRP A 46 -9.922 5.425 -17.174 1.00 53.53 C ATOM 0 H TRP A 46 -6.241 3.951 -21.181 1.00 3.22 H new ATOM 0 HA TRP A 46 -5.551 1.087 -20.901 1.00 11.14 H new ATOM 0 HB2 TRP A 46 -8.403 1.839 -20.656 1.00 62.14 H new ATOM 0 HB3 TRP A 46 -7.480 0.640 -19.772 1.00 62.14 H new ATOM 0 HD1 TRP A 46 -5.452 2.162 -18.093 1.00 12.33 H new ATOM 0 HE1 TRP A 46 -6.091 3.938 -16.323 1.00 63.13 H new ATOM 0 HE3 TRP A 46 -10.090 3.358 -19.874 1.00 13.13 H new ATOM 0 HZ2 TRP A 46 -8.295 5.605 -15.800 1.00 60.15 H new ATOM 0 HZ3 TRP A 46 -11.412 5.059 -18.679 1.00 64.02 H new ATOM 0 HH2 TRP A 46 -10.522 6.169 -16.671 1.00 53.53 H new ATOM 671 N ARG A 47 -6.985 0.466 -22.956 1.00 0.11 N ATOM 672 CA ARG A 47 -7.449 0.189 -24.310 1.00 1.01 C ATOM 673 C ARG A 47 -8.809 -0.503 -24.288 1.00 23.02 C ATOM 674 O ARG A 47 -8.908 -1.691 -23.979 1.00 4.32 O ATOM 675 CB ARG A 47 -6.433 -0.682 -25.052 1.00 34.14 C ATOM 676 CG ARG A 47 -5.117 0.023 -25.334 1.00 1.22 C ATOM 677 CD ARG A 47 -4.003 -0.497 -24.438 1.00 52.24 C ATOM 678 NE ARG A 47 -2.757 0.241 -24.630 1.00 34.10 N ATOM 679 CZ ARG A 47 -1.956 0.071 -25.676 1.00 12.22 C ATOM 680 NH1 ARG A 47 -2.269 -0.806 -26.619 1.00 52.15 N ATOM 681 NH2 ARG A 47 -0.839 0.780 -25.779 1.00 54.24 N ATOM 0 H ARG A 47 -6.833 -0.365 -22.384 1.00 0.11 H new ATOM 0 HA ARG A 47 -7.553 1.140 -24.833 1.00 1.01 H new ATOM 0 HB2 ARG A 47 -6.236 -1.578 -24.463 1.00 34.14 H new ATOM 0 HB3 ARG A 47 -6.869 -1.010 -25.996 1.00 34.14 H new ATOM 0 HG2 ARG A 47 -4.842 -0.121 -26.379 1.00 1.22 H new ATOM 0 HG3 ARG A 47 -5.238 1.096 -25.181 1.00 1.22 H new ATOM 0 HD2 ARG A 47 -4.312 -0.422 -23.395 1.00 52.24 H new ATOM 0 HD3 ARG A 47 -3.834 -1.554 -24.646 1.00 52.24 H new ATOM 0 HE ARG A 47 -2.487 0.924 -23.922 1.00 34.10 H new ATOM 0 HH11 ARG A 47 -3.127 -1.353 -26.543 1.00 52.15 H new ATOM 0 HH12 ARG A 47 -1.652 -0.934 -27.421 1.00 52.15 H new ATOM 0 HH21 ARG A 47 -0.595 1.456 -25.055 1.00 54.24 H new ATOM 0 HH22 ARG A 47 -0.224 0.649 -26.582 1.00 54.24 H new ATOM 695 N PHE A 48 -9.854 0.248 -24.617 1.00 14.01 N ATOM 696 CA PHE A 48 -11.209 -0.292 -24.633 1.00 62.34 C ATOM 697 C PHE A 48 -11.581 -0.784 -26.029 1.00 53.31 C ATOM 698 O PHE A 48 -11.309 -0.116 -27.027 1.00 73.24 O ATOM 699 CB PHE A 48 -12.209 0.768 -24.170 1.00 15.31 C ATOM 700 CG PHE A 48 -12.526 0.694 -22.704 1.00 20.45 C ATOM 701 CD1 PHE A 48 -13.495 -0.178 -22.234 1.00 71.41 C ATOM 702 CD2 PHE A 48 -11.854 1.495 -21.795 1.00 31.14 C ATOM 703 CE1 PHE A 48 -13.789 -0.248 -20.885 1.00 63.34 C ATOM 704 CE2 PHE A 48 -12.143 1.429 -20.444 1.00 72.15 C ATOM 705 CZ PHE A 48 -13.111 0.555 -19.989 1.00 51.33 C ATOM 0 H PHE A 48 -9.789 1.232 -24.876 1.00 14.01 H new ATOM 0 HA PHE A 48 -11.245 -1.138 -23.947 1.00 62.34 H new ATOM 0 HB2 PHE A 48 -11.810 1.756 -24.398 1.00 15.31 H new ATOM 0 HB3 PHE A 48 -13.132 0.658 -24.739 1.00 15.31 H new ATOM 0 HD1 PHE A 48 -14.027 -0.810 -22.930 1.00 71.41 H new ATOM 0 HD2 PHE A 48 -11.095 2.179 -22.146 1.00 31.14 H new ATOM 0 HE1 PHE A 48 -14.548 -0.930 -20.532 1.00 63.34 H new ATOM 0 HE2 PHE A 48 -11.613 2.060 -19.746 1.00 72.15 H new ATOM 0 HZ PHE A 48 -13.337 0.500 -18.934 1.00 51.33 H new ATOM 715 N TYR A 49 -12.205 -1.955 -26.090 1.00 64.14 N ATOM 716 CA TYR A 49 -12.612 -2.538 -27.363 1.00 32.50 C ATOM 717 C TYR A 49 -13.705 -3.583 -27.158 1.00 62.43 C ATOM 718 O TYR A 49 -13.532 -4.537 -26.400 1.00 41.11 O ATOM 719 CB TYR A 49 -11.410 -3.172 -28.066 1.00 33.03 C ATOM 720 CG TYR A 49 -10.446 -3.852 -27.121 1.00 23.32 C ATOM 721 CD1 TYR A 49 -10.698 -5.132 -26.641 1.00 54.24 C ATOM 722 CD2 TYR A 49 -9.283 -3.215 -26.706 1.00 65.55 C ATOM 723 CE1 TYR A 49 -9.820 -5.757 -25.777 1.00 74.13 C ATOM 724 CE2 TYR A 49 -8.398 -3.834 -25.844 1.00 12.41 C ATOM 725 CZ TYR A 49 -8.672 -5.104 -25.382 1.00 25.21 C ATOM 726 OH TYR A 49 -7.794 -5.723 -24.521 1.00 42.24 O ATOM 0 H TYR A 49 -12.440 -2.519 -25.273 1.00 64.14 H new ATOM 0 HA TYR A 49 -13.010 -1.739 -27.989 1.00 32.50 H new ATOM 0 HB2 TYR A 49 -11.768 -3.901 -28.793 1.00 33.03 H new ATOM 0 HB3 TYR A 49 -10.877 -2.401 -28.623 1.00 33.03 H new ATOM 0 HD1 TYR A 49 -11.596 -5.647 -26.949 1.00 54.24 H new ATOM 0 HD2 TYR A 49 -9.067 -2.219 -27.063 1.00 65.55 H new ATOM 0 HE1 TYR A 49 -10.032 -6.752 -25.413 1.00 74.13 H new ATOM 0 HE2 TYR A 49 -7.497 -3.326 -25.534 1.00 12.41 H new ATOM 0 HH TYR A 49 -7.036 -5.128 -24.343 1.00 42.24 H new ATOM 736 N GLU A 50 -14.830 -3.395 -27.841 1.00 63.43 N ATOM 737 CA GLU A 50 -15.951 -4.321 -27.735 1.00 31.44 C ATOM 738 C GLU A 50 -15.858 -5.413 -28.797 1.00 32.12 C ATOM 739 O GLU A 50 -16.659 -5.455 -29.731 1.00 33.41 O ATOM 740 CB GLU A 50 -17.277 -3.570 -27.874 1.00 63.05 C ATOM 741 CG GLU A 50 -17.898 -3.179 -26.544 1.00 42.41 C ATOM 742 CD GLU A 50 -18.476 -1.777 -26.560 1.00 51.12 C ATOM 743 OE1 GLU A 50 -19.023 -1.372 -27.607 1.00 42.02 O ATOM 744 OE2 GLU A 50 -18.382 -1.085 -25.525 1.00 23.13 O ATOM 0 H GLU A 50 -14.989 -2.610 -28.473 1.00 63.43 H new ATOM 0 HA GLU A 50 -15.909 -4.790 -26.752 1.00 31.44 H new ATOM 0 HB2 GLU A 50 -17.115 -2.671 -28.468 1.00 63.05 H new ATOM 0 HB3 GLU A 50 -17.982 -4.193 -28.425 1.00 63.05 H new ATOM 0 HG2 GLU A 50 -18.685 -3.890 -26.292 1.00 42.41 H new ATOM 0 HG3 GLU A 50 -17.143 -3.248 -25.761 1.00 42.41 H new ATOM 751 N TYR A 51 -14.875 -6.294 -28.647 1.00 12.32 N ATOM 752 CA TYR A 51 -14.675 -7.384 -29.594 1.00 23.11 C ATOM 753 C TYR A 51 -13.476 -8.240 -29.194 1.00 15.40 C ATOM 754 O TYR A 51 -12.868 -8.024 -28.145 1.00 53.02 O ATOM 755 CB TYR A 51 -14.472 -6.831 -31.005 1.00 40.34 C ATOM 756 CG TYR A 51 -15.590 -7.183 -31.960 1.00 70.23 C ATOM 757 CD1 TYR A 51 -15.977 -8.504 -32.151 1.00 41.23 C ATOM 758 CD2 TYR A 51 -16.260 -6.195 -32.671 1.00 12.10 C ATOM 759 CE1 TYR A 51 -16.997 -8.830 -33.023 1.00 73.23 C ATOM 760 CE2 TYR A 51 -17.283 -6.512 -33.544 1.00 42.01 C ATOM 761 CZ TYR A 51 -17.647 -7.831 -33.717 1.00 53.12 C ATOM 762 OH TYR A 51 -18.665 -8.152 -34.586 1.00 13.13 O ATOM 0 H TYR A 51 -14.204 -6.274 -27.879 1.00 12.32 H new ATOM 0 HA TYR A 51 -15.567 -8.011 -29.581 1.00 23.11 H new ATOM 0 HB2 TYR A 51 -14.380 -5.746 -30.951 1.00 40.34 H new ATOM 0 HB3 TYR A 51 -13.532 -7.212 -31.404 1.00 40.34 H new ATOM 0 HD1 TYR A 51 -15.471 -9.289 -31.608 1.00 41.23 H new ATOM 0 HD2 TYR A 51 -15.976 -5.161 -32.539 1.00 12.10 H new ATOM 0 HE1 TYR A 51 -17.284 -9.862 -33.161 1.00 73.23 H new ATOM 0 HE2 TYR A 51 -17.795 -5.732 -34.088 1.00 42.01 H new ATOM 0 HH TYR A 51 -19.018 -7.333 -34.993 1.00 13.13 H new ATOM 772 N ILE A 52 -13.143 -9.210 -30.038 1.00 33.53 N ATOM 773 CA ILE A 52 -12.017 -10.098 -29.774 1.00 53.22 C ATOM 774 C ILE A 52 -10.713 -9.314 -29.668 1.00 33.52 C ATOM 775 O ILE A 52 -10.588 -8.221 -30.216 1.00 51.54 O ATOM 776 CB ILE A 52 -11.873 -11.166 -30.874 1.00 60.11 C ATOM 777 CG1 ILE A 52 -11.044 -12.347 -30.363 1.00 54.43 C ATOM 778 CG2 ILE A 52 -11.236 -10.564 -32.117 1.00 51.55 C ATOM 779 CD1 ILE A 52 -11.678 -13.068 -29.194 1.00 64.45 C ATOM 0 H ILE A 52 -13.636 -9.401 -30.910 1.00 33.53 H new ATOM 0 HA ILE A 52 -12.220 -10.592 -28.824 1.00 53.22 H new ATOM 0 HB ILE A 52 -12.866 -11.530 -31.138 1.00 60.11 H new ATOM 0 HG12 ILE A 52 -10.894 -13.055 -31.178 1.00 54.43 H new ATOM 0 HG13 ILE A 52 -10.058 -11.988 -30.067 1.00 54.43 H new ATOM 0 HG21 ILE A 52 -11.141 -11.331 -32.885 1.00 51.55 H new ATOM 0 HG22 ILE A 52 -11.861 -9.753 -32.490 1.00 51.55 H new ATOM 0 HG23 ILE A 52 -10.248 -10.176 -31.868 1.00 51.55 H new ATOM 0 HD11 ILE A 52 -11.037 -13.893 -28.884 1.00 64.45 H new ATOM 0 HD12 ILE A 52 -11.803 -12.374 -28.363 1.00 64.45 H new ATOM 0 HD13 ILE A 52 -12.652 -13.458 -29.491 1.00 64.45 H new ATOM 791 N ASN A 53 -9.744 -9.884 -28.959 1.00 44.41 N ATOM 792 CA ASN A 53 -8.447 -9.239 -28.782 1.00 34.14 C ATOM 793 C ASN A 53 -7.793 -8.953 -30.130 1.00 12.32 C ATOM 794 O ASN A 53 -7.030 -7.997 -30.271 1.00 1.14 O ATOM 795 CB ASN A 53 -7.528 -10.120 -27.933 1.00 34.20 C ATOM 796 CG ASN A 53 -6.365 -9.345 -27.345 1.00 50.25 C ATOM 797 OD1 ASN A 53 -6.554 -8.313 -26.702 1.00 14.33 O ATOM 798 ND2 ASN A 53 -5.153 -9.840 -27.566 1.00 23.13 N ATOM 0 H ASN A 53 -9.832 -10.790 -28.498 1.00 44.41 H new ATOM 0 HA ASN A 53 -8.607 -8.291 -28.268 1.00 34.14 H new ATOM 0 HB2 ASN A 53 -8.106 -10.571 -27.126 1.00 34.20 H new ATOM 0 HB3 ASN A 53 -7.145 -10.936 -28.545 1.00 34.20 H new ATOM 0 HD21 ASN A 53 -4.331 -9.361 -27.197 1.00 23.13 H new ATOM 0 HD22 ASN A 53 -5.043 -10.699 -28.105 1.00 23.13 H new ATOM 805 N TYR A 54 -8.098 -9.787 -31.118 1.00 2.42 N ATOM 806 CA TYR A 54 -7.538 -9.625 -32.455 1.00 13.55 C ATOM 807 C TYR A 54 -8.644 -9.440 -33.489 1.00 52.32 C ATOM 808 O TYR A 54 -9.089 -10.399 -34.118 1.00 24.21 O ATOM 809 CB TYR A 54 -6.679 -10.836 -32.821 1.00 11.21 C ATOM 810 CG TYR A 54 -7.030 -12.084 -32.043 1.00 65.21 C ATOM 811 CD1 TYR A 54 -8.195 -12.790 -32.313 1.00 75.24 C ATOM 812 CD2 TYR A 54 -6.196 -12.557 -31.038 1.00 24.34 C ATOM 813 CE1 TYR A 54 -8.520 -13.931 -31.605 1.00 53.01 C ATOM 814 CE2 TYR A 54 -6.512 -13.698 -30.325 1.00 44.13 C ATOM 815 CZ TYR A 54 -7.675 -14.381 -30.612 1.00 61.04 C ATOM 816 OH TYR A 54 -7.994 -15.517 -29.904 1.00 40.20 O ATOM 0 H TYR A 54 -8.730 -10.582 -31.019 1.00 2.42 H new ATOM 0 HA TYR A 54 -6.913 -8.732 -32.454 1.00 13.55 H new ATOM 0 HB2 TYR A 54 -6.788 -11.039 -33.886 1.00 11.21 H new ATOM 0 HB3 TYR A 54 -5.631 -10.593 -32.648 1.00 11.21 H new ATOM 0 HD1 TYR A 54 -8.859 -12.441 -33.090 1.00 75.24 H new ATOM 0 HD2 TYR A 54 -5.285 -12.024 -30.810 1.00 24.34 H new ATOM 0 HE1 TYR A 54 -9.430 -14.468 -31.828 1.00 53.01 H new ATOM 0 HE2 TYR A 54 -5.852 -14.053 -29.547 1.00 44.13 H new ATOM 0 HH TYR A 54 -7.294 -15.698 -29.242 1.00 40.20 H new ATOM 826 N GLY A 55 -9.084 -8.197 -33.660 1.00 42.54 N ATOM 827 CA GLY A 55 -10.133 -7.906 -34.620 1.00 34.43 C ATOM 828 C GLY A 55 -11.345 -7.263 -33.976 1.00 15.21 C ATOM 829 O GLY A 55 -12.402 -7.883 -33.867 1.00 73.13 O ATOM 0 H GLY A 55 -8.733 -7.386 -33.151 1.00 42.54 H new ATOM 0 HA2 GLY A 55 -9.741 -7.244 -35.392 1.00 34.43 H new ATOM 0 HA3 GLY A 55 -10.435 -8.829 -35.115 1.00 34.43 H new ATOM 833 N GLY A 56 -11.192 -6.014 -33.546 1.00 13.12 N ATOM 834 CA GLY A 56 -12.291 -5.307 -32.913 1.00 23.41 C ATOM 835 C GLY A 56 -12.107 -3.803 -32.944 1.00 72.15 C ATOM 836 O GLY A 56 -11.125 -3.302 -33.491 1.00 65.25 O ATOM 0 H GLY A 56 -10.327 -5.479 -33.625 1.00 13.12 H new ATOM 0 HA2 GLY A 56 -13.223 -5.566 -33.415 1.00 23.41 H new ATOM 0 HA3 GLY A 56 -12.384 -5.637 -31.878 1.00 23.41 H new ATOM 840 N ARG A 57 -13.056 -3.080 -32.358 1.00 22.41 N ATOM 841 CA ARG A 57 -12.996 -1.624 -32.324 1.00 23.13 C ATOM 842 C ARG A 57 -12.049 -1.145 -31.227 1.00 42.34 C ATOM 843 O ARG A 57 -12.387 -1.175 -30.044 1.00 11.11 O ATOM 844 CB ARG A 57 -14.391 -1.040 -32.098 1.00 54.14 C ATOM 845 CG ARG A 57 -14.387 0.450 -31.800 1.00 0.42 C ATOM 846 CD ARG A 57 -14.854 0.736 -30.381 1.00 61.30 C ATOM 847 NE ARG A 57 -16.168 0.159 -30.111 1.00 13.30 N ATOM 848 CZ ARG A 57 -17.304 0.671 -30.573 1.00 20.24 C ATOM 849 NH1 ARG A 57 -17.286 1.763 -31.324 1.00 1.45 N ATOM 850 NH2 ARG A 57 -18.461 0.089 -30.284 1.00 21.13 N ATOM 0 H ARG A 57 -13.876 -3.479 -31.900 1.00 22.41 H new ATOM 0 HA ARG A 57 -12.616 -1.278 -33.285 1.00 23.13 H new ATOM 0 HB2 ARG A 57 -15.000 -1.223 -32.983 1.00 54.14 H new ATOM 0 HB3 ARG A 57 -14.866 -1.566 -31.270 1.00 54.14 H new ATOM 0 HG2 ARG A 57 -13.382 0.847 -31.940 1.00 0.42 H new ATOM 0 HG3 ARG A 57 -15.035 0.966 -32.508 1.00 0.42 H new ATOM 0 HD2 ARG A 57 -14.129 0.334 -29.673 1.00 61.30 H new ATOM 0 HD3 ARG A 57 -14.892 1.814 -30.222 1.00 61.30 H new ATOM 0 HE ARG A 57 -16.217 -0.683 -29.537 1.00 13.30 H new ATOM 0 HH11 ARG A 57 -16.399 2.213 -31.549 1.00 1.45 H new ATOM 0 HH12 ARG A 57 -18.160 2.154 -31.677 1.00 1.45 H new ATOM 0 HH21 ARG A 57 -18.479 -0.752 -29.707 1.00 21.13 H new ATOM 0 HH22 ARG A 57 -19.333 0.483 -30.639 1.00 21.13 H new ATOM 864 N TYR A 58 -10.862 -0.704 -31.629 1.00 51.43 N ATOM 865 CA TYR A 58 -9.865 -0.221 -30.681 1.00 51.43 C ATOM 866 C TYR A 58 -10.157 1.219 -30.270 1.00 44.44 C ATOM 867 O TYR A 58 -10.364 2.088 -31.117 1.00 40.34 O ATOM 868 CB TYR A 58 -8.465 -0.316 -31.289 1.00 44.21 C ATOM 869 CG TYR A 58 -7.422 0.478 -30.535 1.00 51.41 C ATOM 870 CD1 TYR A 58 -7.327 0.400 -29.151 1.00 61.02 C ATOM 871 CD2 TYR A 58 -6.531 1.307 -31.207 1.00 73.50 C ATOM 872 CE1 TYR A 58 -6.376 1.124 -28.458 1.00 54.44 C ATOM 873 CE2 TYR A 58 -5.577 2.034 -30.523 1.00 24.55 C ATOM 874 CZ TYR A 58 -5.503 1.940 -29.148 1.00 75.54 C ATOM 875 OH TYR A 58 -4.554 2.662 -28.462 1.00 73.30 O ATOM 0 H TYR A 58 -10.567 -0.671 -32.605 1.00 51.43 H new ATOM 0 HA TYR A 58 -9.911 -0.850 -29.792 1.00 51.43 H new ATOM 0 HB2 TYR A 58 -8.161 -1.362 -31.319 1.00 44.21 H new ATOM 0 HB3 TYR A 58 -8.501 0.035 -32.320 1.00 44.21 H new ATOM 0 HD1 TYR A 58 -8.008 -0.238 -28.607 1.00 61.02 H new ATOM 0 HD2 TYR A 58 -6.586 1.384 -32.283 1.00 73.50 H new ATOM 0 HE1 TYR A 58 -6.316 1.052 -27.382 1.00 54.44 H new ATOM 0 HE2 TYR A 58 -4.892 2.673 -31.061 1.00 24.55 H new ATOM 0 HH TYR A 58 -4.473 3.555 -28.858 1.00 73.30 H new ATOM 885 N TRP A 59 -10.170 1.464 -28.965 1.00 61.31 N ATOM 886 CA TRP A 59 -10.435 2.798 -28.440 1.00 52.53 C ATOM 887 C TRP A 59 -9.815 2.973 -27.059 1.00 4.44 C ATOM 888 O TRP A 59 -10.351 2.491 -26.061 1.00 73.54 O ATOM 889 CB TRP A 59 -11.942 3.052 -28.372 1.00 31.31 C ATOM 890 CG TRP A 59 -12.326 4.079 -27.350 1.00 51.03 C ATOM 891 CD1 TRP A 59 -11.879 5.367 -27.275 1.00 43.21 C ATOM 892 CD2 TRP A 59 -13.234 3.903 -26.257 1.00 51.14 C ATOM 893 NE1 TRP A 59 -12.454 6.003 -26.201 1.00 70.32 N ATOM 894 CE2 TRP A 59 -13.290 5.126 -25.561 1.00 51.53 C ATOM 895 CE3 TRP A 59 -14.007 2.832 -25.800 1.00 41.34 C ATOM 896 CZ2 TRP A 59 -14.087 5.305 -24.434 1.00 11.13 C ATOM 897 CZ3 TRP A 59 -14.797 3.011 -24.681 1.00 11.11 C ATOM 898 CH2 TRP A 59 -14.833 4.240 -24.008 1.00 72.23 C ATOM 0 H TRP A 59 -10.000 0.756 -28.251 1.00 61.31 H new ATOM 0 HA TRP A 59 -9.981 3.523 -29.116 1.00 52.53 H new ATOM 0 HB2 TRP A 59 -12.293 3.376 -29.352 1.00 31.31 H new ATOM 0 HB3 TRP A 59 -12.451 2.115 -28.145 1.00 31.31 H new ATOM 0 HD1 TRP A 59 -11.177 5.820 -27.959 1.00 43.21 H new ATOM 0 HE1 TRP A 59 -12.286 6.970 -25.925 1.00 70.32 H new ATOM 0 HE3 TRP A 59 -13.987 1.882 -26.312 1.00 41.34 H new ATOM 0 HZ2 TRP A 59 -14.116 6.251 -23.914 1.00 11.13 H new ATOM 0 HZ3 TRP A 59 -15.397 2.190 -24.318 1.00 11.11 H new ATOM 0 HH2 TRP A 59 -15.462 4.348 -23.137 1.00 72.23 H new ATOM 909 N ASP A 60 -8.682 3.666 -27.007 1.00 14.21 N ATOM 910 CA ASP A 60 -7.990 3.906 -25.746 1.00 65.32 C ATOM 911 C ASP A 60 -8.282 5.309 -25.224 1.00 21.25 C ATOM 912 O ASP A 60 -8.702 6.188 -25.977 1.00 2.54 O ATOM 913 CB ASP A 60 -6.482 3.718 -25.925 1.00 11.35 C ATOM 914 CG ASP A 60 -5.885 4.718 -26.895 1.00 52.22 C ATOM 915 OD1 ASP A 60 -6.662 5.425 -27.571 1.00 22.03 O ATOM 916 OD2 ASP A 60 -4.641 4.793 -26.980 1.00 53.50 O ATOM 0 H ASP A 60 -8.224 4.071 -27.823 1.00 14.21 H new ATOM 0 HA ASP A 60 -8.355 3.184 -25.016 1.00 65.32 H new ATOM 0 HB2 ASP A 60 -5.989 3.816 -24.958 1.00 11.35 H new ATOM 0 HB3 ASP A 60 -6.285 2.707 -26.282 1.00 11.35 H new ATOM 921 N LEU A 61 -8.058 5.511 -23.930 1.00 35.12 N ATOM 922 CA LEU A 61 -8.299 6.807 -23.305 1.00 42.22 C ATOM 923 C LEU A 61 -7.493 6.949 -22.018 1.00 11.11 C ATOM 924 O LEU A 61 -7.057 5.958 -21.434 1.00 13.03 O ATOM 925 CB LEU A 61 -9.789 6.985 -23.010 1.00 32.53 C ATOM 926 CG LEU A 61 -10.319 6.259 -21.772 1.00 40.41 C ATOM 927 CD1 LEU A 61 -10.841 7.258 -20.751 1.00 52.20 C ATOM 928 CD2 LEU A 61 -11.409 5.270 -22.159 1.00 42.42 C ATOM 0 H LEU A 61 -7.710 4.794 -23.293 1.00 35.12 H new ATOM 0 HA LEU A 61 -7.978 7.583 -24.000 1.00 42.22 H new ATOM 0 HB2 LEU A 61 -9.992 8.050 -22.897 1.00 32.53 H new ATOM 0 HB3 LEU A 61 -10.354 6.643 -23.877 1.00 32.53 H new ATOM 0 HG LEU A 61 -9.497 5.704 -21.320 1.00 40.41 H new ATOM 0 HD11 LEU A 61 -11.214 6.724 -19.877 1.00 52.20 H new ATOM 0 HD12 LEU A 61 -10.034 7.927 -20.451 1.00 52.20 H new ATOM 0 HD13 LEU A 61 -11.650 7.841 -21.192 1.00 52.20 H new ATOM 0 HD21 LEU A 61 -11.774 4.763 -21.266 1.00 42.42 H new ATOM 0 HD22 LEU A 61 -12.232 5.803 -22.635 1.00 42.42 H new ATOM 0 HD23 LEU A 61 -11.003 4.534 -22.853 1.00 42.42 H new ATOM 940 N GLY A 62 -7.301 8.190 -21.580 1.00 24.22 N ATOM 941 CA GLY A 62 -6.550 8.439 -20.363 1.00 64.32 C ATOM 942 C GLY A 62 -7.402 8.301 -19.117 1.00 63.43 C ATOM 943 O GLY A 62 -8.494 7.733 -19.146 1.00 51.41 O ATOM 0 H GLY A 62 -7.652 9.027 -22.046 1.00 24.22 H new ATOM 0 HA2 GLY A 62 -5.714 7.742 -20.307 1.00 64.32 H new ATOM 0 HA3 GLY A 62 -6.126 9.443 -20.400 1.00 64.32 H new ATOM 947 N PRO A 63 -6.899 8.827 -17.991 1.00 31.25 N ATOM 948 CA PRO A 63 -7.605 8.771 -16.707 1.00 72.11 C ATOM 949 C PRO A 63 -8.756 9.769 -16.635 1.00 31.42 C ATOM 950 O PRO A 63 -8.542 10.965 -16.447 1.00 51.53 O ATOM 951 CB PRO A 63 -6.520 9.132 -15.689 1.00 72.53 C ATOM 952 CG PRO A 63 -5.545 9.960 -16.452 1.00 53.24 C ATOM 953 CD PRO A 63 -5.603 9.517 -17.883 1.00 1.22 C ATOM 0 HA PRO A 63 -8.062 7.796 -16.535 1.00 72.11 H new ATOM 0 HB2 PRO A 63 -6.936 9.685 -14.847 1.00 72.53 H new ATOM 0 HB3 PRO A 63 -6.047 8.239 -15.281 1.00 72.53 H new ATOM 0 HG2 PRO A 63 -5.792 11.018 -16.368 1.00 53.24 H new ATOM 0 HG3 PRO A 63 -4.539 9.834 -16.052 1.00 53.24 H new ATOM 0 HD2 PRO A 63 -5.544 10.365 -18.566 1.00 1.22 H new ATOM 0 HD3 PRO A 63 -4.775 8.852 -18.129 1.00 1.22 H new ATOM 961 N GLY A 64 -9.979 9.267 -16.784 1.00 45.15 N ATOM 962 CA GLY A 64 -11.145 10.129 -16.733 1.00 32.44 C ATOM 963 C GLY A 64 -12.437 9.347 -16.597 1.00 52.52 C ATOM 964 O GLY A 64 -12.481 8.153 -16.890 1.00 3.11 O ATOM 0 H GLY A 64 -10.182 8.280 -16.939 1.00 45.15 H new ATOM 0 HA2 GLY A 64 -11.049 10.816 -15.892 1.00 32.44 H new ATOM 0 HA3 GLY A 64 -11.184 10.736 -17.637 1.00 32.44 H new ATOM 968 N GLU A 65 -13.491 10.023 -16.151 1.00 15.03 N ATOM 969 CA GLU A 65 -14.790 9.383 -15.975 1.00 23.31 C ATOM 970 C GLU A 65 -15.772 9.841 -17.049 1.00 14.14 C ATOM 971 O GLU A 65 -15.742 10.993 -17.482 1.00 14.34 O ATOM 972 CB GLU A 65 -15.353 9.694 -14.586 1.00 63.55 C ATOM 973 CG GLU A 65 -16.775 9.200 -14.382 1.00 20.31 C ATOM 974 CD GLU A 65 -17.804 10.303 -14.539 1.00 63.41 C ATOM 975 OE1 GLU A 65 -18.059 11.020 -13.549 1.00 42.54 O ATOM 976 OE2 GLU A 65 -18.354 10.448 -15.651 1.00 23.34 O ATOM 0 H GLU A 65 -13.471 11.013 -15.905 1.00 15.03 H new ATOM 0 HA GLU A 65 -14.652 8.306 -16.070 1.00 23.31 H new ATOM 0 HB2 GLU A 65 -14.708 9.242 -13.832 1.00 63.55 H new ATOM 0 HB3 GLU A 65 -15.325 10.772 -14.425 1.00 63.55 H new ATOM 0 HG2 GLU A 65 -16.986 8.406 -15.099 1.00 20.31 H new ATOM 0 HG3 GLU A 65 -16.865 8.763 -13.387 1.00 20.31 H new ATOM 983 N TYR A 66 -16.642 8.931 -17.474 1.00 4.23 N ATOM 984 CA TYR A 66 -17.632 9.240 -18.499 1.00 4.03 C ATOM 985 C TYR A 66 -18.786 8.243 -18.459 1.00 10.40 C ATOM 986 O TYR A 66 -18.654 7.145 -17.920 1.00 70.41 O ATOM 987 CB TYR A 66 -16.982 9.231 -19.884 1.00 34.43 C ATOM 988 CG TYR A 66 -17.179 7.934 -20.636 1.00 32.22 C ATOM 989 CD1 TYR A 66 -16.280 6.884 -20.498 1.00 3.15 C ATOM 990 CD2 TYR A 66 -18.266 7.758 -21.484 1.00 44.12 C ATOM 991 CE1 TYR A 66 -16.455 5.698 -21.183 1.00 72.15 C ATOM 992 CE2 TYR A 66 -18.450 6.575 -22.173 1.00 21.20 C ATOM 993 CZ TYR A 66 -17.542 5.548 -22.020 1.00 1.03 C ATOM 994 OH TYR A 66 -17.721 4.367 -22.704 1.00 10.54 O ATOM 0 H TYR A 66 -16.682 7.974 -17.124 1.00 4.23 H new ATOM 0 HA TYR A 66 -18.029 10.235 -18.298 1.00 4.03 H new ATOM 0 HB2 TYR A 66 -17.393 10.050 -20.475 1.00 34.43 H new ATOM 0 HB3 TYR A 66 -15.914 9.420 -19.776 1.00 34.43 H new ATOM 0 HD1 TYR A 66 -15.429 6.997 -19.843 1.00 3.15 H new ATOM 0 HD2 TYR A 66 -18.979 8.560 -21.606 1.00 44.12 H new ATOM 0 HE1 TYR A 66 -15.745 4.892 -21.064 1.00 72.15 H new ATOM 0 HE2 TYR A 66 -19.300 6.455 -22.828 1.00 21.20 H new ATOM 0 HH TYR A 66 -18.534 4.424 -23.249 1.00 10.54 H new ATOM 1004 N SER A 67 -19.918 8.636 -19.034 1.00 70.15 N ATOM 1005 CA SER A 67 -21.098 7.780 -19.063 1.00 60.41 C ATOM 1006 C SER A 67 -22.068 8.228 -20.152 1.00 14.15 C ATOM 1007 O SER A 67 -23.120 8.800 -19.864 1.00 42.10 O ATOM 1008 CB SER A 67 -21.798 7.794 -17.703 1.00 3.04 C ATOM 1009 OG SER A 67 -22.315 9.080 -17.409 1.00 4.24 O ATOM 0 H SER A 67 -20.043 9.542 -19.486 1.00 70.15 H new ATOM 0 HA SER A 67 -20.773 6.764 -19.286 1.00 60.41 H new ATOM 0 HB2 SER A 67 -22.607 7.064 -17.699 1.00 3.04 H new ATOM 0 HB3 SER A 67 -21.095 7.495 -16.926 1.00 3.04 H new ATOM 0 HG SER A 67 -22.813 9.417 -18.183 1.00 4.24 H new ATOM 1015 N SER A 68 -21.707 7.964 -21.403 1.00 72.21 N ATOM 1016 CA SER A 68 -22.543 8.343 -22.536 1.00 40.12 C ATOM 1017 C SER A 68 -23.606 7.282 -22.807 1.00 5.14 C ATOM 1018 O SER A 68 -23.620 6.226 -22.174 1.00 14.33 O ATOM 1019 CB SER A 68 -21.683 8.550 -23.785 1.00 32.23 C ATOM 1020 OG SER A 68 -20.717 9.565 -23.576 1.00 23.21 O ATOM 0 H SER A 68 -20.841 7.489 -21.658 1.00 72.21 H new ATOM 0 HA SER A 68 -23.044 9.279 -22.289 1.00 40.12 H new ATOM 0 HB2 SER A 68 -21.184 7.617 -24.046 1.00 32.23 H new ATOM 0 HB3 SER A 68 -22.319 8.817 -24.628 1.00 32.23 H new ATOM 0 HG SER A 68 -20.179 9.677 -24.388 1.00 23.21 H new ATOM 1026 N VAL A 69 -24.494 7.571 -23.752 1.00 52.10 N ATOM 1027 CA VAL A 69 -25.561 6.643 -24.108 1.00 65.23 C ATOM 1028 C VAL A 69 -25.911 6.750 -25.588 1.00 41.12 C ATOM 1029 O VAL A 69 -26.958 6.272 -26.024 1.00 65.01 O ATOM 1030 CB VAL A 69 -26.829 6.897 -23.272 1.00 43.00 C ATOM 1031 CG1 VAL A 69 -27.517 8.177 -23.721 1.00 3.22 C ATOM 1032 CG2 VAL A 69 -27.776 5.711 -23.368 1.00 34.10 C ATOM 0 H VAL A 69 -24.496 8.441 -24.285 1.00 52.10 H new ATOM 0 HA VAL A 69 -25.191 5.640 -23.896 1.00 65.23 H new ATOM 0 HB VAL A 69 -26.538 7.017 -22.228 1.00 43.00 H new ATOM 0 HG11 VAL A 69 -28.411 8.340 -23.119 1.00 3.22 H new ATOM 0 HG12 VAL A 69 -26.836 9.019 -23.596 1.00 3.22 H new ATOM 0 HG13 VAL A 69 -27.797 8.090 -24.771 1.00 3.22 H new ATOM 0 HG21 VAL A 69 -28.667 5.907 -22.771 1.00 34.10 H new ATOM 0 HG22 VAL A 69 -28.063 5.558 -24.408 1.00 34.10 H new ATOM 0 HG23 VAL A 69 -27.278 4.817 -22.993 1.00 34.10 H new ATOM 1042 N GLU A 70 -25.027 7.381 -26.356 1.00 35.23 N ATOM 1043 CA GLU A 70 -25.244 7.551 -27.788 1.00 34.14 C ATOM 1044 C GLU A 70 -24.007 8.139 -28.459 1.00 50.42 C ATOM 1045 O GLU A 70 -24.111 8.868 -29.446 1.00 65.21 O ATOM 1046 CB GLU A 70 -26.453 8.455 -28.039 1.00 32.21 C ATOM 1047 CG GLU A 70 -26.355 9.807 -27.353 1.00 40.12 C ATOM 1048 CD GLU A 70 -26.386 10.963 -28.335 1.00 24.52 C ATOM 1049 OE1 GLU A 70 -25.366 11.186 -29.020 1.00 54.45 O ATOM 1050 OE2 GLU A 70 -27.430 11.643 -28.417 1.00 62.31 O ATOM 0 H GLU A 70 -24.155 7.782 -26.011 1.00 35.23 H new ATOM 0 HA GLU A 70 -25.438 6.569 -28.220 1.00 34.14 H new ATOM 0 HB2 GLU A 70 -26.564 8.609 -29.112 1.00 32.21 H new ATOM 0 HB3 GLU A 70 -27.354 7.947 -27.695 1.00 32.21 H new ATOM 0 HG2 GLU A 70 -27.179 9.913 -26.647 1.00 40.12 H new ATOM 0 HG3 GLU A 70 -25.432 9.851 -26.775 1.00 40.12 H new ATOM 1057 N SER A 71 -22.837 7.818 -27.916 1.00 50.32 N ATOM 1058 CA SER A 71 -21.579 8.318 -28.459 1.00 54.13 C ATOM 1059 C SER A 71 -20.439 7.346 -28.172 1.00 72.23 C ATOM 1060 O SER A 71 -19.267 7.718 -28.211 1.00 0.22 O ATOM 1061 CB SER A 71 -21.254 9.692 -27.869 1.00 34.53 C ATOM 1062 OG SER A 71 -20.073 10.226 -28.441 1.00 13.12 O ATOM 0 H SER A 71 -22.734 7.214 -27.101 1.00 50.32 H new ATOM 0 HA SER A 71 -21.690 8.412 -29.539 1.00 54.13 H new ATOM 0 HB2 SER A 71 -22.087 10.373 -28.045 1.00 34.53 H new ATOM 0 HB3 SER A 71 -21.133 9.608 -26.789 1.00 34.53 H new ATOM 0 HG SER A 71 -19.381 9.533 -28.470 1.00 13.12 H new ATOM 1068 N ALA A 72 -20.793 6.098 -27.884 1.00 61.55 N ATOM 1069 CA ALA A 72 -19.801 5.070 -27.593 1.00 4.42 C ATOM 1070 C ALA A 72 -20.090 3.791 -28.370 1.00 35.32 C ATOM 1071 O ALA A 72 -19.647 2.708 -27.990 1.00 2.13 O ATOM 1072 CB ALA A 72 -19.760 4.785 -26.099 1.00 4.21 C ATOM 0 H ALA A 72 -21.759 5.774 -27.846 1.00 61.55 H new ATOM 0 HA ALA A 72 -18.826 5.442 -27.908 1.00 4.42 H new ATOM 0 HB1 ALA A 72 -19.015 4.016 -25.896 1.00 4.21 H new ATOM 0 HB2 ALA A 72 -19.496 5.696 -25.562 1.00 4.21 H new ATOM 0 HB3 ALA A 72 -20.739 4.439 -25.768 1.00 4.21 H new ATOM 1078 N GLY A 73 -20.839 3.923 -29.461 1.00 31.32 N ATOM 1079 CA GLY A 73 -21.176 2.768 -30.273 1.00 40.54 C ATOM 1080 C GLY A 73 -22.074 1.789 -29.545 1.00 32.32 C ATOM 1081 O GLY A 73 -21.653 1.150 -28.580 1.00 12.01 O ATOM 0 H GLY A 73 -21.218 4.808 -29.797 1.00 31.32 H new ATOM 0 HA2 GLY A 73 -21.671 3.101 -31.185 1.00 40.54 H new ATOM 0 HA3 GLY A 73 -20.260 2.260 -30.575 1.00 40.54 H new ATOM 1085 N ILE A 74 -23.315 1.671 -30.006 1.00 21.34 N ATOM 1086 CA ILE A 74 -24.274 0.762 -29.390 1.00 55.24 C ATOM 1087 C ILE A 74 -24.717 -0.317 -30.372 1.00 72.24 C ATOM 1088 O ILE A 74 -25.875 -0.378 -30.786 1.00 33.23 O ATOM 1089 CB ILE A 74 -25.516 1.517 -28.880 1.00 34.51 C ATOM 1090 CG1 ILE A 74 -25.098 2.696 -27.999 1.00 63.52 C ATOM 1091 CG2 ILE A 74 -26.431 0.573 -28.112 1.00 45.32 C ATOM 1092 CD1 ILE A 74 -26.264 3.510 -27.485 1.00 71.02 C ATOM 0 H ILE A 74 -23.679 2.193 -30.803 1.00 21.34 H new ATOM 0 HA ILE A 74 -23.769 0.295 -28.544 1.00 55.24 H new ATOM 0 HB ILE A 74 -26.064 1.906 -29.738 1.00 34.51 H new ATOM 0 HG12 ILE A 74 -24.526 2.320 -27.151 1.00 63.52 H new ATOM 0 HG13 ILE A 74 -24.434 3.347 -28.568 1.00 63.52 H new ATOM 0 HG21 ILE A 74 -27.304 1.121 -27.758 1.00 45.32 H new ATOM 0 HG22 ILE A 74 -26.752 -0.236 -28.768 1.00 45.32 H new ATOM 0 HG23 ILE A 74 -25.893 0.158 -27.260 1.00 45.32 H new ATOM 0 HD11 ILE A 74 -25.893 4.328 -26.868 1.00 71.02 H new ATOM 0 HD12 ILE A 74 -26.824 3.916 -28.328 1.00 71.02 H new ATOM 0 HD13 ILE A 74 -26.917 2.873 -26.888 1.00 71.02 H new ATOM 1104 N PRO A 75 -23.775 -1.192 -30.755 1.00 2.33 N ATOM 1105 CA PRO A 75 -24.044 -2.287 -31.691 1.00 33.01 C ATOM 1106 C PRO A 75 -24.494 -3.559 -30.981 1.00 21.33 C ATOM 1107 O PRO A 75 -25.607 -4.041 -31.194 1.00 42.43 O ATOM 1108 CB PRO A 75 -22.694 -2.507 -32.378 1.00 12.20 C ATOM 1109 CG PRO A 75 -21.892 -1.300 -32.031 1.00 61.42 C ATOM 1110 CD PRO A 75 -22.374 -1.179 -30.302 1.00 44.11 C ATOM 0 HA PRO A 75 -24.853 -2.045 -32.380 1.00 33.01 H new ATOM 0 HB2 PRO A 75 -22.213 -3.418 -32.022 1.00 12.20 H new ATOM 0 HB3 PRO A 75 -22.811 -2.608 -33.457 1.00 12.20 H new ATOM 0 HG2 PRO A 75 -20.820 -1.447 -32.166 1.00 61.42 H new ATOM 0 HG3 PRO A 75 -22.169 -0.422 -32.614 1.00 61.42 H new ATOM 0 HD2 PRO A 75 -22.078 -2.019 -29.674 1.00 44.11 H new ATOM 0 HD3 PRO A 75 -22.056 -0.271 -29.790 1.00 44.11 H new ATOM 1118 N ASP A 76 -23.623 -4.099 -30.135 1.00 44.35 N ATOM 1119 CA ASP A 76 -23.931 -5.315 -29.392 1.00 40.11 C ATOM 1120 C ASP A 76 -22.795 -5.672 -28.439 1.00 65.22 C ATOM 1121 O ASP A 76 -21.644 -5.806 -28.853 1.00 3.12 O ATOM 1122 CB ASP A 76 -24.190 -6.475 -30.355 1.00 4.21 C ATOM 1123 CG ASP A 76 -25.548 -7.113 -30.141 1.00 50.10 C ATOM 1124 OD1 ASP A 76 -25.872 -7.442 -28.981 1.00 73.31 O ATOM 1125 OD2 ASP A 76 -26.287 -7.284 -31.134 1.00 3.23 O ATOM 0 H ASP A 76 -22.698 -3.713 -29.947 1.00 44.35 H new ATOM 0 HA ASP A 76 -24.831 -5.134 -28.804 1.00 40.11 H new ATOM 0 HB2 ASP A 76 -24.119 -6.114 -31.381 1.00 4.21 H new ATOM 0 HB3 ASP A 76 -23.413 -7.229 -30.228 1.00 4.21 H new ATOM 1130 N ASN A 77 -23.126 -5.824 -27.161 1.00 74.32 N ATOM 1131 CA ASN A 77 -22.133 -6.164 -26.149 1.00 32.41 C ATOM 1132 C ASN A 77 -21.731 -7.632 -26.253 1.00 63.32 C ATOM 1133 O ASN A 77 -22.257 -8.483 -25.536 1.00 71.43 O ATOM 1134 CB ASN A 77 -22.680 -5.872 -24.750 1.00 45.10 C ATOM 1135 CG ASN A 77 -21.596 -5.897 -23.689 1.00 40.53 C ATOM 1136 OD1 ASN A 77 -21.203 -4.855 -23.163 1.00 34.20 O ATOM 1137 ND2 ASN A 77 -21.107 -7.089 -23.371 1.00 20.41 N ATOM 0 H ASN A 77 -24.075 -5.717 -26.802 1.00 74.32 H new ATOM 0 HA ASN A 77 -21.249 -5.550 -26.322 1.00 32.41 H new ATOM 0 HB2 ASN A 77 -23.164 -4.895 -24.748 1.00 45.10 H new ATOM 0 HB3 ASN A 77 -23.445 -6.607 -24.501 1.00 45.10 H new ATOM 0 HD21 ASN A 77 -20.375 -7.168 -22.665 1.00 20.41 H new ATOM 0 HD22 ASN A 77 -21.463 -7.926 -23.833 1.00 20.41 H new ATOM 1144 N SER A 78 -20.794 -7.921 -27.151 1.00 22.12 N ATOM 1145 CA SER A 78 -20.323 -9.286 -27.352 1.00 25.34 C ATOM 1146 C SER A 78 -18.799 -9.331 -27.413 1.00 62.53 C ATOM 1147 O SER A 78 -18.170 -8.518 -28.091 1.00 1.13 O ATOM 1148 CB SER A 78 -20.914 -9.869 -28.637 1.00 3.41 C ATOM 1149 OG SER A 78 -20.629 -11.252 -28.748 1.00 34.42 O ATOM 0 H SER A 78 -20.346 -7.228 -27.751 1.00 22.12 H new ATOM 0 HA SER A 78 -20.654 -9.886 -26.504 1.00 25.34 H new ATOM 0 HB2 SER A 78 -21.993 -9.715 -28.647 1.00 3.41 H new ATOM 0 HB3 SER A 78 -20.508 -9.341 -29.500 1.00 3.41 H new ATOM 0 HG SER A 78 -21.019 -11.601 -29.577 1.00 34.42 H new ATOM 1155 N ILE A 79 -18.212 -10.288 -26.701 1.00 53.23 N ATOM 1156 CA ILE A 79 -16.763 -10.440 -26.675 1.00 61.45 C ATOM 1157 C ILE A 79 -16.076 -9.113 -26.372 1.00 22.32 C ATOM 1158 O ILE A 79 -15.027 -8.802 -26.936 1.00 71.12 O ATOM 1159 CB ILE A 79 -16.230 -10.987 -28.013 1.00 54.02 C ATOM 1160 CG1 ILE A 79 -17.156 -12.083 -28.546 1.00 23.02 C ATOM 1161 CG2 ILE A 79 -14.815 -11.518 -27.843 1.00 1.14 C ATOM 1162 CD1 ILE A 79 -16.696 -12.677 -29.859 1.00 41.50 C ATOM 0 H ILE A 79 -18.718 -10.969 -26.135 1.00 53.23 H new ATOM 0 HA ILE A 79 -16.535 -11.154 -25.883 1.00 61.45 H new ATOM 0 HB ILE A 79 -16.206 -10.173 -28.737 1.00 54.02 H new ATOM 0 HG12 ILE A 79 -17.230 -12.877 -27.803 1.00 23.02 H new ATOM 0 HG13 ILE A 79 -18.157 -11.671 -28.674 1.00 23.02 H new ATOM 0 HG21 ILE A 79 -14.453 -11.901 -28.797 1.00 1.14 H new ATOM 0 HG22 ILE A 79 -14.163 -10.713 -27.504 1.00 1.14 H new ATOM 0 HG23 ILE A 79 -14.814 -12.321 -27.106 1.00 1.14 H new ATOM 0 HD11 ILE A 79 -17.400 -13.447 -30.176 1.00 41.50 H new ATOM 0 HD12 ILE A 79 -16.649 -11.894 -30.616 1.00 41.50 H new ATOM 0 HD13 ILE A 79 -15.708 -13.119 -29.732 1.00 41.50 H new ATOM 1174 N SER A 80 -16.673 -8.335 -25.475 1.00 34.41 N ATOM 1175 CA SER A 80 -16.120 -7.040 -25.097 1.00 32.22 C ATOM 1176 C SER A 80 -15.028 -7.202 -24.044 1.00 62.52 C ATOM 1177 O SER A 80 -15.130 -8.044 -23.152 1.00 15.03 O ATOM 1178 CB SER A 80 -17.225 -6.126 -24.565 1.00 12.33 C ATOM 1179 OG SER A 80 -18.380 -6.192 -25.383 1.00 12.00 O ATOM 0 H SER A 80 -17.540 -8.579 -24.996 1.00 34.41 H new ATOM 0 HA SER A 80 -15.680 -6.587 -25.985 1.00 32.22 H new ATOM 0 HB2 SER A 80 -17.481 -6.415 -23.546 1.00 12.33 H new ATOM 0 HB3 SER A 80 -16.863 -5.099 -24.524 1.00 12.33 H new ATOM 0 HG SER A 80 -19.072 -5.600 -25.020 1.00 12.00 H new ATOM 1185 N SER A 81 -13.982 -6.390 -24.156 1.00 64.21 N ATOM 1186 CA SER A 81 -12.867 -6.445 -23.217 1.00 73.11 C ATOM 1187 C SER A 81 -12.062 -5.150 -23.253 1.00 40.25 C ATOM 1188 O SER A 81 -12.110 -4.402 -24.231 1.00 34.34 O ATOM 1189 CB SER A 81 -11.959 -7.633 -23.540 1.00 1.00 C ATOM 1190 OG SER A 81 -11.924 -8.555 -22.465 1.00 22.24 O ATOM 0 H SER A 81 -13.883 -5.686 -24.887 1.00 64.21 H new ATOM 0 HA SER A 81 -13.275 -6.571 -22.214 1.00 73.11 H new ATOM 0 HB2 SER A 81 -12.316 -8.133 -24.441 1.00 1.00 H new ATOM 0 HB3 SER A 81 -10.951 -7.277 -23.751 1.00 1.00 H new ATOM 0 HG SER A 81 -11.338 -9.306 -22.697 1.00 22.24 H new ATOM 1196 N PHE A 82 -11.321 -4.891 -22.181 1.00 15.31 N ATOM 1197 CA PHE A 82 -10.506 -3.686 -22.088 1.00 44.41 C ATOM 1198 C PHE A 82 -9.280 -3.925 -21.211 1.00 42.24 C ATOM 1199 O PHE A 82 -9.391 -4.435 -20.096 1.00 41.53 O ATOM 1200 CB PHE A 82 -11.331 -2.527 -21.525 1.00 34.24 C ATOM 1201 CG PHE A 82 -11.681 -2.690 -20.073 1.00 25.52 C ATOM 1202 CD1 PHE A 82 -12.517 -3.715 -19.659 1.00 2.32 C ATOM 1203 CD2 PHE A 82 -11.172 -1.820 -19.122 1.00 60.22 C ATOM 1204 CE1 PHE A 82 -12.840 -3.867 -18.324 1.00 12.53 C ATOM 1205 CE2 PHE A 82 -11.492 -1.967 -17.786 1.00 25.45 C ATOM 1206 CZ PHE A 82 -12.326 -2.993 -17.386 1.00 0.42 C ATOM 0 H PHE A 82 -11.268 -5.500 -21.364 1.00 15.31 H new ATOM 0 HA PHE A 82 -10.169 -3.428 -23.092 1.00 44.41 H new ATOM 0 HB2 PHE A 82 -10.774 -1.599 -21.654 1.00 34.24 H new ATOM 0 HB3 PHE A 82 -12.250 -2.431 -22.103 1.00 34.24 H new ATOM 0 HD1 PHE A 82 -12.920 -4.402 -20.388 1.00 2.32 H new ATOM 0 HD2 PHE A 82 -10.517 -1.018 -19.429 1.00 60.22 H new ATOM 0 HE1 PHE A 82 -13.494 -4.669 -18.014 1.00 12.53 H new ATOM 0 HE2 PHE A 82 -11.091 -1.281 -17.055 1.00 25.45 H new ATOM 0 HZ PHE A 82 -12.576 -3.112 -16.342 1.00 0.42 H new ATOM 1216 N ARG A 83 -8.111 -3.554 -21.724 1.00 54.54 N ATOM 1217 CA ARG A 83 -6.864 -3.729 -20.990 1.00 52.10 C ATOM 1218 C ARG A 83 -6.416 -2.414 -20.358 1.00 63.33 C ATOM 1219 O ARG A 83 -6.289 -1.399 -21.041 1.00 50.45 O ATOM 1220 CB ARG A 83 -5.771 -4.260 -21.919 1.00 41.10 C ATOM 1221 CG ARG A 83 -4.369 -4.134 -21.345 1.00 14.24 C ATOM 1222 CD ARG A 83 -3.570 -5.412 -21.541 1.00 64.11 C ATOM 1223 NE ARG A 83 -2.233 -5.146 -22.065 1.00 25.21 N ATOM 1224 CZ ARG A 83 -1.999 -4.716 -23.300 1.00 11.23 C ATOM 1225 NH1 ARG A 83 -3.008 -4.503 -24.133 1.00 72.31 N ATOM 1226 NH2 ARG A 83 -0.754 -4.496 -23.703 1.00 32.40 N ATOM 0 H ARG A 83 -8.002 -3.130 -22.645 1.00 54.54 H new ATOM 0 HA ARG A 83 -7.038 -4.453 -20.194 1.00 52.10 H new ATOM 0 HB2 ARG A 83 -5.971 -5.309 -22.139 1.00 41.10 H new ATOM 0 HB3 ARG A 83 -5.817 -3.721 -22.865 1.00 41.10 H new ATOM 0 HG2 ARG A 83 -3.852 -3.303 -21.825 1.00 14.24 H new ATOM 0 HG3 ARG A 83 -4.430 -3.901 -20.282 1.00 14.24 H new ATOM 0 HD2 ARG A 83 -3.489 -5.938 -20.590 1.00 64.11 H new ATOM 0 HD3 ARG A 83 -4.103 -6.072 -22.226 1.00 64.11 H new ATOM 0 HE ARG A 83 -1.435 -5.299 -21.449 1.00 25.21 H new ATOM 0 HH11 ARG A 83 -3.966 -4.669 -23.826 1.00 72.31 H new ATOM 0 HH12 ARG A 83 -2.826 -4.173 -25.081 1.00 72.31 H new ATOM 0 HH21 ARG A 83 0.025 -4.657 -23.064 1.00 32.40 H new ATOM 0 HH22 ARG A 83 -0.576 -4.166 -24.652 1.00 32.40 H new ATOM 1240 N GLN A 84 -6.178 -2.443 -19.051 1.00 11.30 N ATOM 1241 CA GLN A 84 -5.745 -1.253 -18.328 1.00 12.03 C ATOM 1242 C GLN A 84 -4.230 -1.244 -18.151 1.00 73.24 C ATOM 1243 O GLN A 84 -3.629 -2.266 -17.821 1.00 25.34 O ATOM 1244 CB GLN A 84 -6.430 -1.183 -16.962 1.00 21.44 C ATOM 1245 CG GLN A 84 -7.491 -0.099 -16.868 1.00 34.33 C ATOM 1246 CD GLN A 84 -8.789 -0.604 -16.269 1.00 15.12 C ATOM 1247 OE1 GLN A 84 -9.001 -1.810 -16.142 1.00 63.45 O ATOM 1248 NE2 GLN A 84 -9.668 0.319 -15.896 1.00 1.43 N ATOM 0 H GLN A 84 -6.277 -3.276 -18.471 1.00 11.30 H new ATOM 0 HA GLN A 84 -6.029 -0.379 -18.915 1.00 12.03 H new ATOM 0 HB2 GLN A 84 -6.888 -2.148 -16.745 1.00 21.44 H new ATOM 0 HB3 GLN A 84 -5.675 -1.009 -16.195 1.00 21.44 H new ATOM 0 HG2 GLN A 84 -7.112 0.724 -16.262 1.00 34.33 H new ATOM 0 HG3 GLN A 84 -7.686 0.301 -17.863 1.00 34.33 H new ATOM 0 HE21 GLN A 84 -9.452 1.308 -16.019 1.00 1.43 H new ATOM 0 HE22 GLN A 84 -10.559 0.039 -15.486 1.00 1.43 H new ATOM 1257 N ILE A 85 -3.620 -0.085 -18.375 1.00 34.13 N ATOM 1258 CA ILE A 85 -2.176 0.056 -18.240 1.00 21.04 C ATOM 1259 C ILE A 85 -1.821 1.056 -17.144 1.00 73.13 C ATOM 1260 O ILE A 85 -1.873 2.260 -17.388 1.00 45.35 O ATOM 1261 CB ILE A 85 -1.528 0.509 -19.562 1.00 34.34 C ATOM 1262 CG1 ILE A 85 -2.222 -0.160 -20.750 1.00 34.10 C ATOM 1263 CG2 ILE A 85 -0.041 0.187 -19.560 1.00 54.33 C ATOM 1264 CD1 ILE A 85 -2.230 -1.671 -20.674 1.00 2.25 C ATOM 0 H ILE A 85 -4.104 0.770 -18.651 1.00 34.13 H new ATOM 0 HA ILE A 85 -1.787 -0.926 -17.972 1.00 21.04 H new ATOM 0 HB ILE A 85 -1.646 1.588 -19.657 1.00 34.34 H new ATOM 0 HG12 ILE A 85 -3.250 0.198 -20.808 1.00 34.10 H new ATOM 0 HG13 ILE A 85 -1.725 0.147 -21.670 1.00 34.10 H new ATOM 0 HG21 ILE A 85 0.403 0.513 -20.501 1.00 54.33 H new ATOM 0 HG22 ILE A 85 0.442 0.705 -18.732 1.00 54.33 H new ATOM 0 HG23 ILE A 85 0.098 -0.888 -19.446 1.00 54.33 H new ATOM 0 HD11 ILE A 85 -2.738 -2.077 -21.549 1.00 2.25 H new ATOM 0 HD12 ILE A 85 -1.204 -2.039 -20.647 1.00 2.25 H new ATOM 0 HD13 ILE A 85 -2.753 -1.987 -19.772 1.00 2.25 H new