USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 738 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 18 TYR OH : rot 110:sc= 0.88 USER MOD Set 1.2: A 20 GLN : amide:sc= 1.01 X(o=1.9,f=1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 4 SER OG : rot 180:sc= 0.037 USER MOD Single : A 5 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.75) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 7 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.58) USER MOD Single : A 8 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.0043) USER MOD Single : A 9 HIS : no HD1:sc= -0.045 X(o=-0.045,f=-0.29) USER MOD Single : A 10 HIS : no HD1:sc=-0.00331 X(o=-0.0033,f=-0.0033) USER MOD Single : A 11 SER OG : rot 46:sc= 0.161 USER MOD Single : A 12 SER OG : rot 180:sc= -0.087 USER MOD Single : A 16 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.9!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.078) USER MOD Single : A 29 THR OG1 : rot 97:sc= 1.17 USER MOD Single : A 30 ASN : amide:sc= -0.93 K(o=-0.93,f=0) USER MOD Single : A 36 SER OG : rot 86:sc= 1.29 USER MOD Single : A 49 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 55 ASN : amide:sc= -0.0155 K(o=-0.015,f=-2.4) USER MOD Single : A 56 MET CE :methyl 156:sc= -0.14 (180deg=-0.797) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.9!) USER MOD Single : A 85 THR OG1 : rot 71:sc= 1.33 USER MOD Single : A 91 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0.039) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.648 58.815 22.081 1.00 0.00 N ATOM 2 CA MET A 1 -13.814 58.764 21.170 1.00 52.33 C ATOM 3 C MET A 1 -14.227 57.317 20.928 1.00 50.10 C ATOM 4 O MET A 1 -15.410 56.982 20.942 1.00 71.11 O ATOM 5 CB MET A 1 -13.464 59.441 19.842 1.00 34.15 C ATOM 6 CG MET A 1 -14.626 59.523 18.864 1.00 43.15 C ATOM 7 SD MET A 1 -14.157 60.291 17.300 1.00 21.54 S ATOM 8 CE MET A 1 -15.726 60.283 16.436 1.00 70.31 C ATOM 0 H1 MET A 1 -12.479 59.798 22.374 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.837 58.231 22.920 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.807 58.451 21.589 1.00 0.00 H new ATOM 0 HA MET A 1 -14.648 59.293 21.630 1.00 52.33 H new ATOM 0 HB2 MET A 1 -13.101 60.449 20.044 1.00 34.15 H new ATOM 0 HB3 MET A 1 -12.645 58.896 19.373 1.00 34.15 H new ATOM 0 HG2 MET A 1 -15.008 58.520 18.673 1.00 43.15 H new ATOM 0 HG3 MET A 1 -15.438 60.092 19.316 1.00 43.15 H new ATOM 0 HE1 MET A 1 -15.600 60.728 15.449 1.00 70.31 H new ATOM 0 HE2 MET A 1 -16.078 59.257 16.330 1.00 70.31 H new ATOM 0 HE3 MET A 1 -16.457 60.860 17.003 1.00 70.31 H new ATOM 20 N GLY A 2 -13.237 56.463 20.716 1.00 64.34 N ATOM 21 CA GLY A 2 -13.486 55.055 20.497 1.00 0.44 C ATOM 22 C GLY A 2 -12.188 54.287 20.404 1.00 23.05 C ATOM 23 O GLY A 2 -11.941 53.577 19.432 1.00 61.40 O ATOM 0 H GLY A 2 -12.252 56.726 20.692 1.00 64.34 H new ATOM 0 HA2 GLY A 2 -14.091 54.657 21.312 1.00 0.44 H new ATOM 0 HA3 GLY A 2 -14.059 54.921 19.580 1.00 0.44 H new ATOM 27 N SER A 3 -11.363 54.436 21.429 1.00 73.55 N ATOM 28 CA SER A 3 -10.017 53.883 21.434 1.00 52.14 C ATOM 29 C SER A 3 -9.982 52.477 22.025 1.00 64.20 C ATOM 30 O SER A 3 -8.940 51.819 22.020 1.00 54.22 O ATOM 31 CB SER A 3 -9.102 54.811 22.234 1.00 44.44 C ATOM 32 OG SER A 3 -9.705 55.179 23.471 1.00 71.41 O ATOM 0 H SER A 3 -11.607 54.943 22.280 1.00 73.55 H new ATOM 0 HA SER A 3 -9.672 53.809 20.403 1.00 52.14 H new ATOM 0 HB2 SER A 3 -8.150 54.315 22.423 1.00 44.44 H new ATOM 0 HB3 SER A 3 -8.885 55.706 21.650 1.00 44.44 H new ATOM 0 HG SER A 3 -9.101 55.771 23.966 1.00 71.41 H new ATOM 38 N SER A 4 -11.124 52.020 22.517 1.00 12.24 N ATOM 39 CA SER A 4 -11.215 50.729 23.189 1.00 3.04 C ATOM 40 C SER A 4 -11.200 49.559 22.201 1.00 74.31 C ATOM 41 O SER A 4 -12.221 48.909 21.968 1.00 3.51 O ATOM 42 CB SER A 4 -12.477 50.685 24.056 1.00 54.01 C ATOM 43 OG SER A 4 -13.594 51.214 23.360 1.00 63.21 O ATOM 0 H SER A 4 -12.007 52.527 22.463 1.00 12.24 H new ATOM 0 HA SER A 4 -10.334 50.621 23.822 1.00 3.04 H new ATOM 0 HB2 SER A 4 -12.683 49.656 24.352 1.00 54.01 H new ATOM 0 HB3 SER A 4 -12.313 51.253 24.972 1.00 54.01 H new ATOM 0 HG SER A 4 -14.387 51.173 23.935 1.00 63.21 H new ATOM 49 N HIS A 5 -10.036 49.306 21.608 1.00 75.30 N ATOM 50 CA HIS A 5 -9.869 48.176 20.701 1.00 40.51 C ATOM 51 C HIS A 5 -8.395 47.853 20.476 1.00 64.43 C ATOM 52 O HIS A 5 -7.617 48.702 20.056 1.00 0.24 O ATOM 53 CB HIS A 5 -10.567 48.423 19.350 1.00 11.41 C ATOM 54 CG HIS A 5 -10.176 49.692 18.644 1.00 21.40 C ATOM 55 ND1 HIS A 5 -9.044 49.815 17.869 1.00 62.23 N ATOM 56 CD2 HIS A 5 -10.795 50.893 18.586 1.00 64.10 C ATOM 57 CE1 HIS A 5 -8.985 51.031 17.366 1.00 71.51 C ATOM 58 NE2 HIS A 5 -10.036 51.707 17.783 1.00 62.31 N ATOM 0 H HIS A 5 -9.195 49.869 21.740 1.00 75.30 H new ATOM 0 HA HIS A 5 -10.342 47.318 21.179 1.00 40.51 H new ATOM 0 HB2 HIS A 5 -10.355 47.581 18.691 1.00 11.41 H new ATOM 0 HB3 HIS A 5 -11.645 48.436 19.514 1.00 11.41 H new ATOM 0 HD2 HIS A 5 -11.717 51.162 19.080 1.00 64.10 H new ATOM 0 HE1 HIS A 5 -8.206 51.410 16.721 1.00 71.51 H new ATOM 0 HE2 HIS A 5 -10.250 52.676 17.548 1.00 62.31 H new ATOM 67 N HIS A 6 -8.024 46.629 20.809 1.00 13.13 N ATOM 68 CA HIS A 6 -6.740 46.067 20.418 1.00 31.35 C ATOM 69 C HIS A 6 -7.021 44.848 19.549 1.00 33.12 C ATOM 70 O HIS A 6 -7.569 44.989 18.458 1.00 20.24 O ATOM 71 CB HIS A 6 -5.900 45.686 21.644 1.00 1.34 C ATOM 72 CG HIS A 6 -5.615 46.832 22.568 1.00 25.44 C ATOM 73 ND1 HIS A 6 -5.948 46.820 23.905 1.00 62.11 N ATOM 74 CD2 HIS A 6 -5.023 48.031 22.342 1.00 10.12 C ATOM 75 CE1 HIS A 6 -5.574 47.958 24.461 1.00 51.25 C ATOM 76 NE2 HIS A 6 -5.010 48.709 23.534 1.00 31.03 N ATOM 0 H HIS A 6 -8.604 45.995 21.359 1.00 13.13 H new ATOM 0 HA HIS A 6 -6.161 46.806 19.864 1.00 31.35 H new ATOM 0 HB2 HIS A 6 -6.420 44.905 22.199 1.00 1.34 H new ATOM 0 HB3 HIS A 6 -4.955 45.261 21.306 1.00 1.34 H new ATOM 0 HD2 HIS A 6 -4.634 48.386 21.399 1.00 10.12 H new ATOM 0 HE1 HIS A 6 -5.707 48.228 25.498 1.00 51.25 H new ATOM 0 HE2 HIS A 6 -4.626 49.643 23.680 1.00 31.03 H new ATOM 85 N HIS A 7 -6.669 43.657 20.036 1.00 22.23 N ATOM 86 CA HIS A 7 -7.144 42.409 19.428 1.00 43.33 C ATOM 87 C HIS A 7 -6.643 42.251 17.977 1.00 23.35 C ATOM 88 O HIS A 7 -7.274 41.593 17.155 1.00 34.31 O ATOM 89 CB HIS A 7 -8.689 42.396 19.501 1.00 33.05 C ATOM 90 CG HIS A 7 -9.354 41.132 19.042 1.00 61.42 C ATOM 91 ND1 HIS A 7 -10.090 41.061 17.880 1.00 42.41 N ATOM 92 CD2 HIS A 7 -9.421 39.902 19.602 1.00 63.03 C ATOM 93 CE1 HIS A 7 -10.581 39.845 17.744 1.00 22.10 C ATOM 94 NE2 HIS A 7 -10.189 39.122 18.773 1.00 12.11 N ATOM 0 H HIS A 7 -6.061 43.528 20.845 1.00 22.23 H new ATOM 0 HA HIS A 7 -6.741 41.559 19.978 1.00 43.33 H new ATOM 0 HB2 HIS A 7 -8.987 42.587 20.532 1.00 33.05 H new ATOM 0 HB3 HIS A 7 -9.069 43.223 18.901 1.00 33.05 H new ATOM 0 HD2 HIS A 7 -8.958 39.592 20.527 1.00 63.03 H new ATOM 0 HE1 HIS A 7 -11.199 39.500 16.928 1.00 22.10 H new ATOM 0 HE2 HIS A 7 -10.419 38.141 18.929 1.00 12.11 H new ATOM 103 N HIS A 8 -5.489 42.833 17.668 1.00 2.53 N ATOM 104 CA HIS A 8 -4.937 42.728 16.320 1.00 65.35 C ATOM 105 C HIS A 8 -3.634 41.942 16.309 1.00 1.52 C ATOM 106 O HIS A 8 -2.598 42.440 16.749 1.00 25.05 O ATOM 107 CB HIS A 8 -4.691 44.111 15.708 1.00 55.43 C ATOM 108 CG HIS A 8 -5.926 44.796 15.212 1.00 1.20 C ATOM 109 ND1 HIS A 8 -6.498 44.525 13.988 1.00 51.32 N ATOM 110 CD2 HIS A 8 -6.691 45.753 15.775 1.00 11.02 C ATOM 111 CE1 HIS A 8 -7.561 45.287 13.825 1.00 34.33 C ATOM 112 NE2 HIS A 8 -7.702 46.043 14.894 1.00 43.42 N ATOM 0 H HIS A 8 -4.924 43.375 18.321 1.00 2.53 H new ATOM 0 HA HIS A 8 -5.677 42.197 15.722 1.00 65.35 H new ATOM 0 HB2 HIS A 8 -4.213 44.745 16.454 1.00 55.43 H new ATOM 0 HB3 HIS A 8 -3.989 44.009 14.880 1.00 55.43 H new ATOM 0 HD2 HIS A 8 -6.536 46.208 16.742 1.00 11.02 H new ATOM 0 HE1 HIS A 8 -8.208 45.291 12.960 1.00 34.33 H new ATOM 0 HE2 HIS A 8 -8.441 46.731 15.042 1.00 43.42 H new ATOM 121 N HIS A 9 -3.691 40.708 15.829 1.00 40.43 N ATOM 122 CA HIS A 9 -2.486 39.928 15.574 1.00 34.24 C ATOM 123 C HIS A 9 -2.800 38.786 14.614 1.00 51.21 C ATOM 124 O HIS A 9 -3.741 38.021 14.832 1.00 23.41 O ATOM 125 CB HIS A 9 -1.846 39.393 16.872 1.00 22.42 C ATOM 126 CG HIS A 9 -2.616 38.313 17.583 1.00 41.32 C ATOM 127 ND1 HIS A 9 -2.460 36.967 17.309 1.00 2.52 N ATOM 128 CD2 HIS A 9 -3.523 38.382 18.585 1.00 60.44 C ATOM 129 CE1 HIS A 9 -3.235 36.264 18.110 1.00 51.21 C ATOM 130 NE2 HIS A 9 -3.890 37.097 18.892 1.00 1.31 N ATOM 0 H HIS A 9 -4.561 40.223 15.607 1.00 40.43 H new ATOM 0 HA HIS A 9 -1.754 40.593 15.116 1.00 34.24 H new ATOM 0 HB2 HIS A 9 -0.854 39.010 16.635 1.00 22.42 H new ATOM 0 HB3 HIS A 9 -1.709 40.228 17.559 1.00 22.42 H new ATOM 0 HD2 HIS A 9 -3.890 39.282 19.056 1.00 60.44 H new ATOM 0 HE1 HIS A 9 -3.319 35.187 18.123 1.00 51.21 H new ATOM 0 HE2 HIS A 9 -4.562 36.829 19.611 1.00 1.31 H new ATOM 139 N HIS A 10 -2.034 38.703 13.536 1.00 61.13 N ATOM 140 CA HIS A 10 -2.198 37.639 12.549 1.00 44.13 C ATOM 141 C HIS A 10 -0.924 37.506 11.720 1.00 24.12 C ATOM 142 O HIS A 10 -0.889 37.862 10.542 1.00 4.42 O ATOM 143 CB HIS A 10 -3.412 37.914 11.647 1.00 11.42 C ATOM 144 CG HIS A 10 -3.735 36.810 10.684 1.00 63.14 C ATOM 145 ND1 HIS A 10 -4.249 37.038 9.426 1.00 70.34 N ATOM 146 CD2 HIS A 10 -3.628 35.464 10.804 1.00 24.44 C ATOM 147 CE1 HIS A 10 -4.445 35.886 8.817 1.00 4.33 C ATOM 148 NE2 HIS A 10 -4.077 34.917 9.630 1.00 31.12 N ATOM 0 H HIS A 10 -1.287 39.363 13.319 1.00 61.13 H new ATOM 0 HA HIS A 10 -2.379 36.699 13.070 1.00 44.13 H new ATOM 0 HB2 HIS A 10 -4.283 38.096 12.277 1.00 11.42 H new ATOM 0 HB3 HIS A 10 -3.230 38.829 11.083 1.00 11.42 H new ATOM 0 HD2 HIS A 10 -3.258 34.924 11.663 1.00 24.44 H new ATOM 0 HE1 HIS A 10 -4.840 35.758 7.820 1.00 4.33 H new ATOM 0 HE2 HIS A 10 -4.119 33.920 9.420 1.00 31.12 H new ATOM 157 N SER A 11 0.125 37.014 12.355 1.00 4.21 N ATOM 158 CA SER A 11 1.408 36.839 11.697 1.00 42.44 C ATOM 159 C SER A 11 1.596 35.388 11.264 1.00 2.02 C ATOM 160 O SER A 11 1.893 34.512 12.077 1.00 43.55 O ATOM 161 CB SER A 11 2.538 37.275 12.639 1.00 24.23 C ATOM 162 OG SER A 11 2.366 36.715 13.934 1.00 54.33 O ATOM 0 H SER A 11 0.113 36.726 13.334 1.00 4.21 H new ATOM 0 HA SER A 11 1.435 37.462 10.803 1.00 42.44 H new ATOM 0 HB2 SER A 11 3.499 36.964 12.229 1.00 24.23 H new ATOM 0 HB3 SER A 11 2.559 38.363 12.709 1.00 24.23 H new ATOM 0 HG SER A 11 2.139 35.765 13.852 1.00 54.33 H new ATOM 168 N SER A 12 1.385 35.125 9.983 1.00 33.14 N ATOM 169 CA SER A 12 1.537 33.784 9.446 1.00 45.21 C ATOM 170 C SER A 12 1.916 33.838 7.971 1.00 23.25 C ATOM 171 O SER A 12 1.049 33.817 7.094 1.00 33.23 O ATOM 172 CB SER A 12 0.245 32.983 9.632 1.00 12.24 C ATOM 173 OG SER A 12 -0.120 32.925 11.002 1.00 40.31 O ATOM 0 H SER A 12 1.107 35.826 9.296 1.00 33.14 H new ATOM 0 HA SER A 12 2.338 33.285 9.992 1.00 45.21 H new ATOM 0 HB2 SER A 12 -0.559 33.442 9.056 1.00 12.24 H new ATOM 0 HB3 SER A 12 0.379 31.973 9.244 1.00 12.24 H new ATOM 0 HG SER A 12 -0.948 32.410 11.098 1.00 40.31 H new ATOM 179 N GLY A 13 3.210 33.948 7.704 1.00 53.12 N ATOM 180 CA GLY A 13 3.685 33.989 6.338 1.00 23.30 C ATOM 181 C GLY A 13 4.851 33.052 6.117 1.00 61.24 C ATOM 182 O GLY A 13 5.785 33.373 5.382 1.00 21.11 O ATOM 0 H GLY A 13 3.941 34.010 8.413 1.00 53.12 H new ATOM 0 HA2 GLY A 13 2.872 33.722 5.663 1.00 23.30 H new ATOM 0 HA3 GLY A 13 3.985 35.007 6.089 1.00 23.30 H new ATOM 186 N ARG A 14 4.806 31.894 6.764 1.00 72.33 N ATOM 187 CA ARG A 14 5.861 30.897 6.629 1.00 23.45 C ATOM 188 C ARG A 14 5.416 29.784 5.691 1.00 21.54 C ATOM 189 O ARG A 14 5.752 28.614 5.887 1.00 3.43 O ATOM 190 CB ARG A 14 6.233 30.323 7.998 1.00 32.53 C ATOM 191 CG ARG A 14 6.772 31.369 8.957 1.00 32.23 C ATOM 192 CD ARG A 14 7.275 30.749 10.249 1.00 75.03 C ATOM 193 NE ARG A 14 7.740 31.768 11.184 1.00 13.31 N ATOM 194 CZ ARG A 14 8.913 31.728 11.811 1.00 22.31 C ATOM 195 NH1 ARG A 14 9.723 30.687 11.653 1.00 74.30 N ATOM 196 NH2 ARG A 14 9.269 32.728 12.606 1.00 73.04 N ATOM 0 H ARG A 14 4.048 31.621 7.389 1.00 72.33 H new ATOM 0 HA ARG A 14 6.743 31.379 6.206 1.00 23.45 H new ATOM 0 HB2 ARG A 14 5.354 29.853 8.439 1.00 32.53 H new ATOM 0 HB3 ARG A 14 6.980 29.540 7.866 1.00 32.53 H new ATOM 0 HG2 ARG A 14 7.583 31.917 8.478 1.00 32.23 H new ATOM 0 HG3 ARG A 14 5.988 32.092 9.183 1.00 32.23 H new ATOM 0 HD2 ARG A 14 6.477 30.168 10.710 1.00 75.03 H new ATOM 0 HD3 ARG A 14 8.088 30.057 10.030 1.00 75.03 H new ATOM 0 HE ARG A 14 7.127 32.562 11.369 1.00 13.31 H new ATOM 0 HH11 ARG A 14 9.447 29.913 11.049 1.00 74.30 H new ATOM 0 HH12 ARG A 14 10.621 30.662 12.136 1.00 74.30 H new ATOM 0 HH21 ARG A 14 8.644 33.524 12.735 1.00 73.04 H new ATOM 0 HH22 ARG A 14 10.167 32.701 13.088 1.00 73.04 H new ATOM 210 N GLU A 15 4.664 30.160 4.668 1.00 61.12 N ATOM 211 CA GLU A 15 4.172 29.203 3.692 1.00 53.44 C ATOM 212 C GLU A 15 5.232 28.935 2.626 1.00 13.01 C ATOM 213 O GLU A 15 5.633 29.834 1.878 1.00 70.23 O ATOM 214 CB GLU A 15 2.863 29.704 3.062 1.00 5.51 C ATOM 215 CG GLU A 15 2.961 31.089 2.444 1.00 65.11 C ATOM 216 CD GLU A 15 1.633 31.587 1.915 1.00 4.11 C ATOM 217 OE1 GLU A 15 1.071 30.951 1.002 1.00 35.13 O ATOM 218 OE2 GLU A 15 1.142 32.625 2.409 1.00 1.35 O ATOM 0 H GLU A 15 4.381 31.124 4.493 1.00 61.12 H new ATOM 0 HA GLU A 15 3.961 28.262 4.199 1.00 53.44 H new ATOM 0 HB2 GLU A 15 2.548 28.997 2.294 1.00 5.51 H new ATOM 0 HB3 GLU A 15 2.085 29.713 3.826 1.00 5.51 H new ATOM 0 HG2 GLU A 15 3.336 31.790 3.190 1.00 65.11 H new ATOM 0 HG3 GLU A 15 3.687 31.069 1.631 1.00 65.11 H new ATOM 225 N ASN A 16 5.701 27.699 2.584 1.00 4.22 N ATOM 226 CA ASN A 16 6.714 27.279 1.623 1.00 22.30 C ATOM 227 C ASN A 16 6.872 25.766 1.687 1.00 2.22 C ATOM 228 O ASN A 16 7.713 25.246 2.425 1.00 31.40 O ATOM 229 CB ASN A 16 8.059 27.963 1.902 1.00 62.03 C ATOM 230 CG ASN A 16 9.064 27.789 0.771 1.00 54.53 C ATOM 231 OD1 ASN A 16 9.039 26.799 0.040 1.00 45.21 O ATOM 232 ND2 ASN A 16 9.962 28.752 0.622 1.00 30.43 N ATOM 0 H ASN A 16 5.393 26.958 3.213 1.00 4.22 H new ATOM 0 HA ASN A 16 6.391 27.573 0.624 1.00 22.30 H new ATOM 0 HB2 ASN A 16 7.891 29.027 2.070 1.00 62.03 H new ATOM 0 HB3 ASN A 16 8.482 27.558 2.821 1.00 62.03 H new ATOM 0 HD21 ASN A 16 10.662 28.687 -0.117 1.00 30.43 H new ATOM 0 HD22 ASN A 16 9.953 29.559 1.246 1.00 30.43 H new ATOM 239 N LEU A 17 6.030 25.070 0.940 1.00 43.24 N ATOM 240 CA LEU A 17 6.036 23.617 0.918 1.00 44.23 C ATOM 241 C LEU A 17 5.355 23.144 -0.358 1.00 45.23 C ATOM 242 O LEU A 17 4.136 23.262 -0.501 1.00 63.10 O ATOM 243 CB LEU A 17 5.312 23.066 2.162 1.00 64.31 C ATOM 244 CG LEU A 17 5.677 21.632 2.590 1.00 71.45 C ATOM 245 CD1 LEU A 17 5.255 20.612 1.543 1.00 52.22 C ATOM 246 CD2 LEU A 17 7.170 21.529 2.865 1.00 41.01 C ATOM 0 H LEU A 17 5.327 25.494 0.335 1.00 43.24 H new ATOM 0 HA LEU A 17 7.061 23.248 0.936 1.00 44.23 H new ATOM 0 HB2 LEU A 17 5.515 23.734 2.999 1.00 64.31 H new ATOM 0 HB3 LEU A 17 4.238 23.104 1.977 1.00 64.31 H new ATOM 0 HG LEU A 17 5.132 21.407 3.507 1.00 71.45 H new ATOM 0 HD11 LEU A 17 5.528 19.612 1.879 1.00 52.22 H new ATOM 0 HD12 LEU A 17 4.176 20.664 1.399 1.00 52.22 H new ATOM 0 HD13 LEU A 17 5.758 20.829 0.601 1.00 52.22 H new ATOM 0 HD21 LEU A 17 7.415 20.511 3.167 1.00 41.01 H new ATOM 0 HD22 LEU A 17 7.725 21.783 1.962 1.00 41.01 H new ATOM 0 HD23 LEU A 17 7.441 22.219 3.664 1.00 41.01 H new ATOM 258 N TYR A 18 6.143 22.645 -1.296 1.00 62.41 N ATOM 259 CA TYR A 18 5.607 22.206 -2.574 1.00 62.22 C ATOM 260 C TYR A 18 6.546 21.209 -3.243 1.00 35.35 C ATOM 261 O TYR A 18 7.513 21.594 -3.901 1.00 31.14 O ATOM 262 CB TYR A 18 5.367 23.416 -3.486 1.00 5.14 C ATOM 263 CG TYR A 18 4.713 23.077 -4.808 1.00 44.42 C ATOM 264 CD1 TYR A 18 3.362 22.758 -4.880 1.00 3.45 C ATOM 265 CD2 TYR A 18 5.444 23.094 -5.990 1.00 40.21 C ATOM 266 CE1 TYR A 18 2.763 22.457 -6.086 1.00 13.13 C ATOM 267 CE2 TYR A 18 4.852 22.794 -7.199 1.00 72.43 C ATOM 268 CZ TYR A 18 3.512 22.478 -7.241 1.00 13.45 C ATOM 269 OH TYR A 18 2.920 22.184 -8.446 1.00 4.21 O ATOM 0 H TYR A 18 7.152 22.534 -1.198 1.00 62.41 H new ATOM 0 HA TYR A 18 4.656 21.704 -2.397 1.00 62.22 H new ATOM 0 HB2 TYR A 18 4.742 24.136 -2.958 1.00 5.14 H new ATOM 0 HB3 TYR A 18 6.322 23.905 -3.681 1.00 5.14 H new ATOM 0 HD1 TYR A 18 2.771 22.746 -3.976 1.00 3.45 H new ATOM 0 HD2 TYR A 18 6.494 23.346 -5.961 1.00 40.21 H new ATOM 0 HE1 TYR A 18 1.713 22.206 -6.124 1.00 13.13 H new ATOM 0 HE2 TYR A 18 5.436 22.807 -8.108 1.00 72.43 H new ATOM 0 HH TYR A 18 2.861 22.998 -8.989 1.00 4.21 H new ATOM 279 N PHE A 19 6.275 19.932 -3.041 1.00 72.14 N ATOM 280 CA PHE A 19 7.024 18.878 -3.704 1.00 42.44 C ATOM 281 C PHE A 19 6.263 18.416 -4.935 1.00 24.21 C ATOM 282 O PHE A 19 5.250 17.724 -4.821 1.00 32.34 O ATOM 283 CB PHE A 19 7.261 17.696 -2.760 1.00 52.41 C ATOM 284 CG PHE A 19 8.170 18.014 -1.613 1.00 11.22 C ATOM 285 CD1 PHE A 19 9.539 17.838 -1.731 1.00 4.12 C ATOM 286 CD2 PHE A 19 7.658 18.485 -0.416 1.00 40.22 C ATOM 287 CE1 PHE A 19 10.381 18.122 -0.676 1.00 1.53 C ATOM 288 CE2 PHE A 19 8.495 18.769 0.645 1.00 52.24 C ATOM 289 CZ PHE A 19 9.860 18.590 0.514 1.00 32.04 C ATOM 0 H PHE A 19 5.538 19.598 -2.420 1.00 72.14 H new ATOM 0 HA PHE A 19 7.996 19.274 -4.000 1.00 42.44 H new ATOM 0 HB2 PHE A 19 6.302 17.357 -2.369 1.00 52.41 H new ATOM 0 HB3 PHE A 19 7.684 16.868 -3.328 1.00 52.41 H new ATOM 0 HD1 PHE A 19 9.952 17.474 -2.660 1.00 4.12 H new ATOM 0 HD2 PHE A 19 6.593 18.632 -0.311 1.00 40.22 H new ATOM 0 HE1 PHE A 19 11.446 17.979 -0.781 1.00 1.53 H new ATOM 0 HE2 PHE A 19 8.084 19.130 1.576 1.00 52.24 H new ATOM 0 HZ PHE A 19 10.517 18.816 1.341 1.00 32.04 H new ATOM 299 N GLN A 20 6.734 18.820 -6.104 1.00 71.30 N ATOM 300 CA GLN A 20 6.043 18.521 -7.349 1.00 12.11 C ATOM 301 C GLN A 20 6.533 17.206 -7.940 1.00 31.23 C ATOM 302 O GLN A 20 7.732 16.923 -7.960 1.00 12.30 O ATOM 303 CB GLN A 20 6.235 19.654 -8.359 1.00 22.40 C ATOM 304 CG GLN A 20 5.393 19.501 -9.618 1.00 72.34 C ATOM 305 CD GLN A 20 5.619 20.627 -10.606 1.00 12.42 C ATOM 306 OE1 GLN A 20 6.486 20.539 -11.474 1.00 2.42 O ATOM 307 NE2 GLN A 20 4.842 21.692 -10.487 1.00 2.35 N ATOM 0 H GLN A 20 7.594 19.357 -6.217 1.00 71.30 H new ATOM 0 HA GLN A 20 4.980 18.426 -7.127 1.00 12.11 H new ATOM 0 HB2 GLN A 20 5.988 20.601 -7.880 1.00 22.40 H new ATOM 0 HB3 GLN A 20 7.287 19.704 -8.640 1.00 22.40 H new ATOM 0 HG2 GLN A 20 5.628 18.550 -10.096 1.00 72.34 H new ATOM 0 HG3 GLN A 20 4.338 19.468 -9.344 1.00 72.34 H new ATOM 0 HE21 GLN A 20 4.134 21.727 -9.754 1.00 2.35 H new ATOM 0 HE22 GLN A 20 4.951 22.477 -11.129 1.00 2.35 H new ATOM 316 N GLY A 21 5.591 16.415 -8.417 1.00 43.35 N ATOM 317 CA GLY A 21 5.901 15.139 -9.014 1.00 4.34 C ATOM 318 C GLY A 21 4.634 14.416 -9.396 1.00 62.13 C ATOM 319 O GLY A 21 3.698 15.039 -9.896 1.00 43.45 O ATOM 0 H GLY A 21 4.596 16.641 -8.400 1.00 43.35 H new ATOM 0 HA2 GLY A 21 6.524 15.285 -9.896 1.00 4.34 H new ATOM 0 HA3 GLY A 21 6.476 14.533 -8.314 1.00 4.34 H new ATOM 323 N HIS A 22 4.591 13.116 -9.163 1.00 64.14 N ATOM 324 CA HIS A 22 3.380 12.343 -9.394 1.00 11.24 C ATOM 325 C HIS A 22 3.227 11.271 -8.327 1.00 73.33 C ATOM 326 O HIS A 22 3.962 11.267 -7.338 1.00 44.11 O ATOM 327 CB HIS A 22 3.381 11.717 -10.790 1.00 2.15 C ATOM 328 CG HIS A 22 3.176 12.714 -11.891 1.00 71.55 C ATOM 329 ND1 HIS A 22 2.042 13.490 -12.006 1.00 64.55 N ATOM 330 CD2 HIS A 22 3.978 13.071 -12.918 1.00 71.34 C ATOM 331 CE1 HIS A 22 2.156 14.274 -13.061 1.00 42.25 C ATOM 332 NE2 HIS A 22 3.322 14.040 -13.633 1.00 12.41 N ATOM 0 H HIS A 22 5.380 12.572 -8.814 1.00 64.14 H new ATOM 0 HA HIS A 22 2.529 13.021 -9.334 1.00 11.24 H new ATOM 0 HB2 HIS A 22 4.329 11.202 -10.948 1.00 2.15 H new ATOM 0 HB3 HIS A 22 2.596 10.963 -10.842 1.00 2.15 H new ATOM 0 HD2 HIS A 22 4.956 12.667 -13.136 1.00 71.34 H new ATOM 0 HE1 HIS A 22 1.419 14.987 -13.400 1.00 42.25 H new ATOM 0 HE2 HIS A 22 3.677 14.504 -14.469 1.00 12.41 H new ATOM 341 N LEU A 23 2.276 10.368 -8.535 1.00 13.03 N ATOM 342 CA LEU A 23 1.960 9.335 -7.556 1.00 24.23 C ATOM 343 C LEU A 23 3.177 8.476 -7.236 1.00 43.32 C ATOM 344 O LEU A 23 3.725 7.796 -8.111 1.00 51.24 O ATOM 345 CB LEU A 23 0.819 8.453 -8.065 1.00 13.54 C ATOM 346 CG LEU A 23 -0.522 9.165 -8.244 1.00 22.44 C ATOM 347 CD1 LEU A 23 -1.559 8.206 -8.805 1.00 23.44 C ATOM 348 CD2 LEU A 23 -0.999 9.744 -6.920 1.00 43.44 C ATOM 0 H LEU A 23 1.706 10.331 -9.380 1.00 13.03 H new ATOM 0 HA LEU A 23 1.649 9.834 -6.638 1.00 24.23 H new ATOM 0 HB2 LEU A 23 1.114 8.021 -9.021 1.00 13.54 H new ATOM 0 HB3 LEU A 23 0.683 7.625 -7.369 1.00 13.54 H new ATOM 0 HG LEU A 23 -0.386 9.984 -8.951 1.00 22.44 H new ATOM 0 HD11 LEU A 23 -2.508 8.727 -8.927 1.00 23.44 H new ATOM 0 HD12 LEU A 23 -1.223 7.832 -9.772 1.00 23.44 H new ATOM 0 HD13 LEU A 23 -1.690 7.369 -8.119 1.00 23.44 H new ATOM 0 HD21 LEU A 23 -1.955 10.247 -7.066 1.00 43.44 H new ATOM 0 HD22 LEU A 23 -1.119 8.940 -6.194 1.00 43.44 H new ATOM 0 HD23 LEU A 23 -0.265 10.460 -6.550 1.00 43.44 H new ATOM 360 N ARG A 24 3.602 8.526 -5.984 1.00 52.35 N ATOM 361 CA ARG A 24 4.722 7.724 -5.520 1.00 63.51 C ATOM 362 C ARG A 24 4.216 6.580 -4.659 1.00 35.34 C ATOM 363 O ARG A 24 3.382 6.784 -3.776 1.00 33.32 O ATOM 364 CB ARG A 24 5.704 8.578 -4.718 1.00 71.23 C ATOM 365 CG ARG A 24 6.375 9.669 -5.533 1.00 72.33 C ATOM 366 CD ARG A 24 7.213 9.091 -6.663 1.00 42.23 C ATOM 367 NE ARG A 24 8.186 8.112 -6.178 1.00 42.41 N ATOM 368 CZ ARG A 24 9.449 8.401 -5.867 1.00 0.53 C ATOM 369 NH1 ARG A 24 9.907 9.639 -6.017 1.00 74.04 N ATOM 370 NH2 ARG A 24 10.254 7.442 -5.423 1.00 51.15 N ATOM 0 H ARG A 24 3.184 9.118 -5.266 1.00 52.35 H new ATOM 0 HA ARG A 24 5.242 7.322 -6.390 1.00 63.51 H new ATOM 0 HB2 ARG A 24 5.175 9.035 -3.882 1.00 71.23 H new ATOM 0 HB3 ARG A 24 6.471 7.931 -4.293 1.00 71.23 H new ATOM 0 HG2 ARG A 24 5.616 10.334 -5.946 1.00 72.33 H new ATOM 0 HG3 ARG A 24 7.008 10.272 -4.882 1.00 72.33 H new ATOM 0 HD2 ARG A 24 6.558 8.619 -7.395 1.00 42.23 H new ATOM 0 HD3 ARG A 24 7.736 9.898 -7.176 1.00 42.23 H new ATOM 0 HE ARG A 24 7.878 7.146 -6.071 1.00 42.41 H new ATOM 0 HH11 ARG A 24 9.291 10.371 -6.371 1.00 74.04 H new ATOM 0 HH12 ARG A 24 10.874 9.857 -5.778 1.00 74.04 H new ATOM 0 HH21 ARG A 24 9.904 6.489 -5.321 1.00 51.15 H new ATOM 0 HH22 ARG A 24 11.222 7.659 -5.184 1.00 51.15 H new ATOM 384 N GLU A 25 4.716 5.386 -4.926 1.00 53.25 N ATOM 385 CA GLU A 25 4.308 4.201 -4.187 1.00 33.24 C ATOM 386 C GLU A 25 5.058 4.152 -2.859 1.00 54.51 C ATOM 387 O GLU A 25 6.270 3.953 -2.831 1.00 13.03 O ATOM 388 CB GLU A 25 4.575 2.948 -5.030 1.00 44.31 C ATOM 389 CG GLU A 25 3.933 1.682 -4.491 1.00 74.20 C ATOM 390 CD GLU A 25 3.874 0.580 -5.535 1.00 11.54 C ATOM 391 OE1 GLU A 25 3.002 0.654 -6.431 1.00 4.24 O ATOM 392 OE2 GLU A 25 4.685 -0.364 -5.469 1.00 62.33 O ATOM 0 H GLU A 25 5.409 5.210 -5.653 1.00 53.25 H new ATOM 0 HA GLU A 25 3.239 4.240 -3.975 1.00 33.24 H new ATOM 0 HB2 GLU A 25 4.212 3.122 -6.043 1.00 44.31 H new ATOM 0 HB3 GLU A 25 5.652 2.794 -5.099 1.00 44.31 H new ATOM 0 HG2 GLU A 25 4.496 1.331 -3.626 1.00 74.20 H new ATOM 0 HG3 GLU A 25 2.924 1.907 -4.145 1.00 74.20 H new ATOM 399 N LEU A 26 4.328 4.358 -1.769 1.00 54.15 N ATOM 400 CA LEU A 26 4.935 4.497 -0.451 1.00 55.33 C ATOM 401 C LEU A 26 5.177 3.127 0.178 1.00 51.44 C ATOM 402 O LEU A 26 6.297 2.798 0.576 1.00 40.32 O ATOM 403 CB LEU A 26 4.025 5.341 0.454 1.00 31.22 C ATOM 404 CG LEU A 26 4.737 6.314 1.403 1.00 54.34 C ATOM 405 CD1 LEU A 26 5.647 5.580 2.374 1.00 23.44 C ATOM 406 CD2 LEU A 26 5.523 7.344 0.607 1.00 33.41 C ATOM 0 H LEU A 26 3.311 4.433 -1.773 1.00 54.15 H new ATOM 0 HA LEU A 26 5.897 4.998 -0.561 1.00 55.33 H new ATOM 0 HB2 LEU A 26 3.346 5.913 -0.179 1.00 31.22 H new ATOM 0 HB3 LEU A 26 3.412 4.666 1.051 1.00 31.22 H new ATOM 0 HG LEU A 26 3.976 6.828 1.991 1.00 54.34 H new ATOM 0 HD11 LEU A 26 6.135 6.300 3.031 1.00 23.44 H new ATOM 0 HD12 LEU A 26 5.057 4.886 2.972 1.00 23.44 H new ATOM 0 HD13 LEU A 26 6.403 5.027 1.817 1.00 23.44 H new ATOM 0 HD21 LEU A 26 6.024 8.028 1.292 1.00 33.41 H new ATOM 0 HD22 LEU A 26 6.267 6.838 -0.008 1.00 33.41 H new ATOM 0 HD23 LEU A 26 4.843 7.905 -0.034 1.00 33.41 H new ATOM 418 N LEU A 27 4.122 2.333 0.270 1.00 54.51 N ATOM 419 CA LEU A 27 4.219 1.014 0.868 1.00 23.42 C ATOM 420 C LEU A 27 3.344 0.025 0.127 1.00 65.31 C ATOM 421 O LEU A 27 2.345 0.403 -0.488 1.00 72.33 O ATOM 422 CB LEU A 27 3.821 1.036 2.350 1.00 42.51 C ATOM 423 CG LEU A 27 2.388 1.481 2.652 1.00 11.11 C ATOM 424 CD1 LEU A 27 1.895 0.827 3.929 1.00 62.21 C ATOM 425 CD2 LEU A 27 2.314 2.991 2.791 1.00 2.35 C ATOM 0 H LEU A 27 3.190 2.580 -0.062 1.00 54.51 H new ATOM 0 HA LEU A 27 5.261 0.703 0.794 1.00 23.42 H new ATOM 0 HB2 LEU A 27 3.964 0.036 2.759 1.00 42.51 H new ATOM 0 HB3 LEU A 27 4.506 1.698 2.880 1.00 42.51 H new ATOM 0 HG LEU A 27 1.753 1.173 1.821 1.00 11.11 H new ATOM 0 HD11 LEU A 27 0.875 1.151 4.133 1.00 62.21 H new ATOM 0 HD12 LEU A 27 1.915 -0.257 3.814 1.00 62.21 H new ATOM 0 HD13 LEU A 27 2.540 1.116 4.758 1.00 62.21 H new ATOM 0 HD21 LEU A 27 1.287 3.287 3.005 1.00 2.35 H new ATOM 0 HD22 LEU A 27 2.962 3.314 3.606 1.00 2.35 H new ATOM 0 HD23 LEU A 27 2.640 3.458 1.862 1.00 2.35 H new ATOM 437 N ARG A 28 3.728 -1.237 0.203 1.00 41.51 N ATOM 438 CA ARG A 28 3.020 -2.314 -0.469 1.00 52.54 C ATOM 439 C ARG A 28 2.970 -3.524 0.449 1.00 64.24 C ATOM 440 O ARG A 28 3.991 -3.918 1.008 1.00 23.52 O ATOM 441 CB ARG A 28 3.734 -2.651 -1.792 1.00 25.42 C ATOM 442 CG ARG A 28 3.151 -3.828 -2.576 1.00 63.14 C ATOM 443 CD ARG A 28 3.682 -5.168 -2.083 1.00 2.01 C ATOM 444 NE ARG A 28 5.146 -5.235 -2.128 1.00 71.32 N ATOM 445 CZ ARG A 28 5.898 -5.769 -1.162 1.00 64.33 C ATOM 446 NH1 ARG A 28 5.328 -6.279 -0.078 1.00 63.20 N ATOM 447 NH2 ARG A 28 7.220 -5.797 -1.284 1.00 53.25 N ATOM 0 H ARG A 28 4.542 -1.545 0.734 1.00 41.51 H new ATOM 0 HA ARG A 28 1.999 -2.009 -0.700 1.00 52.54 H new ATOM 0 HB2 ARG A 28 3.715 -1.767 -2.430 1.00 25.42 H new ATOM 0 HB3 ARG A 28 4.781 -2.865 -1.575 1.00 25.42 H new ATOM 0 HG2 ARG A 28 2.064 -3.816 -2.491 1.00 63.14 H new ATOM 0 HG3 ARG A 28 3.389 -3.712 -3.633 1.00 63.14 H new ATOM 0 HD2 ARG A 28 3.344 -5.337 -1.061 1.00 2.01 H new ATOM 0 HD3 ARG A 28 3.265 -5.969 -2.693 1.00 2.01 H new ATOM 0 HE ARG A 28 5.619 -4.851 -2.946 1.00 71.32 H new ATOM 0 HH11 ARG A 28 4.313 -6.264 0.019 1.00 63.20 H new ATOM 0 HH12 ARG A 28 5.905 -6.686 0.658 1.00 63.20 H new ATOM 0 HH21 ARG A 28 7.664 -5.410 -2.117 1.00 53.25 H new ATOM 0 HH22 ARG A 28 7.792 -6.205 -0.545 1.00 53.25 H new ATOM 461 N THR A 29 1.790 -4.102 0.617 1.00 0.03 N ATOM 462 CA THR A 29 1.641 -5.283 1.448 1.00 60.44 C ATOM 463 C THR A 29 0.273 -5.919 1.216 1.00 31.42 C ATOM 464 O THR A 29 -0.551 -5.387 0.465 1.00 24.24 O ATOM 465 CB THR A 29 1.828 -4.946 2.947 1.00 44.44 C ATOM 466 OG1 THR A 29 1.970 -6.149 3.711 1.00 53.02 O ATOM 467 CG2 THR A 29 0.658 -4.136 3.492 1.00 24.45 C ATOM 0 H THR A 29 0.925 -3.772 0.189 1.00 0.03 H new ATOM 0 HA THR A 29 2.418 -5.993 1.166 1.00 60.44 H new ATOM 0 HB THR A 29 2.732 -4.343 3.036 1.00 44.44 H new ATOM 0 HG1 THR A 29 2.921 -6.332 3.860 1.00 53.02 H new ATOM 0 HG21 THR A 29 0.826 -3.919 4.547 1.00 24.45 H new ATOM 0 HG22 THR A 29 0.573 -3.201 2.938 1.00 24.45 H new ATOM 0 HG23 THR A 29 -0.263 -4.708 3.381 1.00 24.45 H new ATOM 475 N ASN A 30 0.041 -7.060 1.845 1.00 64.32 N ATOM 476 CA ASN A 30 -1.222 -7.771 1.701 1.00 5.14 C ATOM 477 C ASN A 30 -1.908 -7.901 3.051 1.00 22.32 C ATOM 478 O ASN A 30 -2.958 -8.532 3.168 1.00 43.11 O ATOM 479 CB ASN A 30 -1.002 -9.164 1.097 1.00 1.35 C ATOM 480 CG ASN A 30 -0.353 -9.132 -0.278 1.00 40.34 C ATOM 481 OD1 ASN A 30 0.369 -10.053 -0.655 1.00 51.00 O ATOM 482 ND2 ASN A 30 -0.602 -8.075 -1.036 1.00 12.12 N ATOM 0 H ASN A 30 0.713 -7.516 2.463 1.00 64.32 H new ATOM 0 HA ASN A 30 -1.857 -7.197 1.027 1.00 5.14 H new ATOM 0 HB2 ASN A 30 -0.377 -9.750 1.772 1.00 1.35 H new ATOM 0 HB3 ASN A 30 -1.961 -9.676 1.026 1.00 1.35 H new ATOM 0 HD21 ASN A 30 -0.189 -8.006 -1.966 1.00 12.12 H new ATOM 0 HD22 ASN A 30 -1.206 -7.330 -0.690 1.00 12.12 H new ATOM 489 N ASP A 31 -1.312 -7.297 4.073 1.00 1.51 N ATOM 490 CA ASP A 31 -1.856 -7.380 5.420 1.00 50.43 C ATOM 491 C ASP A 31 -2.911 -6.301 5.633 1.00 50.03 C ATOM 492 O ASP A 31 -2.593 -5.112 5.730 1.00 54.13 O ATOM 493 CB ASP A 31 -0.750 -7.248 6.467 1.00 53.22 C ATOM 494 CG ASP A 31 -1.227 -7.615 7.859 1.00 51.05 C ATOM 495 OD1 ASP A 31 -1.193 -8.819 8.201 1.00 3.14 O ATOM 496 OD2 ASP A 31 -1.636 -6.707 8.614 1.00 22.10 O ATOM 0 H ASP A 31 -0.456 -6.748 3.994 1.00 1.51 H new ATOM 0 HA ASP A 31 -2.322 -8.359 5.536 1.00 50.43 H new ATOM 0 HB2 ASP A 31 0.087 -7.890 6.191 1.00 53.22 H new ATOM 0 HB3 ASP A 31 -0.378 -6.224 6.471 1.00 53.22 H new ATOM 501 N ALA A 32 -4.169 -6.728 5.696 1.00 75.43 N ATOM 502 CA ALA A 32 -5.295 -5.811 5.821 1.00 41.14 C ATOM 503 C ALA A 32 -5.230 -5.021 7.120 1.00 1.13 C ATOM 504 O ALA A 32 -5.589 -3.843 7.155 1.00 65.20 O ATOM 505 CB ALA A 32 -6.607 -6.577 5.738 1.00 53.33 C ATOM 0 H ALA A 32 -4.434 -7.712 5.662 1.00 75.43 H new ATOM 0 HA ALA A 32 -5.241 -5.101 4.996 1.00 41.14 H new ATOM 0 HB1 ALA A 32 -7.441 -5.882 5.833 1.00 53.33 H new ATOM 0 HB2 ALA A 32 -6.669 -7.089 4.778 1.00 53.33 H new ATOM 0 HB3 ALA A 32 -6.652 -7.310 6.544 1.00 53.33 H new ATOM 511 N VAL A 33 -4.758 -5.664 8.183 1.00 65.13 N ATOM 512 CA VAL A 33 -4.681 -5.024 9.490 1.00 25.53 C ATOM 513 C VAL A 33 -3.746 -3.819 9.439 1.00 3.20 C ATOM 514 O VAL A 33 -4.122 -2.707 9.825 1.00 50.50 O ATOM 515 CB VAL A 33 -4.191 -6.009 10.576 1.00 12.52 C ATOM 516 CG1 VAL A 33 -4.171 -5.344 11.946 1.00 50.40 C ATOM 517 CG2 VAL A 33 -5.057 -7.264 10.595 1.00 20.33 C ATOM 0 H VAL A 33 -4.423 -6.627 8.164 1.00 65.13 H new ATOM 0 HA VAL A 33 -5.687 -4.695 9.751 1.00 25.53 H new ATOM 0 HB VAL A 33 -3.170 -6.303 10.331 1.00 12.52 H new ATOM 0 HG11 VAL A 33 -3.823 -6.058 12.692 1.00 50.40 H new ATOM 0 HG12 VAL A 33 -3.500 -4.486 11.924 1.00 50.40 H new ATOM 0 HG13 VAL A 33 -5.177 -5.012 12.204 1.00 50.40 H new ATOM 0 HG21 VAL A 33 -4.695 -7.944 11.366 1.00 20.33 H new ATOM 0 HG22 VAL A 33 -6.090 -6.990 10.808 1.00 20.33 H new ATOM 0 HG23 VAL A 33 -5.005 -7.756 9.624 1.00 20.33 H new ATOM 527 N LEU A 34 -2.537 -4.041 8.934 1.00 34.24 N ATOM 528 CA LEU A 34 -1.540 -2.984 8.839 1.00 72.22 C ATOM 529 C LEU A 34 -2.000 -1.887 7.880 1.00 14.21 C ATOM 530 O LEU A 34 -1.851 -0.699 8.169 1.00 25.40 O ATOM 531 CB LEU A 34 -0.197 -3.557 8.380 1.00 24.03 C ATOM 532 CG LEU A 34 0.978 -2.584 8.443 1.00 61.11 C ATOM 533 CD1 LEU A 34 1.217 -2.127 9.876 1.00 2.24 C ATOM 534 CD2 LEU A 34 2.229 -3.225 7.873 1.00 3.43 C ATOM 0 H LEU A 34 -2.225 -4.947 8.584 1.00 34.24 H new ATOM 0 HA LEU A 34 -1.416 -2.545 9.829 1.00 72.22 H new ATOM 0 HB2 LEU A 34 0.038 -4.427 8.994 1.00 24.03 H new ATOM 0 HB3 LEU A 34 -0.302 -3.910 7.354 1.00 24.03 H new ATOM 0 HG LEU A 34 0.734 -1.709 7.840 1.00 61.11 H new ATOM 0 HD11 LEU A 34 2.058 -1.434 9.901 1.00 2.24 H new ATOM 0 HD12 LEU A 34 0.324 -1.628 10.252 1.00 2.24 H new ATOM 0 HD13 LEU A 34 1.440 -2.992 10.501 1.00 2.24 H new ATOM 0 HD21 LEU A 34 3.057 -2.518 7.926 1.00 3.43 H new ATOM 0 HD22 LEU A 34 2.476 -4.116 8.450 1.00 3.43 H new ATOM 0 HD23 LEU A 34 2.054 -3.502 6.833 1.00 3.43 H new ATOM 546 N LEU A 35 -2.579 -2.288 6.748 1.00 42.55 N ATOM 547 CA LEU A 35 -3.085 -1.331 5.761 1.00 4.52 C ATOM 548 C LEU A 35 -4.150 -0.422 6.369 1.00 43.32 C ATOM 549 O LEU A 35 -4.195 0.774 6.083 1.00 60.20 O ATOM 550 CB LEU A 35 -3.662 -2.065 4.545 1.00 11.10 C ATOM 551 CG LEU A 35 -2.626 -2.671 3.597 1.00 43.14 C ATOM 552 CD1 LEU A 35 -3.312 -3.508 2.530 1.00 3.24 C ATOM 553 CD2 LEU A 35 -1.790 -1.574 2.951 1.00 11.34 C ATOM 0 H LEU A 35 -2.710 -3.266 6.491 1.00 42.55 H new ATOM 0 HA LEU A 35 -2.246 -0.713 5.440 1.00 4.52 H new ATOM 0 HB2 LEU A 35 -4.317 -2.861 4.899 1.00 11.10 H new ATOM 0 HB3 LEU A 35 -4.283 -1.369 3.981 1.00 11.10 H new ATOM 0 HG LEU A 35 -1.964 -3.316 4.175 1.00 43.14 H new ATOM 0 HD11 LEU A 35 -2.562 -3.933 1.863 1.00 3.24 H new ATOM 0 HD12 LEU A 35 -3.873 -4.313 3.004 1.00 3.24 H new ATOM 0 HD13 LEU A 35 -3.993 -2.879 1.957 1.00 3.24 H new ATOM 0 HD21 LEU A 35 -1.058 -2.022 2.279 1.00 11.34 H new ATOM 0 HD22 LEU A 35 -2.440 -0.906 2.385 1.00 11.34 H new ATOM 0 HD23 LEU A 35 -1.273 -1.007 3.725 1.00 11.34 H new ATOM 565 N SER A 36 -4.999 -0.992 7.214 1.00 33.23 N ATOM 566 CA SER A 36 -6.051 -0.226 7.871 1.00 21.12 C ATOM 567 C SER A 36 -5.448 0.791 8.837 1.00 35.53 C ATOM 568 O SER A 36 -5.920 1.924 8.939 1.00 41.00 O ATOM 569 CB SER A 36 -7.008 -1.166 8.609 1.00 51.43 C ATOM 570 OG SER A 36 -7.525 -2.150 7.726 1.00 74.20 O ATOM 0 H SER A 36 -4.980 -1.982 7.461 1.00 33.23 H new ATOM 0 HA SER A 36 -6.614 0.316 7.111 1.00 21.12 H new ATOM 0 HB2 SER A 36 -6.486 -1.649 9.435 1.00 51.43 H new ATOM 0 HB3 SER A 36 -7.827 -0.592 9.042 1.00 51.43 H new ATOM 0 HG SER A 36 -6.901 -2.904 7.675 1.00 74.20 H new ATOM 576 N ALA A 37 -4.388 0.387 9.529 1.00 11.42 N ATOM 577 CA ALA A 37 -3.697 1.277 10.448 1.00 42.21 C ATOM 578 C ALA A 37 -3.053 2.428 9.685 1.00 1.42 C ATOM 579 O ALA A 37 -3.189 3.587 10.070 1.00 32.14 O ATOM 580 CB ALA A 37 -2.647 0.514 11.242 1.00 60.22 C ATOM 0 H ALA A 37 -3.991 -0.551 9.469 1.00 11.42 H new ATOM 0 HA ALA A 37 -4.426 1.687 11.147 1.00 42.21 H new ATOM 0 HB1 ALA A 37 -2.140 1.196 11.924 1.00 60.22 H new ATOM 0 HB2 ALA A 37 -3.128 -0.280 11.813 1.00 60.22 H new ATOM 0 HB3 ALA A 37 -1.919 0.078 10.558 1.00 60.22 H new ATOM 586 N VAL A 38 -2.369 2.097 8.593 1.00 23.20 N ATOM 587 CA VAL A 38 -1.728 3.097 7.746 1.00 65.42 C ATOM 588 C VAL A 38 -2.757 4.081 7.198 1.00 62.42 C ATOM 589 O VAL A 38 -2.527 5.292 7.189 1.00 50.21 O ATOM 590 CB VAL A 38 -0.971 2.437 6.573 1.00 4.04 C ATOM 591 CG1 VAL A 38 -0.389 3.485 5.639 1.00 21.04 C ATOM 592 CG2 VAL A 38 0.129 1.530 7.097 1.00 3.34 C ATOM 0 H VAL A 38 -2.244 1.137 8.273 1.00 23.20 H new ATOM 0 HA VAL A 38 -1.010 3.635 8.365 1.00 65.42 H new ATOM 0 HB VAL A 38 -1.683 1.837 6.007 1.00 4.04 H new ATOM 0 HG11 VAL A 38 0.138 2.992 4.822 1.00 21.04 H new ATOM 0 HG12 VAL A 38 -1.194 4.098 5.233 1.00 21.04 H new ATOM 0 HG13 VAL A 38 0.306 4.118 6.190 1.00 21.04 H new ATOM 0 HG21 VAL A 38 0.653 1.072 6.258 1.00 3.34 H new ATOM 0 HG22 VAL A 38 0.832 2.116 7.689 1.00 3.34 H new ATOM 0 HG23 VAL A 38 -0.308 0.750 7.721 1.00 3.34 H new ATOM 602 N GLY A 39 -3.891 3.552 6.752 1.00 24.01 N ATOM 603 CA GLY A 39 -4.958 4.392 6.247 1.00 44.40 C ATOM 604 C GLY A 39 -5.446 5.375 7.291 1.00 74.22 C ATOM 605 O GLY A 39 -5.643 6.552 6.997 1.00 61.22 O ATOM 0 H GLY A 39 -4.090 2.552 6.732 1.00 24.01 H new ATOM 0 HA2 GLY A 39 -4.607 4.937 5.371 1.00 44.40 H new ATOM 0 HA3 GLY A 39 -5.789 3.766 5.921 1.00 44.40 H new ATOM 609 N ALA A 40 -5.618 4.891 8.519 1.00 50.43 N ATOM 610 CA ALA A 40 -6.062 5.730 9.627 1.00 41.14 C ATOM 611 C ALA A 40 -5.014 6.791 9.961 1.00 33.01 C ATOM 612 O ALA A 40 -5.353 7.919 10.319 1.00 12.05 O ATOM 613 CB ALA A 40 -6.363 4.874 10.849 1.00 50.33 C ATOM 0 H ALA A 40 -5.455 3.916 8.772 1.00 50.43 H new ATOM 0 HA ALA A 40 -6.976 6.241 9.325 1.00 41.14 H new ATOM 0 HB1 ALA A 40 -6.693 5.513 11.668 1.00 50.33 H new ATOM 0 HB2 ALA A 40 -7.149 4.158 10.607 1.00 50.33 H new ATOM 0 HB3 ALA A 40 -5.463 4.337 11.148 1.00 50.33 H new ATOM 619 N LEU A 41 -3.744 6.424 9.843 1.00 10.22 N ATOM 620 CA LEU A 41 -2.646 7.350 10.097 1.00 33.42 C ATOM 621 C LEU A 41 -2.651 8.473 9.070 1.00 13.45 C ATOM 622 O LEU A 41 -2.653 9.654 9.421 1.00 23.35 O ATOM 623 CB LEU A 41 -1.300 6.618 10.041 1.00 11.24 C ATOM 624 CG LEU A 41 -1.099 5.516 11.081 1.00 4.11 C ATOM 625 CD1 LEU A 41 0.207 4.777 10.824 1.00 63.52 C ATOM 626 CD2 LEU A 41 -1.120 6.097 12.488 1.00 55.32 C ATOM 0 H LEU A 41 -3.447 5.487 9.572 1.00 10.22 H new ATOM 0 HA LEU A 41 -2.783 7.771 11.093 1.00 33.42 H new ATOM 0 HB2 LEU A 41 -1.187 6.181 9.049 1.00 11.24 H new ATOM 0 HB3 LEU A 41 -0.503 7.352 10.159 1.00 11.24 H new ATOM 0 HG LEU A 41 -1.920 4.805 10.995 1.00 4.11 H new ATOM 0 HD11 LEU A 41 0.336 3.995 11.573 1.00 63.52 H new ATOM 0 HD12 LEU A 41 0.182 4.328 9.831 1.00 63.52 H new ATOM 0 HD13 LEU A 41 1.040 5.478 10.884 1.00 63.52 H new ATOM 0 HD21 LEU A 41 -0.975 5.297 13.214 1.00 55.32 H new ATOM 0 HD22 LEU A 41 -0.320 6.830 12.591 1.00 55.32 H new ATOM 0 HD23 LEU A 41 -2.080 6.581 12.668 1.00 55.32 H new ATOM 638 N LEU A 42 -2.679 8.093 7.798 1.00 42.43 N ATOM 639 CA LEU A 42 -2.661 9.059 6.711 1.00 14.30 C ATOM 640 C LEU A 42 -3.917 9.917 6.728 1.00 1.23 C ATOM 641 O LEU A 42 -3.869 11.111 6.434 1.00 35.13 O ATOM 642 CB LEU A 42 -2.522 8.342 5.367 1.00 14.44 C ATOM 643 CG LEU A 42 -1.237 7.536 5.198 1.00 23.21 C ATOM 644 CD1 LEU A 42 -1.219 6.842 3.851 1.00 75.24 C ATOM 645 CD2 LEU A 42 -0.022 8.434 5.352 1.00 74.01 C ATOM 0 H LEU A 42 -2.714 7.120 7.496 1.00 42.43 H new ATOM 0 HA LEU A 42 -1.801 9.714 6.849 1.00 14.30 H new ATOM 0 HB2 LEU A 42 -3.373 7.673 5.239 1.00 14.44 H new ATOM 0 HB3 LEU A 42 -2.576 9.083 4.569 1.00 14.44 H new ATOM 0 HG LEU A 42 -1.202 6.775 5.977 1.00 23.21 H new ATOM 0 HD11 LEU A 42 -0.296 6.272 3.748 1.00 75.24 H new ATOM 0 HD12 LEU A 42 -2.072 6.167 3.778 1.00 75.24 H new ATOM 0 HD13 LEU A 42 -1.276 7.587 3.057 1.00 75.24 H new ATOM 0 HD21 LEU A 42 0.885 7.843 5.229 1.00 74.01 H new ATOM 0 HD22 LEU A 42 -0.050 9.218 4.595 1.00 74.01 H new ATOM 0 HD23 LEU A 42 -0.028 8.887 6.343 1.00 74.01 H new ATOM 657 N ASP A 43 -5.038 9.301 7.079 1.00 72.11 N ATOM 658 CA ASP A 43 -6.304 10.015 7.207 1.00 31.51 C ATOM 659 C ASP A 43 -6.229 11.025 8.347 1.00 40.11 C ATOM 660 O ASP A 43 -6.709 12.153 8.227 1.00 44.04 O ATOM 661 CB ASP A 43 -7.446 9.024 7.457 1.00 34.32 C ATOM 662 CG ASP A 43 -8.789 9.703 7.637 1.00 61.02 C ATOM 663 OD1 ASP A 43 -9.132 10.050 8.784 1.00 33.21 O ATOM 664 OD2 ASP A 43 -9.518 9.865 6.635 1.00 65.31 O ATOM 0 H ASP A 43 -5.097 8.303 7.281 1.00 72.11 H new ATOM 0 HA ASP A 43 -6.498 10.550 6.277 1.00 31.51 H new ATOM 0 HB2 ASP A 43 -7.506 8.328 6.620 1.00 34.32 H new ATOM 0 HB3 ASP A 43 -7.221 8.435 8.346 1.00 34.32 H new ATOM 669 N GLY A 44 -5.587 10.619 9.439 1.00 73.35 N ATOM 670 CA GLY A 44 -5.443 11.491 10.592 1.00 64.01 C ATOM 671 C GLY A 44 -4.524 12.670 10.329 1.00 73.32 C ATOM 672 O GLY A 44 -4.582 13.680 11.031 1.00 63.53 O ATOM 0 H GLY A 44 -5.162 9.698 9.546 1.00 73.35 H new ATOM 0 HA2 GLY A 44 -6.425 11.861 10.887 1.00 64.01 H new ATOM 0 HA3 GLY A 44 -5.055 10.914 11.431 1.00 64.01 H new ATOM 676 N ALA A 45 -3.665 12.538 9.331 1.00 52.44 N ATOM 677 CA ALA A 45 -2.784 13.630 8.932 1.00 65.43 C ATOM 678 C ALA A 45 -3.324 14.317 7.683 1.00 4.43 C ATOM 679 O ALA A 45 -2.718 15.257 7.164 1.00 21.13 O ATOM 680 CB ALA A 45 -1.375 13.112 8.694 1.00 5.11 C ATOM 0 H ALA A 45 -3.557 11.686 8.781 1.00 52.44 H new ATOM 0 HA ALA A 45 -2.748 14.363 9.738 1.00 65.43 H new ATOM 0 HB1 ALA A 45 -0.729 13.938 8.397 1.00 5.11 H new ATOM 0 HB2 ALA A 45 -0.992 12.664 9.611 1.00 5.11 H new ATOM 0 HB3 ALA A 45 -1.392 12.362 7.903 1.00 5.11 H new ATOM 686 N ASP A 46 -4.468 13.821 7.210 1.00 12.44 N ATOM 687 CA ASP A 46 -5.159 14.365 6.037 1.00 5.23 C ATOM 688 C ASP A 46 -4.270 14.304 4.791 1.00 41.43 C ATOM 689 O ASP A 46 -4.398 15.112 3.872 1.00 41.20 O ATOM 690 CB ASP A 46 -5.619 15.804 6.302 1.00 63.45 C ATOM 691 CG ASP A 46 -6.669 16.268 5.311 1.00 31.34 C ATOM 692 OD1 ASP A 46 -7.755 15.649 5.263 1.00 74.22 O ATOM 693 OD2 ASP A 46 -6.419 17.243 4.579 1.00 40.54 O ATOM 0 H ASP A 46 -4.946 13.025 7.632 1.00 12.44 H new ATOM 0 HA ASP A 46 -6.038 13.748 5.850 1.00 5.23 H new ATOM 0 HB2 ASP A 46 -6.022 15.873 7.313 1.00 63.45 H new ATOM 0 HB3 ASP A 46 -4.759 16.472 6.255 1.00 63.45 H new ATOM 698 N ILE A 47 -3.393 13.311 4.752 1.00 33.11 N ATOM 699 CA ILE A 47 -2.490 13.133 3.628 1.00 72.32 C ATOM 700 C ILE A 47 -3.218 12.458 2.471 1.00 34.21 C ATOM 701 O ILE A 47 -3.652 11.305 2.591 1.00 71.11 O ATOM 702 CB ILE A 47 -1.257 12.290 4.020 1.00 61.14 C ATOM 703 CG1 ILE A 47 -0.486 12.973 5.154 1.00 55.41 C ATOM 704 CG2 ILE A 47 -0.349 12.068 2.815 1.00 65.23 C ATOM 705 CD1 ILE A 47 0.735 12.205 5.624 1.00 53.11 C ATOM 0 H ILE A 47 -3.289 12.615 5.490 1.00 33.11 H new ATOM 0 HA ILE A 47 -2.147 14.121 3.321 1.00 72.32 H new ATOM 0 HB ILE A 47 -1.602 11.317 4.369 1.00 61.14 H new ATOM 0 HG12 ILE A 47 -0.173 13.963 4.821 1.00 55.41 H new ATOM 0 HG13 ILE A 47 -1.158 13.118 6.000 1.00 55.41 H new ATOM 0 HG21 ILE A 47 0.513 11.472 3.114 1.00 65.23 H new ATOM 0 HG22 ILE A 47 -0.901 11.543 2.036 1.00 65.23 H new ATOM 0 HG23 ILE A 47 -0.010 13.031 2.433 1.00 65.23 H new ATOM 0 HD11 ILE A 47 1.224 12.756 6.428 1.00 53.11 H new ATOM 0 HD12 ILE A 47 0.430 11.225 5.990 1.00 53.11 H new ATOM 0 HD13 ILE A 47 1.430 12.082 4.793 1.00 53.11 H new ATOM 717 N GLY A 48 -3.365 13.186 1.370 1.00 60.40 N ATOM 718 CA GLY A 48 -4.012 12.651 0.184 1.00 0.20 C ATOM 719 C GLY A 48 -3.320 11.408 -0.333 1.00 32.42 C ATOM 720 O GLY A 48 -2.197 11.477 -0.838 1.00 3.12 O ATOM 0 H GLY A 48 -3.043 14.149 1.277 1.00 60.40 H new ATOM 0 HA2 GLY A 48 -5.052 12.417 0.413 1.00 0.20 H new ATOM 0 HA3 GLY A 48 -4.021 13.411 -0.597 1.00 0.20 H new ATOM 724 N HIS A 49 -3.985 10.272 -0.208 1.00 1.44 N ATOM 725 CA HIS A 49 -3.394 8.999 -0.585 1.00 12.24 C ATOM 726 C HIS A 49 -4.348 8.198 -1.462 1.00 2.53 C ATOM 727 O HIS A 49 -5.548 8.149 -1.202 1.00 10.14 O ATOM 728 CB HIS A 49 -3.013 8.194 0.667 1.00 45.41 C ATOM 729 CG HIS A 49 -4.168 7.854 1.562 1.00 54.14 C ATOM 730 ND1 HIS A 49 -4.742 8.758 2.434 1.00 73.12 N ATOM 731 CD2 HIS A 49 -4.849 6.695 1.726 1.00 33.41 C ATOM 732 CE1 HIS A 49 -5.726 8.169 3.090 1.00 23.43 C ATOM 733 NE2 HIS A 49 -5.808 6.919 2.679 1.00 43.55 N ATOM 0 H HIS A 49 -4.937 10.205 0.153 1.00 1.44 H new ATOM 0 HA HIS A 49 -2.490 9.199 -1.160 1.00 12.24 H new ATOM 0 HB2 HIS A 49 -2.527 7.270 0.355 1.00 45.41 H new ATOM 0 HB3 HIS A 49 -2.280 8.762 1.240 1.00 45.41 H new ATOM 0 HD1 HIS A 49 -4.452 9.729 2.553 1.00 73.12 H new ATOM 0 HD2 HIS A 49 -4.670 5.767 1.203 1.00 33.41 H new ATOM 0 HE1 HIS A 49 -6.355 8.632 3.835 1.00 23.43 H new ATOM 742 N LEU A 50 -3.807 7.581 -2.498 1.00 53.54 N ATOM 743 CA LEU A 50 -4.592 6.746 -3.392 1.00 61.24 C ATOM 744 C LEU A 50 -4.162 5.292 -3.245 1.00 4.55 C ATOM 745 O LEU A 50 -2.991 5.010 -2.990 1.00 53.41 O ATOM 746 CB LEU A 50 -4.416 7.206 -4.843 1.00 73.54 C ATOM 747 CG LEU A 50 -4.940 8.612 -5.145 1.00 12.11 C ATOM 748 CD1 LEU A 50 -4.682 8.983 -6.595 1.00 10.44 C ATOM 749 CD2 LEU A 50 -6.426 8.703 -4.831 1.00 3.31 C ATOM 0 H LEU A 50 -2.819 7.643 -2.743 1.00 53.54 H new ATOM 0 HA LEU A 50 -5.646 6.836 -3.127 1.00 61.24 H new ATOM 0 HB2 LEU A 50 -3.356 7.168 -5.094 1.00 73.54 H new ATOM 0 HB3 LEU A 50 -4.924 6.497 -5.497 1.00 73.54 H new ATOM 0 HG LEU A 50 -4.406 9.319 -4.511 1.00 12.11 H new ATOM 0 HD11 LEU A 50 -5.063 9.986 -6.787 1.00 10.44 H new ATOM 0 HD12 LEU A 50 -3.610 8.958 -6.792 1.00 10.44 H new ATOM 0 HD13 LEU A 50 -5.188 8.272 -7.248 1.00 10.44 H new ATOM 0 HD21 LEU A 50 -6.783 9.709 -5.051 1.00 3.31 H new ATOM 0 HD22 LEU A 50 -6.971 7.983 -5.441 1.00 3.31 H new ATOM 0 HD23 LEU A 50 -6.589 8.483 -3.776 1.00 3.31 H new ATOM 761 N VAL A 51 -5.108 4.378 -3.398 1.00 23.44 N ATOM 762 CA VAL A 51 -4.846 2.957 -3.209 1.00 41.43 C ATOM 763 C VAL A 51 -5.580 2.136 -4.261 1.00 40.12 C ATOM 764 O VAL A 51 -6.024 2.674 -5.276 1.00 70.14 O ATOM 765 CB VAL A 51 -5.288 2.480 -1.804 1.00 43.31 C ATOM 766 CG1 VAL A 51 -4.396 3.066 -0.722 1.00 72.15 C ATOM 767 CG2 VAL A 51 -6.743 2.842 -1.544 1.00 74.11 C ATOM 0 H VAL A 51 -6.071 4.596 -3.654 1.00 23.44 H new ATOM 0 HA VAL A 51 -3.770 2.812 -3.308 1.00 41.43 H new ATOM 0 HB VAL A 51 -5.190 1.395 -1.775 1.00 43.31 H new ATOM 0 HG11 VAL A 51 -4.729 2.714 0.254 1.00 72.15 H new ATOM 0 HG12 VAL A 51 -3.366 2.751 -0.889 1.00 72.15 H new ATOM 0 HG13 VAL A 51 -4.452 4.154 -0.754 1.00 72.15 H new ATOM 0 HG21 VAL A 51 -7.032 2.497 -0.551 1.00 74.11 H new ATOM 0 HG22 VAL A 51 -6.865 3.924 -1.602 1.00 74.11 H new ATOM 0 HG23 VAL A 51 -7.376 2.365 -2.292 1.00 74.11 H new ATOM 777 N LEU A 52 -5.687 0.831 -4.002 1.00 13.35 N ATOM 778 CA LEU A 52 -6.444 -0.095 -4.845 1.00 2.04 C ATOM 779 C LEU A 52 -5.693 -0.433 -6.129 1.00 41.13 C ATOM 780 O LEU A 52 -4.503 -0.144 -6.265 1.00 5.33 O ATOM 781 CB LEU A 52 -7.836 0.462 -5.183 1.00 11.41 C ATOM 782 CG LEU A 52 -8.774 0.664 -3.991 1.00 14.23 C ATOM 783 CD1 LEU A 52 -10.067 1.321 -4.443 1.00 61.32 C ATOM 784 CD2 LEU A 52 -9.067 -0.663 -3.307 1.00 42.02 C ATOM 0 H LEU A 52 -5.248 0.385 -3.197 1.00 13.35 H new ATOM 0 HA LEU A 52 -6.567 -1.012 -4.269 1.00 2.04 H new ATOM 0 HB2 LEU A 52 -7.712 1.418 -5.691 1.00 11.41 H new ATOM 0 HB3 LEU A 52 -8.316 -0.214 -5.890 1.00 11.41 H new ATOM 0 HG LEU A 52 -8.281 1.319 -3.273 1.00 14.23 H new ATOM 0 HD11 LEU A 52 -10.725 1.459 -3.585 1.00 61.32 H new ATOM 0 HD12 LEU A 52 -9.846 2.290 -4.890 1.00 61.32 H new ATOM 0 HD13 LEU A 52 -10.560 0.686 -5.179 1.00 61.32 H new ATOM 0 HD21 LEU A 52 -9.736 -0.497 -2.462 1.00 42.02 H new ATOM 0 HD22 LEU A 52 -9.540 -1.341 -4.017 1.00 42.02 H new ATOM 0 HD23 LEU A 52 -8.135 -1.103 -2.951 1.00 42.02 H new ATOM 796 N ASP A 53 -6.411 -1.077 -7.045 1.00 2.33 N ATOM 797 CA ASP A 53 -5.876 -1.509 -8.337 1.00 31.35 C ATOM 798 C ASP A 53 -7.011 -2.141 -9.126 1.00 44.51 C ATOM 799 O ASP A 53 -7.341 -1.725 -10.237 1.00 52.04 O ATOM 800 CB ASP A 53 -4.742 -2.526 -8.150 1.00 60.32 C ATOM 801 CG ASP A 53 -4.073 -2.907 -9.456 1.00 74.55 C ATOM 802 OD1 ASP A 53 -4.518 -3.881 -10.097 1.00 31.14 O ATOM 803 OD2 ASP A 53 -3.083 -2.244 -9.836 1.00 4.43 O ATOM 0 H ASP A 53 -7.393 -1.317 -6.911 1.00 2.33 H new ATOM 0 HA ASP A 53 -5.467 -0.650 -8.869 1.00 31.35 H new ATOM 0 HB2 ASP A 53 -3.996 -2.111 -7.473 1.00 60.32 H new ATOM 0 HB3 ASP A 53 -5.139 -3.423 -7.675 1.00 60.32 H new ATOM 808 N GLN A 54 -7.607 -3.154 -8.512 1.00 44.31 N ATOM 809 CA GLN A 54 -8.837 -3.763 -8.995 1.00 14.33 C ATOM 810 C GLN A 54 -9.778 -3.951 -7.812 1.00 22.24 C ATOM 811 O GLN A 54 -9.339 -4.343 -6.731 1.00 2.34 O ATOM 812 CB GLN A 54 -8.558 -5.111 -9.663 1.00 71.23 C ATOM 813 CG GLN A 54 -7.807 -4.993 -10.977 1.00 40.24 C ATOM 814 CD GLN A 54 -7.420 -6.336 -11.559 1.00 54.50 C ATOM 815 OE1 GLN A 54 -8.103 -7.341 -11.350 1.00 54.14 O ATOM 816 NE2 GLN A 54 -6.321 -6.361 -12.294 1.00 75.33 N ATOM 0 H GLN A 54 -7.247 -3.579 -7.658 1.00 44.31 H new ATOM 0 HA GLN A 54 -9.292 -3.112 -9.741 1.00 14.33 H new ATOM 0 HB2 GLN A 54 -7.981 -5.734 -8.979 1.00 71.23 H new ATOM 0 HB3 GLN A 54 -9.504 -5.623 -9.839 1.00 71.23 H new ATOM 0 HG2 GLN A 54 -8.426 -4.456 -11.696 1.00 40.24 H new ATOM 0 HG3 GLN A 54 -6.907 -4.397 -10.823 1.00 40.24 H new ATOM 0 HE21 GLN A 54 -5.786 -5.505 -12.441 1.00 75.33 H new ATOM 0 HE22 GLN A 54 -6.008 -7.236 -12.714 1.00 75.33 H new ATOM 825 N ASN A 55 -11.053 -3.652 -8.002 1.00 74.52 N ATOM 826 CA ASN A 55 -12.010 -3.713 -6.902 1.00 2.02 C ATOM 827 C ASN A 55 -13.121 -4.720 -7.186 1.00 43.20 C ATOM 828 O ASN A 55 -13.435 -5.011 -8.343 1.00 52.23 O ATOM 829 CB ASN A 55 -12.611 -2.329 -6.638 1.00 72.45 C ATOM 830 CG ASN A 55 -13.450 -2.287 -5.374 1.00 35.20 C ATOM 831 OD1 ASN A 55 -13.188 -3.015 -4.416 1.00 4.45 O ATOM 832 ND2 ASN A 55 -14.464 -1.443 -5.364 1.00 74.12 N ATOM 0 H ASN A 55 -11.449 -3.367 -8.898 1.00 74.52 H new ATOM 0 HA ASN A 55 -11.472 -4.044 -6.013 1.00 2.02 H new ATOM 0 HB2 ASN A 55 -11.807 -1.597 -6.560 1.00 72.45 H new ATOM 0 HB3 ASN A 55 -13.227 -2.037 -7.488 1.00 72.45 H new ATOM 0 HD21 ASN A 55 -15.064 -1.377 -4.542 1.00 74.12 H new ATOM 0 HD22 ASN A 55 -14.648 -0.857 -6.178 1.00 74.12 H new ATOM 839 N MET A 56 -13.702 -5.248 -6.115 1.00 34.01 N ATOM 840 CA MET A 56 -14.789 -6.212 -6.190 1.00 41.30 C ATOM 841 C MET A 56 -15.339 -6.429 -4.789 1.00 54.03 C ATOM 842 O MET A 56 -14.605 -6.290 -3.811 1.00 61.00 O ATOM 843 CB MET A 56 -14.291 -7.547 -6.761 1.00 60.13 C ATOM 844 CG MET A 56 -15.395 -8.577 -6.976 1.00 32.11 C ATOM 845 SD MET A 56 -14.758 -10.212 -7.389 1.00 43.31 S ATOM 846 CE MET A 56 -13.900 -10.633 -5.873 1.00 10.21 C ATOM 0 H MET A 56 -13.427 -5.015 -5.161 1.00 34.01 H new ATOM 0 HA MET A 56 -15.568 -5.828 -6.849 1.00 41.30 H new ATOM 0 HB2 MET A 56 -13.791 -7.361 -7.712 1.00 60.13 H new ATOM 0 HB3 MET A 56 -13.545 -7.964 -6.085 1.00 60.13 H new ATOM 0 HG2 MET A 56 -16.001 -8.646 -6.073 1.00 32.11 H new ATOM 0 HG3 MET A 56 -16.052 -8.236 -7.776 1.00 32.11 H new ATOM 0 HE1 MET A 56 -13.824 -11.717 -5.787 1.00 10.21 H new ATOM 0 HE2 MET A 56 -12.900 -10.199 -5.888 1.00 10.21 H new ATOM 0 HE3 MET A 56 -14.453 -10.240 -5.020 1.00 10.21 H new ATOM 856 N SER A 57 -16.621 -6.741 -4.676 1.00 31.35 N ATOM 857 CA SER A 57 -17.193 -7.076 -3.383 1.00 62.43 C ATOM 858 C SER A 57 -16.525 -8.334 -2.823 1.00 72.25 C ATOM 859 O SER A 57 -16.453 -9.361 -3.497 1.00 34.23 O ATOM 860 CB SER A 57 -18.703 -7.268 -3.512 1.00 21.01 C ATOM 861 OG SER A 57 -19.322 -6.072 -3.963 1.00 0.41 O ATOM 0 H SER A 57 -17.278 -6.769 -5.455 1.00 31.35 H new ATOM 0 HA SER A 57 -17.012 -6.256 -2.688 1.00 62.43 H new ATOM 0 HB2 SER A 57 -18.914 -8.078 -4.210 1.00 21.01 H new ATOM 0 HB3 SER A 57 -19.122 -7.560 -2.549 1.00 21.01 H new ATOM 0 HG SER A 57 -20.289 -6.213 -4.042 1.00 0.41 H new ATOM 867 N ILE A 58 -16.026 -8.234 -1.597 1.00 73.04 N ATOM 868 CA ILE A 58 -15.280 -9.323 -0.979 1.00 31.05 C ATOM 869 C ILE A 58 -16.233 -10.347 -0.379 1.00 64.43 C ATOM 870 O ILE A 58 -15.870 -11.510 -0.171 1.00 3.45 O ATOM 871 CB ILE A 58 -14.325 -8.791 0.119 1.00 70.15 C ATOM 872 CG1 ILE A 58 -13.404 -7.716 -0.460 1.00 24.55 C ATOM 873 CG2 ILE A 58 -13.501 -9.920 0.726 1.00 31.42 C ATOM 874 CD1 ILE A 58 -12.655 -8.174 -1.689 1.00 3.45 C ATOM 0 H ILE A 58 -16.125 -7.406 -1.009 1.00 73.04 H new ATOM 0 HA ILE A 58 -14.683 -9.801 -1.756 1.00 31.05 H new ATOM 0 HB ILE A 58 -14.931 -8.352 0.912 1.00 70.15 H new ATOM 0 HG12 ILE A 58 -13.996 -6.836 -0.710 1.00 24.55 H new ATOM 0 HG13 ILE A 58 -12.687 -7.412 0.302 1.00 24.55 H new ATOM 0 HG21 ILE A 58 -12.840 -9.516 1.493 1.00 31.42 H new ATOM 0 HG22 ILE A 58 -14.168 -10.658 1.173 1.00 31.42 H new ATOM 0 HG23 ILE A 58 -12.905 -10.395 -0.053 1.00 31.42 H new ATOM 0 HD11 ILE A 58 -12.020 -7.365 -2.050 1.00 3.45 H new ATOM 0 HD12 ILE A 58 -12.037 -9.036 -1.438 1.00 3.45 H new ATOM 0 HD13 ILE A 58 -13.367 -8.451 -2.467 1.00 3.45 H new ATOM 886 N LEU A 59 -17.456 -9.893 -0.119 1.00 12.33 N ATOM 887 CA LEU A 59 -18.499 -10.713 0.486 1.00 5.32 C ATOM 888 C LEU A 59 -18.189 -11.008 1.947 1.00 24.32 C ATOM 889 O LEU A 59 -18.788 -10.415 2.847 1.00 50.42 O ATOM 890 CB LEU A 59 -18.713 -12.021 -0.289 1.00 34.41 C ATOM 891 CG LEU A 59 -19.457 -11.880 -1.615 1.00 52.33 C ATOM 892 CD1 LEU A 59 -19.503 -13.212 -2.346 1.00 11.43 C ATOM 893 CD2 LEU A 59 -20.863 -11.354 -1.374 1.00 43.33 C ATOM 0 H LEU A 59 -17.752 -8.939 -0.324 1.00 12.33 H new ATOM 0 HA LEU A 59 -19.424 -10.139 0.439 1.00 5.32 H new ATOM 0 HB2 LEU A 59 -17.740 -12.472 -0.484 1.00 34.41 H new ATOM 0 HB3 LEU A 59 -19.264 -12.714 0.346 1.00 34.41 H new ATOM 0 HG LEU A 59 -18.921 -11.166 -2.241 1.00 52.33 H new ATOM 0 HD11 LEU A 59 -20.037 -13.092 -3.289 1.00 11.43 H new ATOM 0 HD12 LEU A 59 -18.487 -13.553 -2.546 1.00 11.43 H new ATOM 0 HD13 LEU A 59 -20.018 -13.948 -1.729 1.00 11.43 H new ATOM 0 HD21 LEU A 59 -21.384 -11.258 -2.327 1.00 43.33 H new ATOM 0 HD22 LEU A 59 -21.406 -12.048 -0.732 1.00 43.33 H new ATOM 0 HD23 LEU A 59 -20.809 -10.379 -0.890 1.00 43.33 H new ATOM 905 N GLU A 60 -17.243 -11.907 2.180 1.00 30.12 N ATOM 906 CA GLU A 60 -16.880 -12.295 3.534 1.00 41.14 C ATOM 907 C GLU A 60 -15.589 -13.116 3.543 1.00 55.42 C ATOM 908 O GLU A 60 -14.845 -13.102 4.525 1.00 42.51 O ATOM 909 CB GLU A 60 -18.022 -13.079 4.192 1.00 74.13 C ATOM 910 CG GLU A 60 -18.335 -14.411 3.527 1.00 73.22 C ATOM 911 CD GLU A 60 -19.424 -15.168 4.255 1.00 50.54 C ATOM 912 OE1 GLU A 60 -19.180 -15.618 5.398 1.00 51.22 O ATOM 913 OE2 GLU A 60 -20.533 -15.303 3.701 1.00 35.02 O ATOM 0 H GLU A 60 -16.713 -12.381 1.448 1.00 30.12 H new ATOM 0 HA GLU A 60 -16.705 -11.387 4.111 1.00 41.14 H new ATOM 0 HB2 GLU A 60 -17.768 -13.259 5.237 1.00 74.13 H new ATOM 0 HB3 GLU A 60 -18.921 -12.463 4.184 1.00 74.13 H new ATOM 0 HG2 GLU A 60 -18.642 -14.238 2.496 1.00 73.22 H new ATOM 0 HG3 GLU A 60 -17.432 -15.020 3.493 1.00 73.22 H new ATOM 920 N GLY A 61 -15.331 -13.833 2.453 1.00 1.11 N ATOM 921 CA GLY A 61 -14.116 -14.617 2.357 1.00 73.21 C ATOM 922 C GLY A 61 -14.045 -15.415 1.073 1.00 44.11 C ATOM 923 O GLY A 61 -14.976 -16.150 0.738 1.00 32.22 O ATOM 0 H GLY A 61 -15.941 -13.884 1.637 1.00 1.11 H new ATOM 0 HA2 GLY A 61 -13.253 -13.954 2.418 1.00 73.21 H new ATOM 0 HA3 GLY A 61 -14.057 -15.296 3.208 1.00 73.21 H new ATOM 927 N SER A 62 -12.944 -15.266 0.350 1.00 24.04 N ATOM 928 CA SER A 62 -12.733 -15.988 -0.893 1.00 31.32 C ATOM 929 C SER A 62 -11.240 -16.019 -1.218 1.00 35.52 C ATOM 930 O SER A 62 -10.457 -15.265 -0.635 1.00 25.35 O ATOM 931 CB SER A 62 -13.520 -15.327 -2.032 1.00 40.13 C ATOM 932 OG SER A 62 -13.505 -16.122 -3.207 1.00 65.52 O ATOM 0 H SER A 62 -12.177 -14.645 0.608 1.00 24.04 H new ATOM 0 HA SER A 62 -13.092 -17.011 -0.781 1.00 31.32 H new ATOM 0 HB2 SER A 62 -14.550 -15.163 -1.716 1.00 40.13 H new ATOM 0 HB3 SER A 62 -13.094 -14.348 -2.249 1.00 40.13 H new ATOM 0 HG SER A 62 -14.017 -15.673 -3.912 1.00 65.52 H new ATOM 938 N LEU A 63 -10.846 -16.881 -2.143 1.00 23.00 N ATOM 939 CA LEU A 63 -9.442 -17.015 -2.507 1.00 10.43 C ATOM 940 C LEU A 63 -9.052 -15.973 -3.545 1.00 23.15 C ATOM 941 O LEU A 63 -9.534 -15.995 -4.677 1.00 13.44 O ATOM 942 CB LEU A 63 -9.130 -18.423 -3.032 1.00 0.23 C ATOM 943 CG LEU A 63 -9.060 -19.528 -1.972 1.00 42.25 C ATOM 944 CD1 LEU A 63 -10.442 -19.877 -1.436 1.00 64.21 C ATOM 945 CD2 LEU A 63 -8.379 -20.763 -2.539 1.00 33.35 C ATOM 0 H LEU A 63 -11.477 -17.498 -2.655 1.00 23.00 H new ATOM 0 HA LEU A 63 -8.854 -16.851 -1.604 1.00 10.43 H new ATOM 0 HB2 LEU A 63 -9.891 -18.695 -3.764 1.00 0.23 H new ATOM 0 HB3 LEU A 63 -8.177 -18.391 -3.560 1.00 0.23 H new ATOM 0 HG LEU A 63 -8.468 -19.152 -1.137 1.00 42.25 H new ATOM 0 HD11 LEU A 63 -10.354 -20.664 -0.687 1.00 64.21 H new ATOM 0 HD12 LEU A 63 -10.890 -18.993 -0.983 1.00 64.21 H new ATOM 0 HD13 LEU A 63 -11.073 -20.224 -2.254 1.00 64.21 H new ATOM 0 HD21 LEU A 63 -8.337 -21.539 -1.774 1.00 33.35 H new ATOM 0 HD22 LEU A 63 -8.944 -21.129 -3.396 1.00 33.35 H new ATOM 0 HD23 LEU A 63 -7.367 -20.508 -2.854 1.00 33.35 H new ATOM 957 N GLY A 64 -8.183 -15.058 -3.147 1.00 43.54 N ATOM 958 CA GLY A 64 -7.740 -14.017 -4.043 1.00 12.25 C ATOM 959 C GLY A 64 -7.436 -12.733 -3.304 1.00 22.10 C ATOM 960 O GLY A 64 -8.340 -11.960 -2.982 1.00 24.55 O ATOM 0 H GLY A 64 -7.775 -15.020 -2.213 1.00 43.54 H new ATOM 0 HA2 GLY A 64 -6.849 -14.350 -4.575 1.00 12.25 H new ATOM 0 HA3 GLY A 64 -8.509 -13.832 -4.793 1.00 12.25 H new ATOM 964 N VAL A 65 -6.166 -12.511 -3.016 1.00 64.21 N ATOM 965 CA VAL A 65 -5.746 -11.317 -2.306 1.00 35.30 C ATOM 966 C VAL A 65 -5.312 -10.250 -3.299 1.00 12.44 C ATOM 967 O VAL A 65 -4.425 -10.481 -4.122 1.00 25.04 O ATOM 968 CB VAL A 65 -4.585 -11.608 -1.327 1.00 54.13 C ATOM 969 CG1 VAL A 65 -4.183 -10.352 -0.571 1.00 61.01 C ATOM 970 CG2 VAL A 65 -4.971 -12.721 -0.363 1.00 2.20 C ATOM 0 H VAL A 65 -5.406 -13.144 -3.264 1.00 64.21 H new ATOM 0 HA VAL A 65 -6.598 -10.964 -1.725 1.00 35.30 H new ATOM 0 HB VAL A 65 -3.723 -11.938 -1.907 1.00 54.13 H new ATOM 0 HG11 VAL A 65 -3.365 -10.584 0.111 1.00 61.01 H new ATOM 0 HG12 VAL A 65 -3.860 -9.589 -1.279 1.00 61.01 H new ATOM 0 HG13 VAL A 65 -5.036 -9.981 -0.002 1.00 61.01 H new ATOM 0 HG21 VAL A 65 -4.144 -12.914 0.320 1.00 2.20 H new ATOM 0 HG22 VAL A 65 -5.849 -12.420 0.208 1.00 2.20 H new ATOM 0 HG23 VAL A 65 -5.197 -13.627 -0.925 1.00 2.20 H new ATOM 980 N ILE A 66 -5.957 -9.096 -3.240 1.00 12.25 N ATOM 981 CA ILE A 66 -5.630 -7.988 -4.126 1.00 21.12 C ATOM 982 C ILE A 66 -4.465 -7.187 -3.551 1.00 1.21 C ATOM 983 O ILE A 66 -4.559 -6.659 -2.440 1.00 24.14 O ATOM 984 CB ILE A 66 -6.838 -7.038 -4.354 1.00 23.01 C ATOM 985 CG1 ILE A 66 -8.005 -7.765 -5.033 1.00 35.04 C ATOM 986 CG2 ILE A 66 -6.426 -5.829 -5.188 1.00 51.52 C ATOM 987 CD1 ILE A 66 -8.851 -8.603 -4.095 1.00 35.21 C ATOM 0 H ILE A 66 -6.714 -8.901 -2.585 1.00 12.25 H new ATOM 0 HA ILE A 66 -5.356 -8.419 -5.089 1.00 21.12 H new ATOM 0 HB ILE A 66 -7.171 -6.697 -3.374 1.00 23.01 H new ATOM 0 HG12 ILE A 66 -8.644 -7.027 -5.518 1.00 35.04 H new ATOM 0 HG13 ILE A 66 -7.609 -8.409 -5.818 1.00 35.04 H new ATOM 0 HG21 ILE A 66 -7.288 -5.178 -5.335 1.00 51.52 H new ATOM 0 HG22 ILE A 66 -5.640 -5.280 -4.669 1.00 51.52 H new ATOM 0 HG23 ILE A 66 -6.055 -6.164 -6.157 1.00 51.52 H new ATOM 0 HD11 ILE A 66 -9.653 -9.081 -4.658 1.00 35.21 H new ATOM 0 HD12 ILE A 66 -8.229 -9.367 -3.629 1.00 35.21 H new ATOM 0 HD13 ILE A 66 -9.281 -7.964 -3.323 1.00 35.21 H new ATOM 999 N PRO A 67 -3.348 -7.106 -4.290 1.00 3.45 N ATOM 1000 CA PRO A 67 -2.177 -6.328 -3.875 1.00 52.41 C ATOM 1001 C PRO A 67 -2.505 -4.847 -3.741 1.00 34.33 C ATOM 1002 O PRO A 67 -2.619 -4.124 -4.735 1.00 3.43 O ATOM 1003 CB PRO A 67 -1.162 -6.555 -5.000 1.00 23.12 C ATOM 1004 CG PRO A 67 -1.635 -7.781 -5.699 1.00 45.34 C ATOM 1005 CD PRO A 67 -3.130 -7.774 -5.583 1.00 32.34 C ATOM 0 HA PRO A 67 -1.807 -6.637 -2.897 1.00 52.41 H new ATOM 0 HB2 PRO A 67 -1.126 -5.702 -5.678 1.00 23.12 H new ATOM 0 HB3 PRO A 67 -0.156 -6.689 -4.603 1.00 23.12 H new ATOM 0 HG2 PRO A 67 -1.325 -7.778 -6.744 1.00 45.34 H new ATOM 0 HG3 PRO A 67 -1.213 -8.677 -5.244 1.00 45.34 H new ATOM 0 HD2 PRO A 67 -3.598 -7.231 -6.404 1.00 32.34 H new ATOM 0 HD3 PRO A 67 -3.542 -8.783 -5.593 1.00 32.34 H new ATOM 1013 N ARG A 68 -2.675 -4.409 -2.508 1.00 74.51 N ATOM 1014 CA ARG A 68 -3.067 -3.044 -2.230 1.00 34.34 C ATOM 1015 C ARG A 68 -1.882 -2.255 -1.703 1.00 34.31 C ATOM 1016 O ARG A 68 -1.378 -2.521 -0.612 1.00 14.42 O ATOM 1017 CB ARG A 68 -4.210 -3.031 -1.213 1.00 21.34 C ATOM 1018 CG ARG A 68 -4.724 -1.644 -0.873 1.00 54.04 C ATOM 1019 CD ARG A 68 -5.878 -1.718 0.114 1.00 64.00 C ATOM 1020 NE ARG A 68 -6.995 -2.504 -0.413 1.00 73.22 N ATOM 1021 CZ ARG A 68 -7.777 -3.294 0.330 1.00 14.52 C ATOM 1022 NH1 ARG A 68 -7.570 -3.402 1.635 1.00 34.30 N ATOM 1023 NH2 ARG A 68 -8.763 -3.978 -0.239 1.00 65.35 N ATOM 0 H ARG A 68 -2.546 -4.986 -1.677 1.00 74.51 H new ATOM 0 HA ARG A 68 -3.410 -2.577 -3.153 1.00 34.34 H new ATOM 0 HB2 ARG A 68 -5.035 -3.627 -1.603 1.00 21.34 H new ATOM 0 HB3 ARG A 68 -3.872 -3.516 -0.297 1.00 21.34 H new ATOM 0 HG2 ARG A 68 -3.916 -1.047 -0.450 1.00 54.04 H new ATOM 0 HG3 ARG A 68 -5.050 -1.140 -1.783 1.00 54.04 H new ATOM 0 HD2 ARG A 68 -5.530 -2.161 1.047 1.00 64.00 H new ATOM 0 HD3 ARG A 68 -6.221 -0.710 0.348 1.00 64.00 H new ATOM 0 HE ARG A 68 -7.189 -2.445 -1.413 1.00 73.22 H new ATOM 0 HH11 ARG A 68 -6.812 -2.881 2.076 1.00 34.30 H new ATOM 0 HH12 ARG A 68 -8.169 -4.006 2.198 1.00 34.30 H new ATOM 0 HH21 ARG A 68 -8.924 -3.901 -1.243 1.00 65.35 H new ATOM 0 HH22 ARG A 68 -9.359 -4.581 0.328 1.00 65.35 H new ATOM 1037 N ARG A 69 -1.426 -1.301 -2.491 1.00 44.40 N ATOM 1038 CA ARG A 69 -0.343 -0.437 -2.065 1.00 2.44 C ATOM 1039 C ARG A 69 -0.841 0.993 -1.945 1.00 0.33 C ATOM 1040 O ARG A 69 -1.863 1.350 -2.530 1.00 11.23 O ATOM 1041 CB ARG A 69 0.863 -0.514 -3.012 1.00 1.14 C ATOM 1042 CG ARG A 69 0.643 0.077 -4.396 1.00 32.33 C ATOM 1043 CD ARG A 69 -0.041 -0.890 -5.345 1.00 11.11 C ATOM 1044 NE ARG A 69 0.399 -0.680 -6.722 1.00 62.51 N ATOM 1045 CZ ARG A 69 -0.331 -0.970 -7.800 1.00 32.52 C ATOM 1046 NH1 ARG A 69 -1.585 -1.389 -7.676 1.00 12.00 N ATOM 1047 NH2 ARG A 69 0.190 -0.816 -9.010 1.00 62.12 N ATOM 0 H ARG A 69 -1.786 -1.105 -3.425 1.00 44.40 H new ATOM 0 HA ARG A 69 -0.003 -0.783 -1.089 1.00 2.44 H new ATOM 0 HB2 ARG A 69 1.704 -0.000 -2.545 1.00 1.14 H new ATOM 0 HB3 ARG A 69 1.150 -1.560 -3.123 1.00 1.14 H new ATOM 0 HG2 ARG A 69 0.040 0.981 -4.309 1.00 32.33 H new ATOM 0 HG3 ARG A 69 1.604 0.374 -4.817 1.00 32.33 H new ATOM 0 HD2 ARG A 69 0.177 -1.915 -5.043 1.00 11.11 H new ATOM 0 HD3 ARG A 69 -1.122 -0.762 -5.282 1.00 11.11 H new ATOM 0 HE ARG A 69 1.328 -0.285 -6.869 1.00 62.51 H new ATOM 0 HH11 ARG A 69 -1.999 -1.492 -6.750 1.00 12.00 H new ATOM 0 HH12 ARG A 69 -2.134 -1.608 -8.507 1.00 12.00 H new ATOM 0 HH21 ARG A 69 1.146 -0.477 -9.114 1.00 62.12 H new ATOM 0 HH22 ARG A 69 -0.366 -1.037 -9.836 1.00 62.12 H new ATOM 1061 N VAL A 70 -0.129 1.801 -1.179 1.00 60.41 N ATOM 1062 CA VAL A 70 -0.559 3.162 -0.906 1.00 34.41 C ATOM 1063 C VAL A 70 0.337 4.164 -1.620 1.00 4.34 C ATOM 1064 O VAL A 70 1.542 4.222 -1.367 1.00 15.54 O ATOM 1065 CB VAL A 70 -0.544 3.460 0.608 1.00 74.24 C ATOM 1066 CG1 VAL A 70 -1.183 4.810 0.900 1.00 43.02 C ATOM 1067 CG2 VAL A 70 -1.238 2.355 1.391 1.00 22.44 C ATOM 0 H VAL A 70 0.751 1.538 -0.734 1.00 60.41 H new ATOM 0 HA VAL A 70 -1.580 3.259 -1.276 1.00 34.41 H new ATOM 0 HB VAL A 70 0.496 3.498 0.931 1.00 74.24 H new ATOM 0 HG11 VAL A 70 -1.161 4.998 1.973 1.00 43.02 H new ATOM 0 HG12 VAL A 70 -0.630 5.594 0.383 1.00 43.02 H new ATOM 0 HG13 VAL A 70 -2.216 4.806 0.553 1.00 43.02 H new ATOM 0 HG21 VAL A 70 -1.212 2.592 2.455 1.00 22.44 H new ATOM 0 HG22 VAL A 70 -2.274 2.272 1.063 1.00 22.44 H new ATOM 0 HG23 VAL A 70 -0.725 1.409 1.217 1.00 22.44 H new ATOM 1077 N LEU A 71 -0.253 4.940 -2.521 1.00 12.21 N ATOM 1078 CA LEU A 71 0.470 5.982 -3.235 1.00 52.11 C ATOM 1079 C LEU A 71 0.039 7.348 -2.727 1.00 31.15 C ATOM 1080 O LEU A 71 -1.152 7.618 -2.584 1.00 64.15 O ATOM 1081 CB LEU A 71 0.233 5.895 -4.749 1.00 15.44 C ATOM 1082 CG LEU A 71 0.971 4.761 -5.477 1.00 45.23 C ATOM 1083 CD1 LEU A 71 0.383 3.407 -5.123 1.00 50.02 C ATOM 1084 CD2 LEU A 71 0.933 4.982 -6.979 1.00 71.42 C ATOM 0 H LEU A 71 -1.238 4.865 -2.775 1.00 12.21 H new ATOM 0 HA LEU A 71 1.535 5.838 -3.051 1.00 52.11 H new ATOM 0 HB2 LEU A 71 -0.836 5.778 -4.924 1.00 15.44 H new ATOM 0 HB3 LEU A 71 0.528 6.843 -5.199 1.00 15.44 H new ATOM 0 HG LEU A 71 2.010 4.771 -5.149 1.00 45.23 H new ATOM 0 HD11 LEU A 71 0.926 2.625 -5.653 1.00 50.02 H new ATOM 0 HD12 LEU A 71 0.468 3.243 -4.049 1.00 50.02 H new ATOM 0 HD13 LEU A 71 -0.668 3.380 -5.412 1.00 50.02 H new ATOM 0 HD21 LEU A 71 1.460 4.170 -7.480 1.00 71.42 H new ATOM 0 HD22 LEU A 71 -0.103 5.005 -7.317 1.00 71.42 H new ATOM 0 HD23 LEU A 71 1.414 5.930 -7.220 1.00 71.42 H new ATOM 1096 N VAL A 72 1.005 8.201 -2.441 1.00 33.05 N ATOM 1097 CA VAL A 72 0.712 9.542 -1.958 1.00 43.51 C ATOM 1098 C VAL A 72 0.646 10.531 -3.117 1.00 14.33 C ATOM 1099 O VAL A 72 1.409 10.428 -4.082 1.00 42.20 O ATOM 1100 CB VAL A 72 1.746 10.015 -0.913 1.00 33.53 C ATOM 1101 CG1 VAL A 72 1.578 9.243 0.388 1.00 0.34 C ATOM 1102 CG2 VAL A 72 3.166 9.863 -1.442 1.00 14.23 C ATOM 0 H VAL A 72 1.999 7.992 -2.534 1.00 33.05 H new ATOM 0 HA VAL A 72 -0.262 9.503 -1.470 1.00 43.51 H new ATOM 0 HB VAL A 72 1.569 11.073 -0.717 1.00 33.53 H new ATOM 0 HG11 VAL A 72 2.314 9.588 1.114 1.00 0.34 H new ATOM 0 HG12 VAL A 72 0.575 9.408 0.782 1.00 0.34 H new ATOM 0 HG13 VAL A 72 1.724 8.179 0.201 1.00 0.34 H new ATOM 0 HG21 VAL A 72 3.874 10.203 -0.686 1.00 14.23 H new ATOM 0 HG22 VAL A 72 3.358 8.815 -1.673 1.00 14.23 H new ATOM 0 HG23 VAL A 72 3.284 10.462 -2.345 1.00 14.23 H new ATOM 1112 N HIS A 73 -0.273 11.484 -3.020 1.00 73.14 N ATOM 1113 CA HIS A 73 -0.505 12.442 -4.090 1.00 42.12 C ATOM 1114 C HIS A 73 0.415 13.654 -3.932 1.00 72.12 C ATOM 1115 O HIS A 73 -0.048 14.784 -3.755 1.00 74.23 O ATOM 1116 CB HIS A 73 -1.980 12.866 -4.087 1.00 53.21 C ATOM 1117 CG HIS A 73 -2.396 13.697 -5.266 1.00 35.10 C ATOM 1118 ND1 HIS A 73 -1.652 13.818 -6.423 1.00 14.13 N ATOM 1119 CD2 HIS A 73 -3.500 14.455 -5.454 1.00 2.42 C ATOM 1120 CE1 HIS A 73 -2.285 14.609 -7.266 1.00 20.45 C ATOM 1121 NE2 HIS A 73 -3.408 15.010 -6.704 1.00 21.20 N ATOM 0 H HIS A 73 -0.873 11.613 -2.205 1.00 73.14 H new ATOM 0 HA HIS A 73 -0.277 11.975 -5.048 1.00 42.12 H new ATOM 0 HB2 HIS A 73 -2.601 11.971 -4.053 1.00 53.21 H new ATOM 0 HB3 HIS A 73 -2.181 13.428 -3.175 1.00 53.21 H new ATOM 0 HD1 HIS A 73 -0.754 13.366 -6.598 1.00 14.13 H new ATOM 0 HD2 HIS A 73 -4.306 14.597 -4.749 1.00 2.42 H new ATOM 0 HE1 HIS A 73 -1.941 14.883 -8.252 1.00 20.45 H new ATOM 1130 N GLU A 74 1.720 13.387 -3.984 1.00 64.44 N ATOM 1131 CA GLU A 74 2.763 14.414 -3.895 1.00 21.13 C ATOM 1132 C GLU A 74 2.637 15.258 -2.625 1.00 35.22 C ATOM 1133 O GLU A 74 1.884 14.917 -1.712 1.00 43.13 O ATOM 1134 CB GLU A 74 2.747 15.336 -5.121 1.00 62.21 C ATOM 1135 CG GLU A 74 2.776 14.610 -6.456 1.00 53.32 C ATOM 1136 CD GLU A 74 1.401 14.494 -7.082 1.00 64.10 C ATOM 1137 OE1 GLU A 74 0.850 15.533 -7.499 1.00 51.41 O ATOM 1138 OE2 GLU A 74 0.860 13.370 -7.169 1.00 34.32 O ATOM 0 H GLU A 74 2.089 12.442 -4.090 1.00 64.44 H new ATOM 0 HA GLU A 74 3.713 13.880 -3.860 1.00 21.13 H new ATOM 0 HB2 GLU A 74 1.853 15.959 -5.080 1.00 62.21 H new ATOM 0 HB3 GLU A 74 3.605 16.006 -5.067 1.00 62.21 H new ATOM 0 HG2 GLU A 74 3.440 15.139 -7.140 1.00 53.32 H new ATOM 0 HG3 GLU A 74 3.193 13.613 -6.315 1.00 53.32 H new ATOM 1145 N ASP A 75 3.409 16.351 -2.583 1.00 61.23 N ATOM 1146 CA ASP A 75 3.395 17.324 -1.480 1.00 34.42 C ATOM 1147 C ASP A 75 3.869 16.712 -0.158 1.00 21.40 C ATOM 1148 O ASP A 75 4.983 16.979 0.290 1.00 51.31 O ATOM 1149 CB ASP A 75 2.004 17.945 -1.302 1.00 21.14 C ATOM 1150 CG ASP A 75 2.005 19.100 -0.313 1.00 24.24 C ATOM 1151 OD1 ASP A 75 1.842 18.856 0.902 1.00 65.11 O ATOM 1152 OD2 ASP A 75 2.159 20.263 -0.751 1.00 31.24 O ATOM 0 H ASP A 75 4.070 16.589 -3.323 1.00 61.23 H new ATOM 0 HA ASP A 75 4.099 18.110 -1.754 1.00 34.42 H new ATOM 0 HB2 ASP A 75 1.641 18.298 -2.267 1.00 21.14 H new ATOM 0 HB3 ASP A 75 1.308 17.179 -0.960 1.00 21.14 H new ATOM 1157 N ASP A 76 3.037 15.868 0.440 1.00 21.50 N ATOM 1158 CA ASP A 76 3.316 15.287 1.748 1.00 13.03 C ATOM 1159 C ASP A 76 4.104 13.988 1.601 1.00 73.02 C ATOM 1160 O ASP A 76 3.919 13.039 2.366 1.00 11.43 O ATOM 1161 CB ASP A 76 2.005 15.019 2.493 1.00 45.34 C ATOM 1162 CG ASP A 76 1.984 15.650 3.870 1.00 51.34 C ATOM 1163 OD1 ASP A 76 2.784 15.240 4.734 1.00 21.23 O ATOM 1164 OD2 ASP A 76 1.180 16.584 4.089 1.00 34.41 O ATOM 0 H ASP A 76 2.151 15.567 0.033 1.00 21.50 H new ATOM 0 HA ASP A 76 3.915 15.995 2.320 1.00 13.03 H new ATOM 0 HB2 ASP A 76 1.171 15.405 1.907 1.00 45.34 H new ATOM 0 HB3 ASP A 76 1.857 13.943 2.587 1.00 45.34 H new ATOM 1169 N LEU A 77 5.002 13.968 0.620 1.00 14.34 N ATOM 1170 CA LEU A 77 5.836 12.805 0.348 1.00 30.24 C ATOM 1171 C LEU A 77 6.640 12.426 1.586 1.00 74.25 C ATOM 1172 O LEU A 77 6.630 11.273 2.023 1.00 31.20 O ATOM 1173 CB LEU A 77 6.792 13.103 -0.814 1.00 40.41 C ATOM 1174 CG LEU A 77 6.777 12.088 -1.959 1.00 15.34 C ATOM 1175 CD1 LEU A 77 6.977 10.672 -1.434 1.00 75.31 C ATOM 1176 CD2 LEU A 77 5.481 12.196 -2.750 1.00 25.24 C ATOM 0 H LEU A 77 5.170 14.756 -0.006 1.00 14.34 H new ATOM 0 HA LEU A 77 5.188 11.971 0.077 1.00 30.24 H new ATOM 0 HB2 LEU A 77 6.548 14.085 -1.219 1.00 40.41 H new ATOM 0 HB3 LEU A 77 7.806 13.164 -0.420 1.00 40.41 H new ATOM 0 HG LEU A 77 7.606 12.316 -2.628 1.00 15.34 H new ATOM 0 HD11 LEU A 77 6.962 9.970 -2.267 1.00 75.31 H new ATOM 0 HD12 LEU A 77 7.936 10.606 -0.921 1.00 75.31 H new ATOM 0 HD13 LEU A 77 6.175 10.426 -0.738 1.00 75.31 H new ATOM 0 HD21 LEU A 77 5.487 11.467 -3.560 1.00 25.24 H new ATOM 0 HD22 LEU A 77 4.635 11.999 -2.091 1.00 25.24 H new ATOM 0 HD23 LEU A 77 5.391 13.200 -3.166 1.00 25.24 H new ATOM 1188 N ALA A 78 7.323 13.411 2.152 1.00 3.11 N ATOM 1189 CA ALA A 78 8.130 13.195 3.342 1.00 4.44 C ATOM 1190 C ALA A 78 7.235 12.996 4.556 1.00 22.24 C ATOM 1191 O ALA A 78 7.608 12.314 5.510 1.00 63.32 O ATOM 1192 CB ALA A 78 9.083 14.360 3.565 1.00 42.22 C ATOM 0 H ALA A 78 7.333 14.370 1.804 1.00 3.11 H new ATOM 0 HA ALA A 78 8.725 12.293 3.197 1.00 4.44 H new ATOM 0 HB1 ALA A 78 9.677 14.178 4.460 1.00 42.22 H new ATOM 0 HB2 ALA A 78 9.745 14.459 2.704 1.00 42.22 H new ATOM 0 HB3 ALA A 78 8.511 15.279 3.690 1.00 42.22 H new ATOM 1198 N GLY A 79 6.045 13.587 4.497 1.00 13.14 N ATOM 1199 CA GLY A 79 5.105 13.496 5.597 1.00 10.15 C ATOM 1200 C GLY A 79 4.683 12.071 5.879 1.00 60.01 C ATOM 1201 O GLY A 79 4.800 11.601 7.010 1.00 20.32 O ATOM 0 H GLY A 79 5.715 14.131 3.700 1.00 13.14 H new ATOM 0 HA2 GLY A 79 5.556 13.922 6.493 1.00 10.15 H new ATOM 0 HA3 GLY A 79 4.223 14.095 5.368 1.00 10.15 H new ATOM 1205 N ALA A 80 4.218 11.376 4.849 1.00 30.23 N ATOM 1206 CA ALA A 80 3.776 9.993 4.996 1.00 64.22 C ATOM 1207 C ALA A 80 4.925 9.094 5.442 1.00 71.44 C ATOM 1208 O ALA A 80 4.759 8.258 6.332 1.00 2.12 O ATOM 1209 CB ALA A 80 3.187 9.487 3.691 1.00 13.42 C ATOM 0 H ALA A 80 4.137 11.746 3.902 1.00 30.23 H new ATOM 0 HA ALA A 80 3.005 9.964 5.766 1.00 64.22 H new ATOM 0 HB1 ALA A 80 2.861 8.454 3.815 1.00 13.42 H new ATOM 0 HB2 ALA A 80 2.334 10.106 3.413 1.00 13.42 H new ATOM 0 HB3 ALA A 80 3.943 9.538 2.907 1.00 13.42 H new ATOM 1215 N ARG A 81 6.089 9.280 4.825 1.00 54.55 N ATOM 1216 CA ARG A 81 7.277 8.507 5.174 1.00 22.21 C ATOM 1217 C ARG A 81 7.637 8.708 6.645 1.00 13.34 C ATOM 1218 O ARG A 81 7.974 7.758 7.353 1.00 64.21 O ATOM 1219 CB ARG A 81 8.455 8.917 4.285 1.00 22.42 C ATOM 1220 CG ARG A 81 8.270 8.549 2.819 1.00 34.21 C ATOM 1221 CD ARG A 81 9.411 9.067 1.951 1.00 4.21 C ATOM 1222 NE ARG A 81 10.717 8.591 2.416 1.00 42.03 N ATOM 1223 CZ ARG A 81 11.885 9.030 1.946 1.00 64.21 C ATOM 1224 NH1 ARG A 81 11.921 9.956 1.001 1.00 54.43 N ATOM 1225 NH2 ARG A 81 13.022 8.537 2.426 1.00 12.31 N ATOM 0 H ARG A 81 6.235 9.961 4.079 1.00 54.55 H new ATOM 0 HA ARG A 81 7.060 7.451 5.011 1.00 22.21 H new ATOM 0 HB2 ARG A 81 8.602 9.994 4.365 1.00 22.42 H new ATOM 0 HB3 ARG A 81 9.363 8.443 4.658 1.00 22.42 H new ATOM 0 HG2 ARG A 81 8.205 7.465 2.723 1.00 34.21 H new ATOM 0 HG3 ARG A 81 7.326 8.958 2.459 1.00 34.21 H new ATOM 0 HD2 ARG A 81 9.255 8.748 0.920 1.00 4.21 H new ATOM 0 HD3 ARG A 81 9.401 10.157 1.953 1.00 4.21 H new ATOM 0 HE ARG A 81 10.733 7.878 3.146 1.00 42.03 H new ATOM 0 HH11 ARG A 81 11.052 10.338 0.628 1.00 54.43 H new ATOM 0 HH12 ARG A 81 12.818 10.288 0.646 1.00 54.43 H new ATOM 0 HH21 ARG A 81 13.001 7.823 3.154 1.00 12.31 H new ATOM 0 HH22 ARG A 81 13.916 8.873 2.066 1.00 12.31 H new ATOM 1239 N ARG A 82 7.538 9.952 7.095 1.00 2.21 N ATOM 1240 CA ARG A 82 7.837 10.303 8.476 1.00 5.54 C ATOM 1241 C ARG A 82 6.789 9.721 9.423 1.00 22.41 C ATOM 1242 O ARG A 82 7.125 9.063 10.406 1.00 31.13 O ATOM 1243 CB ARG A 82 7.876 11.828 8.630 1.00 52.33 C ATOM 1244 CG ARG A 82 8.260 12.304 10.019 1.00 42.43 C ATOM 1245 CD ARG A 82 9.768 12.368 10.201 1.00 61.12 C ATOM 1246 NE ARG A 82 10.429 11.083 9.974 1.00 1.54 N ATOM 1247 CZ ARG A 82 11.186 10.471 10.880 1.00 43.02 C ATOM 1248 NH1 ARG A 82 11.260 10.946 12.117 1.00 54.20 N ATOM 1249 NH2 ARG A 82 11.841 9.367 10.550 1.00 25.41 N ATOM 0 H ARG A 82 7.250 10.741 6.517 1.00 2.21 H new ATOM 0 HA ARG A 82 8.810 9.884 8.732 1.00 5.54 H new ATOM 0 HB2 ARG A 82 8.585 12.237 7.909 1.00 52.33 H new ATOM 0 HB3 ARG A 82 6.896 12.233 8.378 1.00 52.33 H new ATOM 0 HG2 ARG A 82 7.831 13.290 10.196 1.00 42.43 H new ATOM 0 HG3 ARG A 82 7.833 11.632 10.764 1.00 42.43 H new ATOM 0 HD2 ARG A 82 10.180 13.108 9.514 1.00 61.12 H new ATOM 0 HD3 ARG A 82 9.992 12.711 11.211 1.00 61.12 H new ATOM 0 HE ARG A 82 10.302 10.630 9.069 1.00 1.54 H new ATOM 0 HH11 ARG A 82 10.736 11.782 12.374 1.00 54.20 H new ATOM 0 HH12 ARG A 82 11.841 10.475 12.810 1.00 54.20 H new ATOM 0 HH21 ARG A 82 11.763 8.991 9.605 1.00 25.41 H new ATOM 0 HH22 ARG A 82 12.423 8.894 11.241 1.00 25.41 H new ATOM 1263 N LEU A 83 5.526 9.950 9.088 1.00 5.25 N ATOM 1264 CA LEU A 83 4.403 9.582 9.943 1.00 31.50 C ATOM 1265 C LEU A 83 4.409 8.094 10.290 1.00 34.04 C ATOM 1266 O LEU A 83 4.277 7.721 11.455 1.00 61.21 O ATOM 1267 CB LEU A 83 3.088 9.949 9.252 1.00 54.24 C ATOM 1268 CG LEU A 83 1.824 9.698 10.074 1.00 63.35 C ATOM 1269 CD1 LEU A 83 1.796 10.593 11.303 1.00 74.51 C ATOM 1270 CD2 LEU A 83 0.590 9.924 9.219 1.00 41.15 C ATOM 0 H LEU A 83 5.250 10.397 8.214 1.00 5.25 H new ATOM 0 HA LEU A 83 4.501 10.137 10.876 1.00 31.50 H new ATOM 0 HB2 LEU A 83 3.121 11.004 8.981 1.00 54.24 H new ATOM 0 HB3 LEU A 83 3.015 9.384 8.323 1.00 54.24 H new ATOM 0 HG LEU A 83 1.829 8.661 10.411 1.00 63.35 H new ATOM 0 HD11 LEU A 83 0.888 10.398 11.874 1.00 74.51 H new ATOM 0 HD12 LEU A 83 2.667 10.385 11.924 1.00 74.51 H new ATOM 0 HD13 LEU A 83 1.813 11.638 10.993 1.00 74.51 H new ATOM 0 HD21 LEU A 83 -0.304 9.742 9.815 1.00 41.15 H new ATOM 0 HD22 LEU A 83 0.582 10.952 8.857 1.00 41.15 H new ATOM 0 HD23 LEU A 83 0.605 9.240 8.370 1.00 41.15 H new ATOM 1282 N LEU A 84 4.563 7.249 9.281 1.00 74.02 N ATOM 1283 CA LEU A 84 4.554 5.805 9.491 1.00 21.43 C ATOM 1284 C LEU A 84 5.777 5.355 10.283 1.00 23.34 C ATOM 1285 O LEU A 84 5.733 4.338 10.982 1.00 73.13 O ATOM 1286 CB LEU A 84 4.457 5.059 8.158 1.00 54.22 C ATOM 1287 CG LEU A 84 3.034 4.897 7.605 1.00 42.33 C ATOM 1288 CD1 LEU A 84 2.375 6.246 7.357 1.00 34.51 C ATOM 1289 CD2 LEU A 84 3.056 4.083 6.324 1.00 51.11 C ATOM 0 H LEU A 84 4.695 7.535 8.311 1.00 74.02 H new ATOM 0 HA LEU A 84 3.670 5.559 10.079 1.00 21.43 H new ATOM 0 HB2 LEU A 84 5.059 5.587 7.419 1.00 54.22 H new ATOM 0 HB3 LEU A 84 4.898 4.070 8.280 1.00 54.22 H new ATOM 0 HG LEU A 84 2.445 4.369 8.355 1.00 42.33 H new ATOM 0 HD11 LEU A 84 1.369 6.093 6.966 1.00 34.51 H new ATOM 0 HD12 LEU A 84 2.320 6.802 8.293 1.00 34.51 H new ATOM 0 HD13 LEU A 84 2.963 6.811 6.634 1.00 34.51 H new ATOM 0 HD21 LEU A 84 2.040 3.976 5.943 1.00 51.11 H new ATOM 0 HD22 LEU A 84 3.671 4.591 5.581 1.00 51.11 H new ATOM 0 HD23 LEU A 84 3.473 3.097 6.527 1.00 51.11 H new ATOM 1301 N THR A 85 6.862 6.111 10.173 1.00 43.15 N ATOM 1302 CA THR A 85 8.056 5.846 10.959 1.00 74.24 C ATOM 1303 C THR A 85 7.812 6.196 12.427 1.00 44.14 C ATOM 1304 O THR A 85 8.179 5.436 13.328 1.00 24.30 O ATOM 1305 CB THR A 85 9.266 6.638 10.419 1.00 72.05 C ATOM 1306 OG1 THR A 85 9.465 6.325 9.035 1.00 2.35 O ATOM 1307 CG2 THR A 85 10.531 6.309 11.197 1.00 72.42 C ATOM 0 H THR A 85 6.938 6.912 9.546 1.00 43.15 H new ATOM 0 HA THR A 85 8.283 4.783 10.879 1.00 74.24 H new ATOM 0 HB THR A 85 9.057 7.701 10.536 1.00 72.05 H new ATOM 0 HG1 THR A 85 8.741 6.717 8.504 1.00 2.35 H new ATOM 0 HG21 THR A 85 11.366 6.882 10.793 1.00 72.42 H new ATOM 0 HG22 THR A 85 10.389 6.565 12.247 1.00 72.42 H new ATOM 0 HG23 THR A 85 10.746 5.244 11.109 1.00 72.42 H new ATOM 1315 N ASP A 86 7.168 7.343 12.656 1.00 40.14 N ATOM 1316 CA ASP A 86 6.798 7.771 14.005 1.00 43.33 C ATOM 1317 C ASP A 86 5.820 6.788 14.634 1.00 52.02 C ATOM 1318 O ASP A 86 5.905 6.487 15.827 1.00 61.55 O ATOM 1319 CB ASP A 86 6.164 9.170 14.000 1.00 62.40 C ATOM 1320 CG ASP A 86 7.178 10.295 13.901 1.00 72.10 C ATOM 1321 OD1 ASP A 86 7.883 10.553 14.899 1.00 21.11 O ATOM 1322 OD2 ASP A 86 7.260 10.943 12.836 1.00 63.12 O ATOM 0 H ASP A 86 6.892 7.994 11.921 1.00 40.14 H new ATOM 0 HA ASP A 86 7.716 7.802 14.591 1.00 43.33 H new ATOM 0 HB2 ASP A 86 5.470 9.243 13.163 1.00 62.40 H new ATOM 0 HB3 ASP A 86 5.579 9.298 14.911 1.00 62.40 H new ATOM 1327 N ALA A 87 4.886 6.301 13.822 1.00 1.20 N ATOM 1328 CA ALA A 87 3.872 5.355 14.276 1.00 53.14 C ATOM 1329 C ALA A 87 4.504 4.097 14.858 1.00 75.41 C ATOM 1330 O ALA A 87 4.076 3.610 15.902 1.00 30.01 O ATOM 1331 CB ALA A 87 2.935 5.000 13.134 1.00 55.40 C ATOM 0 H ALA A 87 4.811 6.550 12.836 1.00 1.20 H new ATOM 0 HA ALA A 87 3.298 5.834 15.069 1.00 53.14 H new ATOM 0 HB1 ALA A 87 2.183 4.294 13.486 1.00 55.40 H new ATOM 0 HB2 ALA A 87 2.443 5.903 12.773 1.00 55.40 H new ATOM 0 HB3 ALA A 87 3.505 4.548 12.322 1.00 55.40 H new ATOM 1337 N GLY A 88 5.525 3.579 14.190 1.00 12.41 N ATOM 1338 CA GLY A 88 6.230 2.434 14.723 1.00 73.20 C ATOM 1339 C GLY A 88 6.612 1.420 13.670 1.00 32.33 C ATOM 1340 O GLY A 88 7.731 0.911 13.680 1.00 42.31 O ATOM 0 H GLY A 88 5.874 3.928 13.297 1.00 12.41 H new ATOM 0 HA2 GLY A 88 7.132 2.776 15.231 1.00 73.20 H new ATOM 0 HA3 GLY A 88 5.606 1.949 15.474 1.00 73.20 H new ATOM 1344 N LEU A 89 5.690 1.129 12.761 1.00 63.33 N ATOM 1345 CA LEU A 89 5.903 0.092 11.754 1.00 23.20 C ATOM 1346 C LEU A 89 7.131 0.387 10.891 1.00 11.32 C ATOM 1347 O LEU A 89 8.184 -0.222 11.082 1.00 62.45 O ATOM 1348 CB LEU A 89 4.654 -0.103 10.871 1.00 0.21 C ATOM 1349 CG LEU A 89 4.063 1.162 10.224 1.00 74.22 C ATOM 1350 CD1 LEU A 89 3.325 0.809 8.941 1.00 32.24 C ATOM 1351 CD2 LEU A 89 3.119 1.869 11.183 1.00 12.25 C ATOM 0 H LEU A 89 4.785 1.596 12.699 1.00 63.33 H new ATOM 0 HA LEU A 89 6.086 -0.839 12.291 1.00 23.20 H new ATOM 0 HB2 LEU A 89 4.905 -0.806 10.077 1.00 0.21 H new ATOM 0 HB3 LEU A 89 3.878 -0.570 11.477 1.00 0.21 H new ATOM 0 HG LEU A 89 4.887 1.834 9.986 1.00 74.22 H new ATOM 0 HD11 LEU A 89 2.913 1.715 8.497 1.00 32.24 H new ATOM 0 HD12 LEU A 89 4.017 0.343 8.240 1.00 32.24 H new ATOM 0 HD13 LEU A 89 2.515 0.115 9.166 1.00 32.24 H new ATOM 0 HD21 LEU A 89 2.714 2.760 10.704 1.00 12.25 H new ATOM 0 HD22 LEU A 89 2.303 1.198 11.451 1.00 12.25 H new ATOM 0 HD23 LEU A 89 3.663 2.157 12.083 1.00 12.25 H new ATOM 1363 N ALA A 90 6.988 1.335 9.959 1.00 53.53 N ATOM 1364 CA ALA A 90 8.058 1.696 9.023 1.00 11.51 C ATOM 1365 C ALA A 90 8.738 0.454 8.440 1.00 1.22 C ATOM 1366 O ALA A 90 9.966 0.394 8.345 1.00 14.20 O ATOM 1367 CB ALA A 90 9.078 2.587 9.720 1.00 54.42 C ATOM 0 H ALA A 90 6.130 1.872 9.832 1.00 53.53 H new ATOM 0 HA ALA A 90 7.612 2.244 8.193 1.00 11.51 H new ATOM 0 HB1 ALA A 90 9.870 2.851 9.019 1.00 54.42 H new ATOM 0 HB2 ALA A 90 8.588 3.494 10.072 1.00 54.42 H new ATOM 0 HB3 ALA A 90 9.507 2.054 10.568 1.00 54.42 H new ATOM 1373 N HIS A 91 7.938 -0.531 8.040 1.00 51.24 N ATOM 1374 CA HIS A 91 8.487 -1.812 7.601 1.00 42.50 C ATOM 1375 C HIS A 91 8.171 -2.081 6.136 1.00 24.31 C ATOM 1376 O HIS A 91 9.074 -2.296 5.330 1.00 51.40 O ATOM 1377 CB HIS A 91 7.941 -2.945 8.472 1.00 63.42 C ATOM 1378 CG HIS A 91 8.751 -4.207 8.388 1.00 5.15 C ATOM 1379 ND1 HIS A 91 9.592 -4.622 9.396 1.00 72.23 N ATOM 1380 CD2 HIS A 91 8.857 -5.138 7.409 1.00 74.24 C ATOM 1381 CE1 HIS A 91 10.180 -5.749 9.042 1.00 63.23 C ATOM 1382 NE2 HIS A 91 9.754 -6.086 7.838 1.00 23.23 N ATOM 0 H HIS A 91 6.920 -0.470 8.010 1.00 51.24 H new ATOM 0 HA HIS A 91 9.571 -1.765 7.707 1.00 42.50 H new ATOM 0 HB2 HIS A 91 7.908 -2.612 9.509 1.00 63.42 H new ATOM 0 HB3 HIS A 91 6.915 -3.160 8.174 1.00 63.42 H new ATOM 0 HD2 HIS A 91 8.333 -5.135 6.465 1.00 74.24 H new ATOM 0 HE1 HIS A 91 10.891 -6.303 9.637 1.00 63.23 H new ATOM 0 HE2 HIS A 91 10.043 -6.912 7.314 1.00 23.23 H new ATOM 1391 N GLU A 92 6.886 -2.054 5.796 1.00 1.33 N ATOM 1392 CA GLU A 92 6.442 -2.346 4.431 1.00 54.22 C ATOM 1393 C GLU A 92 6.697 -1.160 3.500 1.00 12.03 C ATOM 1394 O GLU A 92 6.230 -1.143 2.359 1.00 41.12 O ATOM 1395 CB GLU A 92 4.953 -2.700 4.426 1.00 62.01 C ATOM 1396 CG GLU A 92 4.589 -3.857 5.349 1.00 70.02 C ATOM 1397 CD GLU A 92 5.242 -5.168 4.955 1.00 73.12 C ATOM 1398 OE1 GLU A 92 6.360 -5.449 5.439 1.00 42.10 O ATOM 1399 OE2 GLU A 92 4.636 -5.928 4.170 1.00 15.14 O ATOM 0 H GLU A 92 6.131 -1.833 6.445 1.00 1.33 H new ATOM 0 HA GLU A 92 7.017 -3.197 4.065 1.00 54.22 H new ATOM 0 HB2 GLU A 92 4.380 -1.820 4.719 1.00 62.01 H new ATOM 0 HB3 GLU A 92 4.653 -2.952 3.409 1.00 62.01 H new ATOM 0 HG2 GLU A 92 4.882 -3.605 6.368 1.00 70.02 H new ATOM 0 HG3 GLU A 92 3.506 -3.984 5.351 1.00 70.02 H new ATOM 1406 N LEU A 93 7.444 -0.178 3.991 1.00 42.42 N ATOM 1407 CA LEU A 93 7.747 1.021 3.227 1.00 14.41 C ATOM 1408 C LEU A 93 8.883 0.753 2.256 1.00 35.45 C ATOM 1409 O LEU A 93 10.001 0.433 2.669 1.00 23.34 O ATOM 1410 CB LEU A 93 8.144 2.168 4.163 1.00 70.13 C ATOM 1411 CG LEU A 93 7.137 2.501 5.262 1.00 22.31 C ATOM 1412 CD1 LEU A 93 7.619 3.688 6.083 1.00 2.22 C ATOM 1413 CD2 LEU A 93 5.774 2.787 4.660 1.00 25.11 C ATOM 0 H LEU A 93 7.854 -0.192 4.925 1.00 42.42 H new ATOM 0 HA LEU A 93 6.853 1.304 2.671 1.00 14.41 H new ATOM 0 HB2 LEU A 93 9.096 1.918 4.631 1.00 70.13 H new ATOM 0 HB3 LEU A 93 8.309 3.063 3.563 1.00 70.13 H new ATOM 0 HG LEU A 93 7.048 1.640 5.924 1.00 22.31 H new ATOM 0 HD11 LEU A 93 6.890 3.912 6.862 1.00 2.22 H new ATOM 0 HD12 LEU A 93 8.578 3.447 6.542 1.00 2.22 H new ATOM 0 HD13 LEU A 93 7.735 4.556 5.434 1.00 2.22 H new ATOM 0 HD21 LEU A 93 5.067 3.023 5.456 1.00 25.11 H new ATOM 0 HD22 LEU A 93 5.848 3.634 3.978 1.00 25.11 H new ATOM 0 HD23 LEU A 93 5.426 1.910 4.114 1.00 25.11 H new ATOM 1425 N ARG A 94 8.606 0.879 0.973 1.00 43.14 N ATOM 1426 CA ARG A 94 9.635 0.708 -0.033 1.00 12.22 C ATOM 1427 C ARG A 94 10.128 2.074 -0.482 1.00 64.43 C ATOM 1428 O ARG A 94 9.719 2.587 -1.522 1.00 21.50 O ATOM 1429 CB ARG A 94 9.125 -0.110 -1.222 1.00 43.43 C ATOM 1430 CG ARG A 94 10.240 -0.570 -2.148 1.00 73.22 C ATOM 1431 CD ARG A 94 9.720 -1.446 -3.274 1.00 63.02 C ATOM 1432 NE ARG A 94 10.817 -2.024 -4.052 1.00 73.15 N ATOM 1433 CZ ARG A 94 10.670 -2.653 -5.216 1.00 32.43 C ATOM 1434 NH1 ARG A 94 9.463 -2.810 -5.747 1.00 21.12 N ATOM 1435 NH2 ARG A 94 11.738 -3.127 -5.848 1.00 32.51 N ATOM 0 H ARG A 94 7.681 1.098 0.604 1.00 43.14 H new ATOM 0 HA ARG A 94 10.465 0.152 0.403 1.00 12.22 H new ATOM 0 HB2 ARG A 94 8.585 -0.981 -0.852 1.00 43.43 H new ATOM 0 HB3 ARG A 94 8.413 0.489 -1.789 1.00 43.43 H new ATOM 0 HG2 ARG A 94 10.744 0.300 -2.569 1.00 73.22 H new ATOM 0 HG3 ARG A 94 10.984 -1.122 -1.573 1.00 73.22 H new ATOM 0 HD2 ARG A 94 9.105 -2.245 -2.861 1.00 63.02 H new ATOM 0 HD3 ARG A 94 9.079 -0.856 -3.929 1.00 63.02 H new ATOM 0 HE ARG A 94 11.761 -1.939 -3.675 1.00 73.15 H new ATOM 0 HH11 ARG A 94 8.642 -2.448 -5.263 1.00 21.12 H new ATOM 0 HH12 ARG A 94 9.357 -3.293 -6.639 1.00 21.12 H new ATOM 0 HH21 ARG A 94 12.666 -3.008 -5.441 1.00 32.51 H new ATOM 0 HH22 ARG A 94 11.630 -3.610 -6.740 1.00 32.51 H new ATOM 1449 N SER A 95 10.989 2.664 0.335 1.00 33.13 N ATOM 1450 CA SER A 95 11.486 4.011 0.097 1.00 30.11 C ATOM 1451 C SER A 95 12.286 4.091 -1.201 1.00 45.21 C ATOM 1452 O SER A 95 12.297 5.127 -1.870 1.00 33.30 O ATOM 1453 CB SER A 95 12.350 4.450 1.279 1.00 52.22 C ATOM 1454 OG SER A 95 11.662 4.253 2.504 1.00 43.12 O ATOM 0 H SER A 95 11.361 2.225 1.177 1.00 33.13 H new ATOM 0 HA SER A 95 10.632 4.681 -0.002 1.00 30.11 H new ATOM 0 HB2 SER A 95 13.282 3.884 1.285 1.00 52.22 H new ATOM 0 HB3 SER A 95 12.616 5.501 1.171 1.00 52.22 H new ATOM 0 HG SER A 95 12.232 4.538 3.249 1.00 43.12 H new ATOM 1460 N ASP A 96 12.946 2.991 -1.553 1.00 3.42 N ATOM 1461 CA ASP A 96 13.736 2.929 -2.778 1.00 42.23 C ATOM 1462 C ASP A 96 14.114 1.486 -3.093 1.00 73.20 C ATOM 1463 O ASP A 96 14.112 1.065 -4.250 1.00 33.32 O ATOM 1464 CB ASP A 96 15.000 3.784 -2.647 1.00 23.50 C ATOM 1465 CG ASP A 96 15.747 3.915 -3.959 1.00 3.44 C ATOM 1466 OD1 ASP A 96 15.334 4.740 -4.800 1.00 44.42 O ATOM 1467 OD2 ASP A 96 16.754 3.204 -4.157 1.00 32.54 O ATOM 0 H ASP A 96 12.949 2.130 -1.006 1.00 3.42 H new ATOM 0 HA ASP A 96 13.131 3.322 -3.595 1.00 42.23 H new ATOM 0 HB2 ASP A 96 14.729 4.776 -2.286 1.00 23.50 H new ATOM 0 HB3 ASP A 96 15.659 3.342 -1.900 1.00 23.50 H new ATOM 1472 N ASP A 97 14.425 0.732 -2.051 1.00 5.33 N ATOM 1473 CA ASP A 97 14.842 -0.657 -2.201 1.00 25.11 C ATOM 1474 C ASP A 97 13.635 -1.579 -2.147 1.00 73.24 C ATOM 1475 O ASP A 97 13.024 -1.700 -1.066 1.00 0.00 O ATOM 1476 CB ASP A 97 15.838 -1.049 -1.106 1.00 1.42 C ATOM 1477 CG ASP A 97 17.034 -0.122 -1.042 1.00 4.41 C ATOM 1478 OD1 ASP A 97 18.038 -0.374 -1.747 1.00 65.43 O ATOM 1479 OD2 ASP A 97 16.976 0.865 -0.279 1.00 42.04 O ATOM 1480 OXT ASP A 97 13.305 -2.186 -3.188 1.00 0.00 O ATOM 0 H ASP A 97 14.397 1.059 -1.085 1.00 5.33 H new ATOM 0 HA ASP A 97 15.330 -0.759 -3.170 1.00 25.11 H new ATOM 0 HB2 ASP A 97 15.330 -1.047 -0.142 1.00 1.42 H new ATOM 0 HB3 ASP A 97 16.183 -2.068 -1.282 1.00 1.42 H new TER 1485 ASP A 97