USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.044) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.905) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 30 GLN : amide:sc= -0.076 X(o=-0.076,f=-0.4) USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -105:sc= -0.0528 (180deg=-0.999) USER MOD Single : A 64 SER OG : rot 180:sc= 0.105 USER MOD Single : A 70 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 79 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.378 -1.478 -6.813 1.00 62.12 N ATOM 28 CA HIS A 14 1.278 -1.621 -7.952 1.00 72.34 C ATOM 29 C HIS A 14 0.491 -1.733 -9.255 1.00 63.10 C ATOM 30 O HIS A 14 -0.476 -2.489 -9.343 1.00 51.51 O ATOM 31 CB HIS A 14 2.169 -2.851 -7.774 1.00 40.21 C ATOM 32 CG HIS A 14 1.415 -4.144 -7.787 1.00 75.54 C ATOM 33 ND1 HIS A 14 0.858 -4.703 -6.656 1.00 25.11 N ATOM 34 CD2 HIS A 14 1.124 -4.989 -8.804 1.00 73.41 C ATOM 35 CE1 HIS A 14 0.260 -5.836 -6.976 1.00 31.53 C ATOM 36 NE2 HIS A 14 0.406 -6.033 -8.274 1.00 11.13 N ATOM 0 HA HIS A 14 1.906 -0.731 -8.002 1.00 72.34 H new ATOM 0 HB2 HIS A 14 2.915 -2.867 -8.569 1.00 40.21 H new ATOM 0 HB3 HIS A 14 2.709 -2.765 -6.831 1.00 40.21 H new ATOM 0 HD2 HIS A 14 1.404 -4.865 -9.840 1.00 73.41 H new ATOM 0 HE1 HIS A 14 -0.260 -6.491 -6.292 1.00 31.53 H new ATOM 0 HE2 HIS A 14 0.044 -6.830 -8.797 1.00 11.13 H new ATOM 44 N GLN A 15 0.913 -0.976 -10.262 1.00 44.34 N ATOM 45 CA GLN A 15 0.247 -0.989 -11.559 1.00 71.42 C ATOM 46 C GLN A 15 1.221 -1.373 -12.668 1.00 44.50 C ATOM 47 O GLN A 15 2.321 -0.826 -12.759 1.00 64.24 O ATOM 48 CB GLN A 15 -0.368 0.380 -11.855 1.00 21.32 C ATOM 49 CG GLN A 15 0.663 1.474 -12.080 1.00 62.34 C ATOM 50 CD GLN A 15 0.315 2.761 -11.360 1.00 41.30 C ATOM 51 OE1 GLN A 15 1.045 3.208 -10.475 1.00 22.23 O ATOM 52 NE2 GLN A 15 -0.805 3.366 -11.737 1.00 14.44 N ATOM 0 H GLN A 15 1.713 -0.346 -10.205 1.00 44.34 H new ATOM 0 HA GLN A 15 -0.547 -1.735 -11.523 1.00 71.42 H new ATOM 0 HB2 GLN A 15 -1.001 0.301 -12.739 1.00 21.32 H new ATOM 0 HB3 GLN A 15 -1.014 0.666 -11.025 1.00 21.32 H new ATOM 0 HG2 GLN A 15 1.638 1.124 -11.740 1.00 62.34 H new ATOM 0 HG3 GLN A 15 0.750 1.672 -13.148 1.00 62.34 H new ATOM 0 HE21 GLN A 15 -1.380 2.960 -12.475 1.00 14.44 H new ATOM 0 HE22 GLN A 15 -1.090 4.237 -11.289 1.00 14.44 H new ATOM 61 N THR A 16 0.811 -2.316 -13.510 1.00 61.01 N ATOM 62 CA THR A 16 1.648 -2.774 -14.612 1.00 0.40 C ATOM 63 C THR A 16 0.800 -3.220 -15.798 1.00 23.35 C ATOM 64 O THR A 16 -0.133 -4.008 -15.644 1.00 70.35 O ATOM 65 CB THR A 16 2.559 -3.938 -14.179 1.00 43.34 C ATOM 66 OG1 THR A 16 3.354 -3.546 -13.054 1.00 74.12 O ATOM 67 CG2 THR A 16 3.467 -4.368 -15.322 1.00 53.01 C ATOM 0 H THR A 16 -0.096 -2.778 -13.450 1.00 61.01 H new ATOM 0 HA THR A 16 2.268 -1.929 -14.910 1.00 0.40 H new ATOM 0 HB THR A 16 1.927 -4.781 -13.901 1.00 43.34 H new ATOM 0 HG1 THR A 16 3.929 -4.292 -12.784 1.00 74.12 H new ATOM 0 HG21 THR A 16 4.101 -5.191 -14.993 1.00 53.01 H new ATOM 0 HG22 THR A 16 2.860 -4.693 -16.167 1.00 53.01 H new ATOM 0 HG23 THR A 16 4.092 -3.528 -15.626 1.00 53.01 H new ATOM 75 N VAL A 17 1.131 -2.712 -16.981 1.00 23.44 N ATOM 76 CA VAL A 17 0.401 -3.061 -18.193 1.00 41.25 C ATOM 77 C VAL A 17 1.263 -3.896 -19.133 1.00 44.14 C ATOM 78 O VAL A 17 2.483 -3.736 -19.180 1.00 63.00 O ATOM 79 CB VAL A 17 -0.081 -1.802 -18.939 1.00 74.52 C ATOM 80 CG1 VAL A 17 -0.995 -2.183 -20.094 1.00 32.40 C ATOM 81 CG2 VAL A 17 -0.786 -0.854 -17.981 1.00 51.45 C ATOM 0 H VAL A 17 1.900 -2.058 -17.125 1.00 23.44 H new ATOM 0 HA VAL A 17 -0.465 -3.646 -17.884 1.00 41.25 H new ATOM 0 HB VAL A 17 0.788 -1.288 -19.349 1.00 74.52 H new ATOM 0 HG11 VAL A 17 -1.326 -1.281 -20.609 1.00 32.40 H new ATOM 0 HG12 VAL A 17 -0.453 -2.821 -20.792 1.00 32.40 H new ATOM 0 HG13 VAL A 17 -1.862 -2.720 -19.710 1.00 32.40 H new ATOM 0 HG21 VAL A 17 -1.120 0.030 -18.524 1.00 51.45 H new ATOM 0 HG22 VAL A 17 -1.647 -1.356 -17.540 1.00 51.45 H new ATOM 0 HG23 VAL A 17 -0.097 -0.556 -17.191 1.00 51.45 H new ATOM 91 N TYR A 18 0.622 -4.787 -19.881 1.00 54.41 N ATOM 92 CA TYR A 18 1.330 -5.649 -20.819 1.00 60.04 C ATOM 93 C TYR A 18 0.997 -5.276 -22.261 1.00 15.03 C ATOM 94 O TYR A 18 -0.170 -5.115 -22.619 1.00 13.13 O ATOM 95 CB TYR A 18 0.975 -7.115 -20.565 1.00 50.01 C ATOM 96 CG TYR A 18 1.096 -7.524 -19.115 1.00 21.54 C ATOM 97 CD1 TYR A 18 2.275 -8.072 -18.623 1.00 72.44 C ATOM 98 CD2 TYR A 18 0.032 -7.364 -18.236 1.00 21.53 C ATOM 99 CE1 TYR A 18 2.390 -8.449 -17.299 1.00 40.31 C ATOM 100 CE2 TYR A 18 0.139 -7.737 -16.910 1.00 12.53 C ATOM 101 CZ TYR A 18 1.320 -8.278 -16.446 1.00 74.32 C ATOM 102 OH TYR A 18 1.429 -8.652 -15.126 1.00 44.53 O ATOM 0 H TYR A 18 -0.387 -4.931 -19.856 1.00 54.41 H new ATOM 0 HA TYR A 18 2.400 -5.509 -20.665 1.00 60.04 H new ATOM 0 HB2 TYR A 18 -0.046 -7.296 -20.901 1.00 50.01 H new ATOM 0 HB3 TYR A 18 1.626 -7.748 -21.168 1.00 50.01 H new ATOM 0 HD1 TYR A 18 3.116 -8.205 -19.288 1.00 72.44 H new ATOM 0 HD2 TYR A 18 -0.894 -6.941 -18.595 1.00 21.53 H new ATOM 0 HE1 TYR A 18 3.313 -8.875 -16.934 1.00 40.31 H new ATOM 0 HE2 TYR A 18 -0.698 -7.606 -16.240 1.00 12.53 H new ATOM 0 HH TYR A 18 0.587 -8.464 -14.662 1.00 44.53 H new ATOM 112 N VAL A 19 2.031 -5.141 -23.085 1.00 11.34 N ATOM 113 CA VAL A 19 1.850 -4.789 -24.488 1.00 13.43 C ATOM 114 C VAL A 19 2.610 -5.747 -25.397 1.00 44.35 C ATOM 115 O VAL A 19 3.691 -6.225 -25.050 1.00 54.33 O ATOM 116 CB VAL A 19 2.318 -3.349 -24.770 1.00 45.21 C ATOM 117 CG1 VAL A 19 2.063 -2.979 -26.223 1.00 71.23 C ATOM 118 CG2 VAL A 19 1.627 -2.370 -23.833 1.00 32.30 C ATOM 0 H VAL A 19 3.003 -5.270 -22.805 1.00 11.34 H new ATOM 0 HA VAL A 19 0.783 -4.864 -24.698 1.00 13.43 H new ATOM 0 HB VAL A 19 3.391 -3.293 -24.589 1.00 45.21 H new ATOM 0 HG11 VAL A 19 2.400 -1.958 -26.403 1.00 71.23 H new ATOM 0 HG12 VAL A 19 2.610 -3.662 -26.874 1.00 71.23 H new ATOM 0 HG13 VAL A 19 0.996 -3.052 -26.435 1.00 71.23 H new ATOM 0 HG21 VAL A 19 1.970 -1.358 -24.047 1.00 32.30 H new ATOM 0 HG22 VAL A 19 0.548 -2.426 -23.979 1.00 32.30 H new ATOM 0 HG23 VAL A 19 1.867 -2.624 -22.800 1.00 32.30 H new ATOM 128 N LYS A 20 2.040 -6.024 -26.565 1.00 51.40 N ATOM 129 CA LYS A 20 2.664 -6.924 -27.528 1.00 12.43 C ATOM 130 C LYS A 20 4.108 -6.514 -27.798 1.00 60.34 C ATOM 131 O LYS A 20 4.499 -5.363 -27.605 1.00 52.22 O ATOM 132 CB LYS A 20 1.871 -6.932 -28.837 1.00 21.43 C ATOM 133 CG LYS A 20 1.459 -5.548 -29.307 1.00 73.44 C ATOM 134 CD LYS A 20 1.444 -5.456 -30.824 1.00 65.40 C ATOM 135 CE LYS A 20 2.653 -4.696 -31.348 1.00 11.54 C ATOM 136 NZ LYS A 20 2.412 -4.139 -32.708 1.00 35.33 N ATOM 0 H LYS A 20 1.146 -5.638 -26.868 1.00 51.40 H new ATOM 0 HA LYS A 20 2.663 -7.928 -27.104 1.00 12.43 H new ATOM 0 HB2 LYS A 20 2.472 -7.406 -29.613 1.00 21.43 H new ATOM 0 HB3 LYS A 20 0.978 -7.543 -28.707 1.00 21.43 H new ATOM 0 HG2 LYS A 20 0.469 -5.310 -28.917 1.00 73.44 H new ATOM 0 HG3 LYS A 20 2.147 -4.806 -28.903 1.00 73.44 H new ATOM 0 HD2 LYS A 20 1.431 -6.459 -31.250 1.00 65.40 H new ATOM 0 HD3 LYS A 20 0.531 -4.959 -31.150 1.00 65.40 H new ATOM 0 HE2 LYS A 20 2.898 -3.885 -30.662 1.00 11.54 H new ATOM 0 HE3 LYS A 20 3.516 -5.361 -31.376 1.00 11.54 H new ATOM 0 HZ1 LYS A 20 3.129 -3.416 -32.919 1.00 35.33 H new ATOM 0 HZ2 LYS A 20 2.473 -4.902 -33.412 1.00 35.33 H new ATOM 0 HZ3 LYS A 20 1.466 -3.709 -32.744 1.00 35.33 H new ATOM 150 N PRO A 21 4.921 -7.477 -28.258 1.00 32.33 N ATOM 151 CA PRO A 21 6.334 -7.240 -28.567 1.00 10.23 C ATOM 152 C PRO A 21 6.518 -6.361 -29.799 1.00 41.30 C ATOM 153 O PRO A 21 5.579 -6.143 -30.564 1.00 51.35 O ATOM 154 CB PRO A 21 6.881 -8.646 -28.826 1.00 45.51 C ATOM 155 CG PRO A 21 5.698 -9.439 -29.259 1.00 75.32 C ATOM 156 CD PRO A 21 4.523 -8.872 -28.511 1.00 73.24 C ATOM 0 HA PRO A 21 6.844 -6.711 -27.762 1.00 10.23 H new ATOM 0 HB2 PRO A 21 7.653 -8.635 -29.595 1.00 45.51 H new ATOM 0 HB3 PRO A 21 7.332 -9.067 -27.928 1.00 45.51 H new ATOM 0 HG2 PRO A 21 5.549 -9.361 -30.336 1.00 75.32 H new ATOM 0 HG3 PRO A 21 5.832 -10.496 -29.031 1.00 75.32 H new ATOM 0 HD2 PRO A 21 3.607 -8.928 -29.099 1.00 73.24 H new ATOM 0 HD3 PRO A 21 4.339 -9.412 -27.582 1.00 73.24 H new ATOM 164 N VAL A 22 7.735 -5.858 -29.985 1.00 75.14 N ATOM 165 CA VAL A 22 8.042 -5.004 -31.126 1.00 42.21 C ATOM 166 C VAL A 22 8.928 -5.729 -32.133 1.00 75.21 C ATOM 167 O VAL A 22 9.654 -6.665 -31.798 1.00 3.34 O ATOM 168 CB VAL A 22 8.744 -3.707 -30.683 1.00 3.44 C ATOM 169 CG1 VAL A 22 7.747 -2.749 -30.049 1.00 32.25 C ATOM 170 CG2 VAL A 22 9.881 -4.019 -29.721 1.00 43.33 C ATOM 0 H VAL A 22 8.523 -6.027 -29.360 1.00 75.14 H new ATOM 0 HA VAL A 22 7.092 -4.752 -31.597 1.00 42.21 H new ATOM 0 HB VAL A 22 9.166 -3.224 -31.564 1.00 3.44 H new ATOM 0 HG11 VAL A 22 8.262 -1.838 -29.742 1.00 32.25 H new ATOM 0 HG12 VAL A 22 6.970 -2.501 -30.772 1.00 32.25 H new ATOM 0 HG13 VAL A 22 7.293 -3.220 -29.177 1.00 32.25 H new ATOM 0 HG21 VAL A 22 10.366 -3.091 -29.418 1.00 43.33 H new ATOM 0 HG22 VAL A 22 9.484 -4.525 -28.841 1.00 43.33 H new ATOM 0 HG23 VAL A 22 10.608 -4.664 -30.214 1.00 43.33 H new ATOM 180 N PRO A 23 8.867 -5.289 -33.399 1.00 25.03 N ATOM 181 CA PRO A 23 9.658 -5.882 -34.481 1.00 44.33 C ATOM 182 C PRO A 23 11.147 -5.581 -34.344 1.00 12.42 C ATOM 183 O PRO A 23 11.563 -4.736 -33.550 1.00 62.32 O ATOM 184 CB PRO A 23 9.092 -5.217 -35.739 1.00 24.42 C ATOM 185 CG PRO A 23 8.530 -3.923 -35.263 1.00 12.33 C ATOM 186 CD PRO A 23 8.023 -4.178 -33.870 1.00 63.42 C ATOM 0 HA PRO A 23 9.588 -6.970 -34.488 1.00 44.33 H new ATOM 0 HB2 PRO A 23 9.869 -5.060 -36.487 1.00 24.42 H new ATOM 0 HB3 PRO A 23 8.324 -5.836 -36.202 1.00 24.42 H new ATOM 0 HG2 PRO A 23 9.291 -3.143 -35.264 1.00 12.33 H new ATOM 0 HG3 PRO A 23 7.725 -3.584 -35.915 1.00 12.33 H new ATOM 0 HD2 PRO A 23 8.128 -3.297 -33.237 1.00 63.42 H new ATOM 0 HD3 PRO A 23 6.967 -4.447 -33.870 1.00 63.42 H new ATOM 194 N PRO A 24 11.970 -6.286 -35.134 1.00 54.43 N ATOM 195 CA PRO A 24 13.425 -6.110 -35.119 1.00 51.04 C ATOM 196 C PRO A 24 13.853 -4.769 -35.705 1.00 11.53 C ATOM 197 O PRO A 24 14.963 -4.296 -35.456 1.00 54.10 O ATOM 198 CB PRO A 24 13.930 -7.260 -35.994 1.00 20.53 C ATOM 199 CG PRO A 24 12.790 -7.577 -36.899 1.00 42.33 C ATOM 200 CD PRO A 24 11.543 -7.308 -36.104 1.00 74.20 C ATOM 0 HA PRO A 24 13.826 -6.119 -34.105 1.00 51.04 H new ATOM 0 HB2 PRO A 24 14.815 -6.968 -36.560 1.00 20.53 H new ATOM 0 HB3 PRO A 24 14.208 -8.124 -35.390 1.00 20.53 H new ATOM 0 HG2 PRO A 24 12.821 -6.960 -37.797 1.00 42.33 H new ATOM 0 HG3 PRO A 24 12.828 -8.616 -37.225 1.00 42.33 H new ATOM 0 HD2 PRO A 24 10.733 -6.947 -36.737 1.00 74.20 H new ATOM 0 HD3 PRO A 24 11.182 -8.208 -35.606 1.00 74.20 H new ATOM 208 N THR A 25 12.966 -4.158 -36.484 1.00 54.21 N ATOM 209 CA THR A 25 13.252 -2.871 -37.105 1.00 51.14 C ATOM 210 C THR A 25 12.991 -1.723 -36.137 1.00 44.21 C ATOM 211 O THR A 25 13.738 -0.745 -36.103 1.00 60.24 O ATOM 212 CB THR A 25 12.405 -2.659 -38.375 1.00 22.24 C ATOM 213 OG1 THR A 25 12.360 -3.868 -39.141 1.00 31.14 O ATOM 214 CG2 THR A 25 12.977 -1.535 -39.225 1.00 60.02 C ATOM 0 H THR A 25 12.043 -4.534 -36.700 1.00 54.21 H new ATOM 0 HA THR A 25 14.307 -2.880 -37.378 1.00 51.14 H new ATOM 0 HB THR A 25 11.395 -2.385 -38.070 1.00 22.24 H new ATOM 0 HG1 THR A 25 11.819 -3.726 -39.945 1.00 31.14 H new ATOM 0 HG21 THR A 25 12.363 -1.404 -40.116 1.00 60.02 H new ATOM 0 HG22 THR A 25 12.983 -0.610 -38.649 1.00 60.02 H new ATOM 0 HG23 THR A 25 13.996 -1.785 -39.521 1.00 60.02 H new ATOM 222 N ALA A 26 11.928 -1.848 -35.350 1.00 73.32 N ATOM 223 CA ALA A 26 11.571 -0.822 -34.379 1.00 13.21 C ATOM 224 C ALA A 26 12.714 -0.569 -33.402 1.00 10.00 C ATOM 225 O ALA A 26 13.029 -1.416 -32.566 1.00 25.23 O ATOM 226 CB ALA A 26 10.310 -1.222 -33.627 1.00 22.52 C ATOM 0 H ALA A 26 11.299 -2.650 -35.366 1.00 73.32 H new ATOM 0 HA ALA A 26 11.379 0.104 -34.921 1.00 13.21 H new ATOM 0 HB1 ALA A 26 10.055 -0.446 -32.905 1.00 22.52 H new ATOM 0 HB2 ALA A 26 9.489 -1.344 -34.333 1.00 22.52 H new ATOM 0 HB3 ALA A 26 10.481 -2.163 -33.103 1.00 22.52 H new ATOM 232 N THR A 27 13.333 0.602 -33.513 1.00 43.31 N ATOM 233 CA THR A 27 14.443 0.966 -32.641 1.00 71.21 C ATOM 234 C THR A 27 13.942 1.601 -31.349 1.00 53.33 C ATOM 235 O THR A 27 12.740 1.809 -31.173 1.00 24.33 O ATOM 236 CB THR A 27 15.409 1.942 -33.339 1.00 22.23 C ATOM 237 OG1 THR A 27 14.738 2.614 -34.410 1.00 71.33 O ATOM 238 CG2 THR A 27 16.626 1.205 -33.878 1.00 40.43 C ATOM 0 H THR A 27 13.084 1.315 -34.199 1.00 43.31 H new ATOM 0 HA THR A 27 14.976 0.045 -32.407 1.00 71.21 H new ATOM 0 HB THR A 27 15.744 2.675 -32.605 1.00 22.23 H new ATOM 0 HG1 THR A 27 15.359 3.234 -34.847 1.00 71.33 H new ATOM 0 HG21 THR A 27 17.294 1.914 -34.367 1.00 40.43 H new ATOM 0 HG22 THR A 27 17.151 0.719 -33.055 1.00 40.43 H new ATOM 0 HG23 THR A 27 16.306 0.452 -34.599 1.00 40.43 H new ATOM 246 N LEU A 28 14.868 1.909 -30.449 1.00 4.23 N ATOM 247 CA LEU A 28 14.520 2.523 -29.172 1.00 23.32 C ATOM 248 C LEU A 28 14.087 3.973 -29.364 1.00 63.53 C ATOM 249 O LEU A 28 13.108 4.421 -28.770 1.00 1.54 O ATOM 250 CB LEU A 28 15.709 2.457 -28.211 1.00 72.30 C ATOM 251 CG LEU A 28 15.433 2.891 -26.771 1.00 72.40 C ATOM 252 CD1 LEU A 28 15.893 1.820 -25.794 1.00 13.25 C ATOM 253 CD2 LEU A 28 16.117 4.217 -26.473 1.00 71.12 C ATOM 0 H LEU A 28 15.866 1.744 -30.579 1.00 4.23 H new ATOM 0 HA LEU A 28 13.685 1.967 -28.746 1.00 23.32 H new ATOM 0 HB2 LEU A 28 16.082 1.433 -28.196 1.00 72.30 H new ATOM 0 HB3 LEU A 28 16.508 3.081 -28.610 1.00 72.30 H new ATOM 0 HG LEU A 28 14.358 3.025 -26.652 1.00 72.40 H new ATOM 0 HD11 LEU A 28 15.689 2.146 -24.774 1.00 13.25 H new ATOM 0 HD12 LEU A 28 15.357 0.892 -25.993 1.00 13.25 H new ATOM 0 HD13 LEU A 28 16.963 1.653 -25.914 1.00 13.25 H new ATOM 0 HD21 LEU A 28 15.910 4.510 -25.444 1.00 71.12 H new ATOM 0 HD22 LEU A 28 17.193 4.110 -26.610 1.00 71.12 H new ATOM 0 HD23 LEU A 28 15.739 4.982 -27.151 1.00 71.12 H new ATOM 265 N GLU A 29 14.823 4.698 -30.201 1.00 13.43 N ATOM 266 CA GLU A 29 14.513 6.097 -30.472 1.00 51.22 C ATOM 267 C GLU A 29 13.153 6.231 -31.152 1.00 2.32 C ATOM 268 O GLU A 29 12.386 7.145 -30.851 1.00 34.23 O ATOM 269 CB GLU A 29 15.599 6.722 -31.351 1.00 75.32 C ATOM 270 CG GLU A 29 15.281 8.139 -31.796 1.00 13.51 C ATOM 271 CD GLU A 29 16.428 8.786 -32.548 1.00 32.01 C ATOM 272 OE1 GLU A 29 16.918 8.175 -33.520 1.00 62.53 O ATOM 273 OE2 GLU A 29 16.835 9.902 -32.165 1.00 1.35 O ATOM 0 H GLU A 29 15.636 4.341 -30.702 1.00 13.43 H new ATOM 0 HA GLU A 29 14.477 6.626 -29.520 1.00 51.22 H new ATOM 0 HB2 GLU A 29 16.541 6.725 -30.803 1.00 75.32 H new ATOM 0 HB3 GLU A 29 15.745 6.098 -32.232 1.00 75.32 H new ATOM 0 HG2 GLU A 29 14.396 8.126 -32.432 1.00 13.51 H new ATOM 0 HG3 GLU A 29 15.037 8.744 -30.923 1.00 13.51 H new ATOM 280 N GLN A 30 12.864 5.315 -32.070 1.00 21.33 N ATOM 281 CA GLN A 30 11.598 5.331 -32.793 1.00 1.30 C ATOM 282 C GLN A 30 10.434 5.016 -31.860 1.00 12.34 C ATOM 283 O GLN A 30 9.428 5.728 -31.842 1.00 62.54 O ATOM 284 CB GLN A 30 11.631 4.325 -33.944 1.00 70.33 C ATOM 285 CG GLN A 30 10.721 4.697 -35.104 1.00 64.00 C ATOM 286 CD GLN A 30 11.417 4.594 -36.447 1.00 54.52 C ATOM 287 OE1 GLN A 30 12.563 5.017 -36.600 1.00 10.42 O ATOM 288 NE2 GLN A 30 10.725 4.030 -37.431 1.00 1.44 N ATOM 0 H GLN A 30 13.489 4.552 -32.331 1.00 21.33 H new ATOM 0 HA GLN A 30 11.453 6.332 -33.199 1.00 1.30 H new ATOM 0 HB2 GLN A 30 12.654 4.237 -34.309 1.00 70.33 H new ATOM 0 HB3 GLN A 30 11.342 3.344 -33.567 1.00 70.33 H new ATOM 0 HG2 GLN A 30 9.848 4.044 -35.100 1.00 64.00 H new ATOM 0 HG3 GLN A 30 10.358 5.715 -34.964 1.00 64.00 H new ATOM 0 HE21 GLN A 30 9.778 3.693 -37.260 1.00 1.44 H new ATOM 0 HE22 GLN A 30 11.141 3.934 -38.357 1.00 1.44 H new ATOM 297 N LEU A 31 10.576 3.947 -31.085 1.00 31.40 N ATOM 298 CA LEU A 31 9.535 3.537 -30.148 1.00 64.42 C ATOM 299 C LEU A 31 9.226 4.652 -29.155 1.00 43.42 C ATOM 300 O LEU A 31 8.079 5.078 -29.020 1.00 53.50 O ATOM 301 CB LEU A 31 9.966 2.275 -29.398 1.00 14.13 C ATOM 302 CG LEU A 31 9.321 0.967 -29.858 1.00 51.33 C ATOM 303 CD1 LEU A 31 10.293 -0.191 -29.702 1.00 24.41 C ATOM 304 CD2 LEU A 31 8.041 0.700 -29.080 1.00 11.54 C ATOM 0 H LEU A 31 11.402 3.348 -31.086 1.00 31.40 H new ATOM 0 HA LEU A 31 8.631 3.323 -30.718 1.00 64.42 H new ATOM 0 HB2 LEU A 31 11.048 2.175 -29.488 1.00 14.13 H new ATOM 0 HB3 LEU A 31 9.746 2.413 -28.339 1.00 14.13 H new ATOM 0 HG LEU A 31 9.067 1.062 -30.914 1.00 51.33 H new ATOM 0 HD11 LEU A 31 9.816 -1.113 -30.034 1.00 24.41 H new ATOM 0 HD12 LEU A 31 11.182 -0.004 -30.305 1.00 24.41 H new ATOM 0 HD13 LEU A 31 10.579 -0.287 -28.655 1.00 24.41 H new ATOM 0 HD21 LEU A 31 7.596 -0.235 -29.421 1.00 11.54 H new ATOM 0 HD22 LEU A 31 8.270 0.626 -28.017 1.00 11.54 H new ATOM 0 HD23 LEU A 31 7.338 1.517 -29.244 1.00 11.54 H new ATOM 316 N THR A 32 10.258 5.124 -28.463 1.00 4.23 N ATOM 317 CA THR A 32 10.098 6.191 -27.483 1.00 11.10 C ATOM 318 C THR A 32 9.465 7.426 -28.114 1.00 12.13 C ATOM 319 O THR A 32 8.530 8.005 -27.562 1.00 10.42 O ATOM 320 CB THR A 32 11.448 6.585 -26.854 1.00 70.45 C ATOM 321 OG1 THR A 32 12.146 5.412 -26.420 1.00 1.33 O ATOM 322 CG2 THR A 32 11.243 7.525 -25.676 1.00 50.05 C ATOM 0 H THR A 32 11.214 4.784 -28.563 1.00 4.23 H new ATOM 0 HA THR A 32 9.441 5.807 -26.703 1.00 11.10 H new ATOM 0 HB THR A 32 12.040 7.101 -27.610 1.00 70.45 H new ATOM 0 HG1 THR A 32 12.595 4.996 -27.186 1.00 1.33 H new ATOM 0 HG21 THR A 32 12.210 7.789 -25.249 1.00 50.05 H new ATOM 0 HG22 THR A 32 10.737 8.429 -26.016 1.00 50.05 H new ATOM 0 HG23 THR A 32 10.634 7.032 -24.918 1.00 50.05 H new ATOM 330 N GLU A 33 9.980 7.823 -29.273 1.00 61.01 N ATOM 331 CA GLU A 33 9.464 8.990 -29.978 1.00 53.22 C ATOM 332 C GLU A 33 7.951 8.893 -30.156 1.00 1.53 C ATOM 333 O GLU A 33 7.208 9.780 -29.736 1.00 15.41 O ATOM 334 CB GLU A 33 10.141 9.130 -31.343 1.00 74.13 C ATOM 335 CG GLU A 33 9.677 10.344 -32.131 1.00 70.42 C ATOM 336 CD GLU A 33 10.779 10.942 -32.984 1.00 22.53 C ATOM 337 OE1 GLU A 33 11.278 10.238 -33.887 1.00 32.41 O ATOM 338 OE2 GLU A 33 11.143 12.112 -32.748 1.00 5.40 O ATOM 0 H GLU A 33 10.754 7.354 -29.744 1.00 61.01 H new ATOM 0 HA GLU A 33 9.686 9.873 -29.378 1.00 53.22 H new ATOM 0 HB2 GLU A 33 11.220 9.191 -31.200 1.00 74.13 H new ATOM 0 HB3 GLU A 33 9.948 8.231 -31.929 1.00 74.13 H new ATOM 0 HG2 GLU A 33 8.841 10.060 -32.771 1.00 70.42 H new ATOM 0 HG3 GLU A 33 9.306 11.101 -31.440 1.00 70.42 H new ATOM 345 N PHE A 34 7.503 7.810 -30.781 1.00 51.14 N ATOM 346 CA PHE A 34 6.080 7.597 -31.017 1.00 14.04 C ATOM 347 C PHE A 34 5.301 7.630 -29.705 1.00 14.11 C ATOM 348 O PHE A 34 4.214 8.203 -29.630 1.00 13.34 O ATOM 349 CB PHE A 34 5.853 6.259 -31.724 1.00 54.51 C ATOM 350 CG PHE A 34 5.714 6.386 -33.214 1.00 62.54 C ATOM 351 CD1 PHE A 34 6.828 6.311 -34.036 1.00 34.24 C ATOM 352 CD2 PHE A 34 4.471 6.579 -33.794 1.00 14.20 C ATOM 353 CE1 PHE A 34 6.704 6.426 -35.407 1.00 53.05 C ATOM 354 CE2 PHE A 34 4.341 6.695 -35.165 1.00 74.30 C ATOM 355 CZ PHE A 34 5.459 6.619 -35.973 1.00 14.33 C ATOM 0 H PHE A 34 8.105 7.066 -31.133 1.00 51.14 H new ATOM 0 HA PHE A 34 5.718 8.403 -31.655 1.00 14.04 H new ATOM 0 HB2 PHE A 34 6.686 5.593 -31.500 1.00 54.51 H new ATOM 0 HB3 PHE A 34 4.954 5.792 -31.321 1.00 54.51 H new ATOM 0 HD1 PHE A 34 7.804 6.161 -33.599 1.00 34.24 H new ATOM 0 HD2 PHE A 34 3.593 6.640 -33.168 1.00 14.20 H new ATOM 0 HE1 PHE A 34 7.580 6.365 -36.036 1.00 53.05 H new ATOM 0 HE2 PHE A 34 3.366 6.845 -35.604 1.00 74.30 H new ATOM 0 HZ PHE A 34 5.360 6.710 -37.045 1.00 14.33 H new ATOM 365 N PHE A 35 5.864 7.010 -28.673 1.00 43.53 N ATOM 366 CA PHE A 35 5.223 6.967 -27.364 1.00 60.13 C ATOM 367 C PHE A 35 4.914 8.375 -26.863 1.00 20.51 C ATOM 368 O PHE A 35 3.771 8.690 -26.531 1.00 43.13 O ATOM 369 CB PHE A 35 6.118 6.240 -26.358 1.00 71.04 C ATOM 370 CG PHE A 35 5.664 4.841 -26.054 1.00 23.10 C ATOM 371 CD1 PHE A 35 4.541 4.617 -25.274 1.00 23.20 C ATOM 372 CD2 PHE A 35 6.361 3.750 -26.547 1.00 62.34 C ATOM 373 CE1 PHE A 35 4.121 3.331 -24.992 1.00 72.52 C ATOM 374 CE2 PHE A 35 5.945 2.461 -26.269 1.00 43.34 C ATOM 375 CZ PHE A 35 4.825 2.251 -25.490 1.00 15.51 C ATOM 0 H PHE A 35 6.763 6.530 -28.718 1.00 43.53 H new ATOM 0 HA PHE A 35 4.284 6.422 -27.464 1.00 60.13 H new ATOM 0 HB2 PHE A 35 7.136 6.207 -26.747 1.00 71.04 H new ATOM 0 HB3 PHE A 35 6.149 6.813 -25.431 1.00 71.04 H new ATOM 0 HD1 PHE A 35 3.987 5.457 -24.882 1.00 23.20 H new ATOM 0 HD2 PHE A 35 7.239 3.908 -27.155 1.00 62.34 H new ATOM 0 HE1 PHE A 35 3.244 3.170 -24.383 1.00 72.52 H new ATOM 0 HE2 PHE A 35 6.496 1.619 -26.661 1.00 43.34 H new ATOM 0 HZ PHE A 35 4.500 1.245 -25.270 1.00 15.51 H new ATOM 385 N SER A 36 5.941 9.216 -26.810 1.00 4.21 N ATOM 386 CA SER A 36 5.782 10.589 -26.345 1.00 13.00 C ATOM 387 C SER A 36 4.798 11.351 -27.228 1.00 32.41 C ATOM 388 O SER A 36 4.066 12.221 -26.755 1.00 60.25 O ATOM 389 CB SER A 36 7.133 11.306 -26.332 1.00 22.11 C ATOM 390 OG SER A 36 7.926 10.880 -25.237 1.00 14.42 O ATOM 0 H SER A 36 6.893 8.971 -27.083 1.00 4.21 H new ATOM 0 HA SER A 36 5.385 10.559 -25.330 1.00 13.00 H new ATOM 0 HB2 SER A 36 7.661 11.110 -27.265 1.00 22.11 H new ATOM 0 HB3 SER A 36 6.976 12.383 -26.274 1.00 22.11 H new ATOM 0 HG SER A 36 8.785 11.352 -25.252 1.00 14.42 H new ATOM 396 N LYS A 37 4.786 11.017 -28.514 1.00 32.31 N ATOM 397 CA LYS A 37 3.892 11.666 -29.465 1.00 42.53 C ATOM 398 C LYS A 37 2.434 11.479 -29.058 1.00 3.35 C ATOM 399 O LYS A 37 1.610 12.377 -29.234 1.00 32.14 O ATOM 400 CB LYS A 37 4.116 11.105 -30.871 1.00 54.34 C ATOM 401 CG LYS A 37 3.770 12.085 -31.979 1.00 53.03 C ATOM 402 CD LYS A 37 3.470 11.367 -33.285 1.00 13.53 C ATOM 403 CE LYS A 37 4.747 10.960 -34.003 1.00 51.21 C ATOM 404 NZ LYS A 37 5.325 12.086 -34.788 1.00 72.13 N ATOM 0 H LYS A 37 5.386 10.300 -28.922 1.00 32.31 H new ATOM 0 HA LYS A 37 4.116 12.733 -29.466 1.00 42.53 H new ATOM 0 HB2 LYS A 37 5.160 10.808 -30.973 1.00 54.34 H new ATOM 0 HB3 LYS A 37 3.515 10.204 -30.994 1.00 54.34 H new ATOM 0 HG2 LYS A 37 2.906 12.680 -31.683 1.00 53.03 H new ATOM 0 HG3 LYS A 37 4.599 12.778 -32.125 1.00 53.03 H new ATOM 0 HD2 LYS A 37 2.866 10.482 -33.085 1.00 13.53 H new ATOM 0 HD3 LYS A 37 2.879 12.016 -33.931 1.00 13.53 H new ATOM 0 HE2 LYS A 37 5.479 10.613 -33.274 1.00 51.21 H new ATOM 0 HE3 LYS A 37 4.538 10.123 -34.669 1.00 51.21 H new ATOM 0 HZ1 LYS A 37 6.194 11.768 -35.262 1.00 72.13 H new ATOM 0 HZ2 LYS A 37 4.637 12.401 -35.501 1.00 72.13 H new ATOM 0 HZ3 LYS A 37 5.548 12.876 -34.149 1.00 72.13 H new ATOM 418 N HIS A 38 2.123 10.308 -28.511 1.00 1.45 N ATOM 419 CA HIS A 38 0.764 10.005 -28.076 1.00 24.24 C ATOM 420 C HIS A 38 0.777 9.109 -26.840 1.00 53.24 C ATOM 421 O HIS A 38 1.167 7.945 -26.910 1.00 23.34 O ATOM 422 CB HIS A 38 -0.015 9.328 -29.203 1.00 73.41 C ATOM 423 CG HIS A 38 -1.493 9.279 -28.964 1.00 51.34 C ATOM 424 ND1 HIS A 38 -2.324 10.362 -29.165 1.00 24.32 N ATOM 425 CD2 HIS A 38 -2.289 8.270 -28.541 1.00 70.42 C ATOM 426 CE1 HIS A 38 -3.566 10.020 -28.873 1.00 51.55 C ATOM 427 NE2 HIS A 38 -3.572 8.756 -28.493 1.00 34.32 N ATOM 0 H HIS A 38 2.793 9.554 -28.359 1.00 1.45 H new ATOM 0 HA HIS A 38 0.273 10.943 -27.818 1.00 24.24 H new ATOM 0 HB2 HIS A 38 0.177 9.859 -30.136 1.00 73.41 H new ATOM 0 HB3 HIS A 38 0.358 8.312 -29.332 1.00 73.41 H new ATOM 0 HD2 HIS A 38 -1.974 7.268 -28.288 1.00 70.42 H new ATOM 0 HE1 HIS A 38 -4.430 10.665 -28.935 1.00 51.55 H new ATOM 0 HE2 HIS A 38 -4.396 8.226 -28.210 1.00 34.32 H new ATOM 435 N GLY A 39 0.347 9.662 -25.710 1.00 73.10 N ATOM 436 CA GLY A 39 0.317 8.899 -24.476 1.00 5.33 C ATOM 437 C GLY A 39 1.535 9.153 -23.609 1.00 33.33 C ATOM 438 O GLY A 39 2.658 9.229 -24.108 1.00 70.50 O ATOM 0 H GLY A 39 0.019 10.624 -25.627 1.00 73.10 H new ATOM 0 HA2 GLY A 39 -0.583 9.154 -23.917 1.00 5.33 H new ATOM 0 HA3 GLY A 39 0.257 7.836 -24.711 1.00 5.33 H new ATOM 442 N THR A 40 1.313 9.286 -22.305 1.00 3.15 N ATOM 443 CA THR A 40 2.400 9.535 -21.366 1.00 43.53 C ATOM 444 C THR A 40 2.669 8.311 -20.499 1.00 4.33 C ATOM 445 O THR A 40 1.824 7.906 -19.700 1.00 65.35 O ATOM 446 CB THR A 40 2.091 10.738 -20.455 1.00 42.43 C ATOM 447 OG1 THR A 40 1.572 11.822 -21.234 1.00 52.01 O ATOM 448 CG2 THR A 40 3.341 11.192 -19.715 1.00 54.15 C ATOM 0 H THR A 40 0.390 9.225 -21.875 1.00 3.15 H new ATOM 0 HA THR A 40 3.286 9.757 -21.960 1.00 43.53 H new ATOM 0 HB THR A 40 1.346 10.428 -19.722 1.00 42.43 H new ATOM 0 HG1 THR A 40 1.376 12.582 -20.647 1.00 52.01 H new ATOM 0 HG21 THR A 40 3.098 12.043 -19.078 1.00 54.15 H new ATOM 0 HG22 THR A 40 3.717 10.374 -19.100 1.00 54.15 H new ATOM 0 HG23 THR A 40 4.104 11.485 -20.436 1.00 54.15 H new ATOM 456 N VAL A 41 3.852 7.726 -20.659 1.00 42.23 N ATOM 457 CA VAL A 41 4.233 6.549 -19.889 1.00 25.32 C ATOM 458 C VAL A 41 5.376 6.865 -18.930 1.00 41.34 C ATOM 459 O VAL A 41 6.280 7.633 -19.259 1.00 54.35 O ATOM 460 CB VAL A 41 4.657 5.388 -20.809 1.00 54.52 C ATOM 461 CG1 VAL A 41 3.500 4.967 -21.703 1.00 45.14 C ATOM 462 CG2 VAL A 41 5.868 5.783 -21.640 1.00 50.05 C ATOM 0 H VAL A 41 4.563 8.049 -21.315 1.00 42.23 H new ATOM 0 HA VAL A 41 3.355 6.248 -19.318 1.00 25.32 H new ATOM 0 HB VAL A 41 4.934 4.536 -20.188 1.00 54.52 H new ATOM 0 HG11 VAL A 41 3.817 4.146 -22.346 1.00 45.14 H new ATOM 0 HG12 VAL A 41 2.663 4.642 -21.086 1.00 45.14 H new ATOM 0 HG13 VAL A 41 3.190 5.811 -22.319 1.00 45.14 H new ATOM 0 HG21 VAL A 41 6.154 4.952 -22.284 1.00 50.05 H new ATOM 0 HG22 VAL A 41 5.621 6.649 -22.254 1.00 50.05 H new ATOM 0 HG23 VAL A 41 6.698 6.032 -20.978 1.00 50.05 H new ATOM 472 N GLN A 42 5.329 6.268 -17.744 1.00 60.32 N ATOM 473 CA GLN A 42 6.361 6.487 -16.738 1.00 20.44 C ATOM 474 C GLN A 42 7.672 5.823 -17.148 1.00 55.44 C ATOM 475 O GLN A 42 8.705 6.482 -17.254 1.00 44.41 O ATOM 476 CB GLN A 42 5.904 5.944 -15.382 1.00 42.42 C ATOM 477 CG GLN A 42 6.648 6.550 -14.203 1.00 15.43 C ATOM 478 CD GLN A 42 7.116 5.506 -13.209 1.00 31.20 C ATOM 479 OE1 GLN A 42 8.207 4.951 -13.342 1.00 4.34 O ATOM 480 NE2 GLN A 42 6.291 5.231 -12.205 1.00 41.32 N ATOM 0 H GLN A 42 4.588 5.629 -17.456 1.00 60.32 H new ATOM 0 HA GLN A 42 6.529 7.561 -16.655 1.00 20.44 H new ATOM 0 HB2 GLN A 42 4.837 6.134 -15.264 1.00 42.42 H new ATOM 0 HB3 GLN A 42 6.038 4.862 -15.369 1.00 42.42 H new ATOM 0 HG2 GLN A 42 7.509 7.108 -14.570 1.00 15.43 H new ATOM 0 HG3 GLN A 42 5.998 7.263 -13.696 1.00 15.43 H new ATOM 0 HE21 GLN A 42 5.396 5.715 -12.133 1.00 41.32 H new ATOM 0 HE22 GLN A 42 6.552 4.536 -11.506 1.00 41.32 H new ATOM 489 N ALA A 43 7.620 4.515 -17.378 1.00 44.53 N ATOM 490 CA ALA A 43 8.803 3.764 -17.779 1.00 61.51 C ATOM 491 C ALA A 43 8.417 2.463 -18.475 1.00 51.04 C ATOM 492 O ALA A 43 7.269 2.025 -18.402 1.00 32.33 O ATOM 493 CB ALA A 43 9.681 3.477 -16.570 1.00 31.41 C ATOM 0 H ALA A 43 6.772 3.954 -17.294 1.00 44.53 H new ATOM 0 HA ALA A 43 9.366 4.372 -18.487 1.00 61.51 H new ATOM 0 HB1 ALA A 43 10.561 2.916 -16.884 1.00 31.41 H new ATOM 0 HB2 ALA A 43 9.994 4.417 -16.116 1.00 31.41 H new ATOM 0 HB3 ALA A 43 9.118 2.892 -15.842 1.00 31.41 H new ATOM 499 N VAL A 44 9.383 1.850 -19.152 1.00 52.03 N ATOM 500 CA VAL A 44 9.144 0.599 -19.862 1.00 32.01 C ATOM 501 C VAL A 44 10.368 -0.308 -19.804 1.00 34.20 C ATOM 502 O VAL A 44 11.504 0.163 -19.836 1.00 43.33 O ATOM 503 CB VAL A 44 8.775 0.851 -21.336 1.00 12.42 C ATOM 504 CG1 VAL A 44 9.865 1.654 -22.030 1.00 20.25 C ATOM 505 CG2 VAL A 44 8.530 -0.466 -22.056 1.00 43.25 C ATOM 0 H VAL A 44 10.339 2.200 -19.224 1.00 52.03 H new ATOM 0 HA VAL A 44 8.307 0.108 -19.365 1.00 32.01 H new ATOM 0 HB VAL A 44 7.854 1.433 -21.368 1.00 12.42 H new ATOM 0 HG11 VAL A 44 9.587 1.822 -23.070 1.00 20.25 H new ATOM 0 HG12 VAL A 44 9.986 2.613 -21.527 1.00 20.25 H new ATOM 0 HG13 VAL A 44 10.804 1.102 -21.990 1.00 20.25 H new ATOM 0 HG21 VAL A 44 8.270 -0.269 -23.096 1.00 43.25 H new ATOM 0 HG22 VAL A 44 9.433 -1.076 -22.016 1.00 43.25 H new ATOM 0 HG23 VAL A 44 7.711 -0.998 -21.572 1.00 43.25 H new ATOM 515 N TRP A 45 10.127 -1.611 -19.719 1.00 22.53 N ATOM 516 CA TRP A 45 11.211 -2.586 -19.657 1.00 13.13 C ATOM 517 C TRP A 45 10.714 -3.977 -20.032 1.00 74.52 C ATOM 518 O TRP A 45 9.509 -4.210 -20.134 1.00 12.44 O ATOM 519 CB TRP A 45 11.823 -2.610 -18.255 1.00 74.41 C ATOM 520 CG TRP A 45 13.245 -3.084 -18.236 1.00 15.12 C ATOM 521 CD1 TRP A 45 13.713 -4.251 -17.703 1.00 14.11 C ATOM 522 CD2 TRP A 45 14.383 -2.400 -18.772 1.00 33.24 C ATOM 523 NE1 TRP A 45 15.073 -4.334 -17.875 1.00 43.11 N ATOM 524 CE2 TRP A 45 15.508 -3.211 -18.529 1.00 23.52 C ATOM 525 CE3 TRP A 45 14.560 -1.183 -19.434 1.00 43.15 C ATOM 526 CZ2 TRP A 45 16.791 -2.842 -18.925 1.00 30.21 C ATOM 527 CZ3 TRP A 45 15.834 -0.818 -19.827 1.00 10.33 C ATOM 528 CH2 TRP A 45 16.936 -1.645 -19.572 1.00 32.11 C ATOM 0 H TRP A 45 9.192 -2.017 -19.691 1.00 22.53 H new ATOM 0 HA TRP A 45 11.976 -2.288 -20.375 1.00 13.13 H new ATOM 0 HB2 TRP A 45 11.776 -1.608 -17.828 1.00 74.41 H new ATOM 0 HB3 TRP A 45 11.223 -3.257 -17.615 1.00 74.41 H new ATOM 0 HD1 TRP A 45 13.103 -4.999 -17.218 1.00 14.11 H new ATOM 0 HE1 TRP A 45 15.664 -5.106 -17.566 1.00 43.11 H new ATOM 0 HE3 TRP A 45 13.717 -0.539 -19.635 1.00 43.15 H new ATOM 0 HZ2 TRP A 45 17.641 -3.478 -18.728 1.00 30.21 H new ATOM 0 HZ3 TRP A 45 15.983 0.121 -20.340 1.00 10.33 H new ATOM 0 HH2 TRP A 45 17.919 -1.332 -19.892 1.00 32.11 H new ATOM 539 N ARG A 46 11.648 -4.900 -20.237 1.00 42.22 N ATOM 540 CA ARG A 46 11.304 -6.268 -20.603 1.00 33.54 C ATOM 541 C ARG A 46 12.444 -7.225 -20.264 1.00 54.23 C ATOM 542 O ARG A 46 13.618 -6.876 -20.389 1.00 14.42 O ATOM 543 CB ARG A 46 10.978 -6.354 -22.095 1.00 31.02 C ATOM 544 CG ARG A 46 12.094 -5.845 -22.992 1.00 42.01 C ATOM 545 CD ARG A 46 11.942 -4.360 -23.282 1.00 43.03 C ATOM 546 NE ARG A 46 11.463 -4.114 -24.640 1.00 12.34 N ATOM 547 CZ ARG A 46 12.239 -4.178 -25.716 1.00 15.40 C ATOM 548 NH1 ARG A 46 13.524 -4.479 -25.594 1.00 10.31 N ATOM 549 NH2 ARG A 46 11.729 -3.940 -26.918 1.00 34.52 N ATOM 0 H ARG A 46 12.650 -4.725 -20.156 1.00 42.22 H new ATOM 0 HA ARG A 46 10.424 -6.560 -20.029 1.00 33.54 H new ATOM 0 HB2 ARG A 46 10.761 -7.391 -22.352 1.00 31.02 H new ATOM 0 HB3 ARG A 46 10.073 -5.780 -22.294 1.00 31.02 H new ATOM 0 HG2 ARG A 46 13.057 -6.027 -22.515 1.00 42.01 H new ATOM 0 HG3 ARG A 46 12.092 -6.402 -23.929 1.00 42.01 H new ATOM 0 HD2 ARG A 46 11.247 -3.920 -22.567 1.00 43.03 H new ATOM 0 HD3 ARG A 46 12.902 -3.863 -23.140 1.00 43.03 H new ATOM 0 HE ARG A 46 10.479 -3.880 -24.769 1.00 12.34 H new ATOM 0 HH11 ARG A 46 13.920 -4.662 -24.672 1.00 10.31 H new ATOM 0 HH12 ARG A 46 14.117 -4.527 -26.422 1.00 10.31 H new ATOM 0 HH21 ARG A 46 10.741 -3.708 -27.016 1.00 34.52 H new ATOM 0 HH22 ARG A 46 12.325 -3.989 -27.744 1.00 34.52 H new ATOM 563 N ARG A 47 12.089 -8.432 -19.836 1.00 1.34 N ATOM 564 CA ARG A 47 13.082 -9.438 -19.478 1.00 11.53 C ATOM 565 C ARG A 47 12.568 -10.841 -19.784 1.00 25.41 C ATOM 566 O ARG A 47 11.370 -11.047 -19.975 1.00 34.01 O ATOM 567 CB ARG A 47 13.440 -9.326 -17.995 1.00 22.14 C ATOM 568 CG ARG A 47 12.263 -9.565 -17.064 1.00 35.41 C ATOM 569 CD ARG A 47 11.746 -8.263 -16.473 1.00 30.01 C ATOM 570 NE ARG A 47 12.725 -7.638 -15.588 1.00 13.54 N ATOM 571 CZ ARG A 47 12.444 -6.614 -14.788 1.00 63.32 C ATOM 572 NH1 ARG A 47 11.221 -6.104 -14.763 1.00 34.50 N ATOM 573 NH2 ARG A 47 13.389 -6.099 -14.011 1.00 71.45 N ATOM 0 H ARG A 47 11.122 -8.737 -19.729 1.00 1.34 H new ATOM 0 HA ARG A 47 13.976 -9.259 -20.075 1.00 11.53 H new ATOM 0 HB2 ARG A 47 14.226 -10.045 -17.765 1.00 22.14 H new ATOM 0 HB3 ARG A 47 13.849 -8.334 -17.803 1.00 22.14 H new ATOM 0 HG2 ARG A 47 11.461 -10.062 -17.610 1.00 35.41 H new ATOM 0 HG3 ARG A 47 12.564 -10.236 -16.260 1.00 35.41 H new ATOM 0 HD2 ARG A 47 11.494 -7.574 -17.279 1.00 30.01 H new ATOM 0 HD3 ARG A 47 10.827 -8.456 -15.919 1.00 30.01 H new ATOM 0 HE ARG A 47 13.676 -8.007 -15.583 1.00 13.54 H new ATOM 0 HH11 ARG A 47 10.492 -6.497 -15.359 1.00 34.50 H new ATOM 0 HH12 ARG A 47 11.009 -5.318 -14.148 1.00 34.50 H new ATOM 0 HH21 ARG A 47 14.331 -6.489 -14.028 1.00 71.45 H new ATOM 0 HH22 ARG A 47 13.173 -5.313 -13.397 1.00 71.45 H new ATOM 587 N TYR A 48 13.483 -11.803 -19.829 1.00 64.34 N ATOM 588 CA TYR A 48 13.124 -13.187 -20.115 1.00 71.23 C ATOM 589 C TYR A 48 13.981 -14.152 -19.301 1.00 52.04 C ATOM 590 O TYR A 48 15.205 -14.174 -19.431 1.00 71.41 O ATOM 591 CB TYR A 48 13.284 -13.480 -21.608 1.00 44.20 C ATOM 592 CG TYR A 48 14.675 -13.204 -22.133 1.00 23.20 C ATOM 593 CD1 TYR A 48 15.590 -14.236 -22.309 1.00 13.34 C ATOM 594 CD2 TYR A 48 15.076 -11.913 -22.452 1.00 54.34 C ATOM 595 CE1 TYR A 48 16.862 -13.989 -22.787 1.00 51.32 C ATOM 596 CE2 TYR A 48 16.345 -11.657 -22.933 1.00 1.40 C ATOM 597 CZ TYR A 48 17.235 -12.698 -23.098 1.00 54.35 C ATOM 598 OH TYR A 48 18.501 -12.447 -23.576 1.00 14.54 O ATOM 0 H TYR A 48 14.479 -11.650 -19.671 1.00 64.34 H new ATOM 0 HA TYR A 48 12.081 -13.330 -19.833 1.00 71.23 H new ATOM 0 HB2 TYR A 48 13.035 -14.525 -21.793 1.00 44.20 H new ATOM 0 HB3 TYR A 48 12.568 -12.878 -22.167 1.00 44.20 H new ATOM 0 HD1 TYR A 48 15.301 -15.248 -22.068 1.00 13.34 H new ATOM 0 HD2 TYR A 48 14.383 -11.095 -22.322 1.00 54.34 H new ATOM 0 HE1 TYR A 48 17.561 -14.802 -22.917 1.00 51.32 H new ATOM 0 HE2 TYR A 48 16.639 -10.647 -23.179 1.00 1.40 H new ATOM 0 HH TYR A 48 18.602 -11.487 -23.747 1.00 14.54 H new ATOM 608 N PHE A 49 13.328 -14.949 -18.462 1.00 11.10 N ATOM 609 CA PHE A 49 14.028 -15.917 -17.626 1.00 4.43 C ATOM 610 C PHE A 49 14.317 -17.198 -18.402 1.00 33.31 C ATOM 611 O PHE A 49 13.399 -17.885 -18.851 1.00 0.54 O ATOM 612 CB PHE A 49 13.202 -16.237 -16.378 1.00 70.35 C ATOM 613 CG PHE A 49 13.614 -15.449 -15.168 1.00 34.42 C ATOM 614 CD1 PHE A 49 13.598 -14.064 -15.188 1.00 73.10 C ATOM 615 CD2 PHE A 49 14.017 -16.094 -14.010 1.00 31.14 C ATOM 616 CE1 PHE A 49 13.975 -13.336 -14.076 1.00 5.15 C ATOM 617 CE2 PHE A 49 14.395 -15.371 -12.894 1.00 24.41 C ATOM 618 CZ PHE A 49 14.376 -13.991 -12.927 1.00 52.33 C ATOM 0 H PHE A 49 12.315 -14.944 -18.343 1.00 11.10 H new ATOM 0 HA PHE A 49 14.977 -15.477 -17.321 1.00 4.43 H new ATOM 0 HB2 PHE A 49 12.150 -16.042 -16.588 1.00 70.35 H new ATOM 0 HB3 PHE A 49 13.290 -17.301 -16.156 1.00 70.35 H new ATOM 0 HD1 PHE A 49 13.287 -13.547 -16.084 1.00 73.10 H new ATOM 0 HD2 PHE A 49 14.036 -17.173 -13.979 1.00 31.14 H new ATOM 0 HE1 PHE A 49 13.956 -12.257 -14.105 1.00 5.15 H new ATOM 0 HE2 PHE A 49 14.705 -15.886 -11.997 1.00 24.41 H new ATOM 0 HZ PHE A 49 14.674 -13.425 -12.057 1.00 52.33 H new ATOM 628 N ALA A 50 15.598 -17.514 -18.556 1.00 44.22 N ATOM 629 CA ALA A 50 16.009 -18.713 -19.276 1.00 54.14 C ATOM 630 C ALA A 50 15.866 -19.954 -18.402 1.00 71.12 C ATOM 631 O ALA A 50 15.579 -21.044 -18.896 1.00 51.42 O ATOM 632 CB ALA A 50 17.443 -18.571 -19.764 1.00 53.34 C ATOM 0 H ALA A 50 16.370 -16.956 -18.191 1.00 44.22 H new ATOM 0 HA ALA A 50 15.354 -18.831 -20.139 1.00 54.14 H new ATOM 0 HB1 ALA A 50 17.736 -19.474 -20.300 1.00 53.34 H new ATOM 0 HB2 ALA A 50 17.517 -17.713 -20.432 1.00 53.34 H new ATOM 0 HB3 ALA A 50 18.105 -18.425 -18.911 1.00 53.34 H new ATOM 638 N GLY A 51 16.069 -19.782 -17.099 1.00 41.44 N ATOM 639 CA GLY A 51 15.959 -20.897 -16.177 1.00 43.05 C ATOM 640 C GLY A 51 17.267 -21.647 -16.016 1.00 51.42 C ATOM 641 O GLY A 51 17.699 -22.358 -16.923 1.00 25.42 O ATOM 0 H GLY A 51 16.308 -18.890 -16.666 1.00 41.44 H new ATOM 0 HA2 GLY A 51 15.632 -20.529 -15.204 1.00 43.05 H new ATOM 0 HA3 GLY A 51 15.191 -21.584 -16.532 1.00 43.05 H new ATOM 645 N LYS A 52 17.900 -21.486 -14.859 1.00 61.31 N ATOM 646 CA LYS A 52 19.167 -22.153 -14.581 1.00 13.33 C ATOM 647 C LYS A 52 19.176 -22.737 -13.172 1.00 1.33 C ATOM 648 O LYS A 52 20.058 -22.433 -12.368 1.00 62.12 O ATOM 649 CB LYS A 52 20.330 -21.172 -14.745 1.00 53.24 C ATOM 650 CG LYS A 52 20.294 -20.400 -16.053 1.00 62.33 C ATOM 651 CD LYS A 52 19.776 -18.986 -15.853 1.00 31.14 C ATOM 652 CE LYS A 52 20.481 -17.999 -16.770 1.00 53.31 C ATOM 653 NZ LYS A 52 21.672 -17.388 -16.118 1.00 21.44 N ATOM 0 H LYS A 52 17.557 -20.899 -14.098 1.00 61.31 H new ATOM 0 HA LYS A 52 19.284 -22.969 -15.295 1.00 13.33 H new ATOM 0 HB2 LYS A 52 20.318 -20.465 -13.915 1.00 53.24 H new ATOM 0 HB3 LYS A 52 21.269 -21.721 -14.683 1.00 53.24 H new ATOM 0 HG2 LYS A 52 21.295 -20.364 -16.483 1.00 62.33 H new ATOM 0 HG3 LYS A 52 19.659 -20.923 -16.768 1.00 62.33 H new ATOM 0 HD2 LYS A 52 18.703 -18.960 -16.045 1.00 31.14 H new ATOM 0 HD3 LYS A 52 19.922 -18.688 -14.815 1.00 31.14 H new ATOM 0 HE2 LYS A 52 20.788 -18.508 -17.683 1.00 53.31 H new ATOM 0 HE3 LYS A 52 19.784 -17.213 -17.062 1.00 53.31 H new ATOM 0 HZ1 LYS A 52 22.124 -16.721 -16.776 1.00 21.44 H new ATOM 0 HZ2 LYS A 52 21.376 -16.880 -15.260 1.00 21.44 H new ATOM 0 HZ3 LYS A 52 22.349 -18.135 -15.862 1.00 21.44 H new ATOM 667 N LYS A 53 18.190 -23.578 -12.878 1.00 41.41 N ATOM 668 CA LYS A 53 18.086 -24.207 -11.567 1.00 74.21 C ATOM 669 C LYS A 53 17.377 -25.554 -11.665 1.00 75.13 C ATOM 670 O LYS A 53 16.944 -25.961 -12.743 1.00 75.25 O ATOM 671 CB LYS A 53 17.334 -23.292 -10.598 1.00 34.42 C ATOM 672 CG LYS A 53 15.871 -23.095 -10.959 1.00 5.54 C ATOM 673 CD LYS A 53 15.599 -21.673 -11.422 1.00 32.24 C ATOM 674 CE LYS A 53 14.344 -21.597 -12.278 1.00 11.14 C ATOM 675 NZ LYS A 53 13.289 -20.759 -11.642 1.00 63.04 N ATOM 0 H LYS A 53 17.451 -23.840 -13.531 1.00 41.41 H new ATOM 0 HA LYS A 53 19.095 -24.374 -11.190 1.00 74.21 H new ATOM 0 HB2 LYS A 53 17.399 -23.709 -9.593 1.00 34.42 H new ATOM 0 HB3 LYS A 53 17.827 -22.320 -10.572 1.00 34.42 H new ATOM 0 HG2 LYS A 53 15.592 -23.795 -11.747 1.00 5.54 H new ATOM 0 HG3 LYS A 53 15.248 -23.323 -10.094 1.00 5.54 H new ATOM 0 HD2 LYS A 53 15.490 -21.021 -10.555 1.00 32.24 H new ATOM 0 HD3 LYS A 53 16.452 -21.305 -11.992 1.00 32.24 H new ATOM 0 HE2 LYS A 53 14.595 -21.185 -13.255 1.00 11.14 H new ATOM 0 HE3 LYS A 53 13.957 -22.602 -12.446 1.00 11.14 H new ATOM 0 HZ1 LYS A 53 12.450 -20.732 -12.256 1.00 63.04 H new ATOM 0 HZ2 LYS A 53 13.031 -21.166 -10.721 1.00 63.04 H new ATOM 0 HZ3 LYS A 53 13.649 -19.793 -11.505 1.00 63.04 H new ATOM 689 N ASP A 54 17.260 -26.240 -10.534 1.00 23.14 N ATOM 690 CA ASP A 54 16.601 -27.540 -10.492 1.00 21.21 C ATOM 691 C ASP A 54 15.173 -27.409 -9.971 1.00 24.22 C ATOM 692 O ASP A 54 14.636 -28.336 -9.365 1.00 12.30 O ATOM 693 CB ASP A 54 17.392 -28.509 -9.611 1.00 51.21 C ATOM 694 CG ASP A 54 16.915 -29.941 -9.752 1.00 52.14 C ATOM 695 OD1 ASP A 54 16.210 -30.424 -8.842 1.00 21.55 O ATOM 696 OD2 ASP A 54 17.245 -30.578 -10.774 1.00 44.11 O ATOM 0 H ASP A 54 17.613 -25.917 -9.633 1.00 23.14 H new ATOM 0 HA ASP A 54 16.563 -27.933 -11.508 1.00 21.21 H new ATOM 0 HB2 ASP A 54 18.449 -28.454 -9.873 1.00 51.21 H new ATOM 0 HB3 ASP A 54 17.305 -28.201 -8.569 1.00 51.21 H new ATOM 701 N ALA A 55 14.565 -26.252 -10.210 1.00 5.21 N ATOM 702 CA ALA A 55 13.200 -26.000 -9.766 1.00 3.24 C ATOM 703 C ALA A 55 12.265 -25.796 -10.953 1.00 4.11 C ATOM 704 O ALA A 55 12.694 -25.497 -12.068 1.00 25.24 O ATOM 705 CB ALA A 55 13.160 -24.789 -8.845 1.00 52.24 C ATOM 0 H ALA A 55 14.997 -25.474 -10.709 1.00 5.21 H new ATOM 0 HA ALA A 55 12.857 -26.875 -9.213 1.00 3.24 H new ATOM 0 HB1 ALA A 55 12.134 -24.612 -8.521 1.00 52.24 H new ATOM 0 HB2 ALA A 55 13.789 -24.973 -7.974 1.00 52.24 H new ATOM 0 HB3 ALA A 55 13.528 -23.913 -9.379 1.00 52.24 H new ATOM 711 N PRO A 56 10.956 -25.961 -10.712 1.00 24.14 N ATOM 712 CA PRO A 56 9.934 -25.800 -11.749 1.00 74.03 C ATOM 713 C PRO A 56 9.770 -24.347 -12.182 1.00 4.11 C ATOM 714 O PRO A 56 10.274 -23.423 -11.542 1.00 63.43 O ATOM 715 CB PRO A 56 8.657 -26.302 -11.070 1.00 61.42 C ATOM 716 CG PRO A 56 8.900 -26.104 -9.614 1.00 32.52 C ATOM 717 CD PRO A 56 10.374 -26.317 -9.407 1.00 31.41 C ATOM 0 HA PRO A 56 10.190 -26.341 -12.660 1.00 74.03 H new ATOM 0 HB2 PRO A 56 7.784 -25.742 -11.405 1.00 61.42 H new ATOM 0 HB3 PRO A 56 8.471 -27.351 -11.301 1.00 61.42 H new ATOM 0 HG2 PRO A 56 8.603 -25.103 -9.301 1.00 32.52 H new ATOM 0 HG3 PRO A 56 8.317 -26.809 -9.022 1.00 32.52 H new ATOM 0 HD2 PRO A 56 10.763 -25.686 -8.608 1.00 31.41 H new ATOM 0 HD3 PRO A 56 10.597 -27.349 -9.136 1.00 31.41 H new ATOM 725 N PRO A 57 9.050 -24.137 -13.293 1.00 55.13 N ATOM 726 CA PRO A 57 8.803 -22.797 -13.835 1.00 74.43 C ATOM 727 C PRO A 57 7.864 -21.979 -12.954 1.00 64.53 C ATOM 728 O PRO A 57 6.649 -22.168 -12.985 1.00 31.13 O ATOM 729 CB PRO A 57 8.153 -23.078 -15.192 1.00 74.24 C ATOM 730 CG PRO A 57 7.528 -24.423 -15.043 1.00 4.54 C ATOM 731 CD PRO A 57 8.419 -25.191 -14.106 1.00 45.21 C ATOM 0 HA PRO A 57 9.718 -22.208 -13.899 1.00 74.43 H new ATOM 0 HB2 PRO A 57 7.409 -22.321 -15.438 1.00 74.24 H new ATOM 0 HB3 PRO A 57 8.892 -23.072 -15.993 1.00 74.24 H new ATOM 0 HG2 PRO A 57 6.518 -24.342 -14.642 1.00 4.54 H new ATOM 0 HG3 PRO A 57 7.449 -24.926 -16.007 1.00 4.54 H new ATOM 0 HD2 PRO A 57 7.849 -25.887 -13.490 1.00 45.21 H new ATOM 0 HD3 PRO A 57 9.160 -25.778 -14.648 1.00 45.21 H new ATOM 739 N GLU A 58 8.437 -21.071 -12.171 1.00 44.22 N ATOM 740 CA GLU A 58 7.651 -20.225 -11.282 1.00 15.34 C ATOM 741 C GLU A 58 7.378 -18.867 -11.922 1.00 50.24 C ATOM 742 O GLU A 58 6.250 -18.375 -11.903 1.00 51.41 O ATOM 743 CB GLU A 58 8.376 -20.035 -9.948 1.00 21.11 C ATOM 744 CG GLU A 58 7.476 -19.531 -8.832 1.00 24.52 C ATOM 745 CD GLU A 58 6.528 -20.598 -8.321 1.00 32.42 C ATOM 746 OE1 GLU A 58 6.738 -21.086 -7.190 1.00 62.24 O ATOM 747 OE2 GLU A 58 5.576 -20.946 -9.050 1.00 51.44 O ATOM 0 H GLU A 58 9.442 -20.903 -12.134 1.00 44.22 H new ATOM 0 HA GLU A 58 6.697 -20.721 -11.102 1.00 15.34 H new ATOM 0 HB2 GLU A 58 8.818 -20.984 -9.646 1.00 21.11 H new ATOM 0 HB3 GLU A 58 9.197 -19.331 -10.087 1.00 21.11 H new ATOM 0 HG2 GLU A 58 8.092 -19.172 -8.007 1.00 24.52 H new ATOM 0 HG3 GLU A 58 6.899 -18.680 -9.192 1.00 24.52 H new ATOM 754 N SER A 59 8.420 -18.267 -12.489 1.00 11.30 N ATOM 755 CA SER A 59 8.295 -16.964 -13.132 1.00 11.21 C ATOM 756 C SER A 59 7.761 -17.109 -14.554 1.00 11.43 C ATOM 757 O SER A 59 7.718 -18.209 -15.103 1.00 71.42 O ATOM 758 CB SER A 59 9.648 -16.250 -13.153 1.00 61.34 C ATOM 759 OG SER A 59 10.497 -16.736 -12.128 1.00 63.44 O ATOM 0 H SER A 59 9.360 -18.662 -12.516 1.00 11.30 H new ATOM 0 HA SER A 59 7.587 -16.368 -12.556 1.00 11.21 H new ATOM 0 HB2 SER A 59 10.124 -16.395 -14.123 1.00 61.34 H new ATOM 0 HB3 SER A 59 9.499 -15.178 -13.028 1.00 61.34 H new ATOM 0 HG SER A 59 11.356 -16.265 -12.164 1.00 63.44 H new ATOM 765 N ARG A 60 7.355 -15.989 -15.143 1.00 51.14 N ATOM 766 CA ARG A 60 6.822 -15.990 -16.501 1.00 3.05 C ATOM 767 C ARG A 60 7.801 -15.333 -17.469 1.00 41.12 C ATOM 768 O ARG A 60 8.199 -14.183 -17.283 1.00 3.45 O ATOM 769 CB ARG A 60 5.478 -15.261 -16.544 1.00 41.12 C ATOM 770 CG ARG A 60 4.518 -15.688 -15.446 1.00 53.22 C ATOM 771 CD ARG A 60 4.164 -17.163 -15.558 1.00 1.43 C ATOM 772 NE ARG A 60 3.419 -17.456 -16.779 1.00 43.02 N ATOM 773 CZ ARG A 60 3.244 -18.683 -17.256 1.00 34.31 C ATOM 774 NH1 ARG A 60 3.756 -19.726 -16.617 1.00 42.10 N ATOM 775 NH2 ARG A 60 2.553 -18.870 -18.374 1.00 4.32 N ATOM 0 H ARG A 60 7.385 -15.070 -14.702 1.00 51.14 H new ATOM 0 HA ARG A 60 6.675 -17.026 -16.807 1.00 3.05 H new ATOM 0 HB2 ARG A 60 5.654 -14.188 -16.464 1.00 41.12 H new ATOM 0 HB3 ARG A 60 5.010 -15.436 -17.513 1.00 41.12 H new ATOM 0 HG2 ARG A 60 4.968 -15.494 -14.472 1.00 53.22 H new ATOM 0 HG3 ARG A 60 3.609 -15.089 -15.503 1.00 53.22 H new ATOM 0 HD2 ARG A 60 5.077 -17.757 -15.539 1.00 1.43 H new ATOM 0 HD3 ARG A 60 3.572 -17.461 -14.692 1.00 1.43 H new ATOM 0 HE ARG A 60 3.011 -16.676 -17.294 1.00 43.02 H new ATOM 0 HH11 ARG A 60 4.286 -19.587 -15.757 1.00 42.10 H new ATOM 0 HH12 ARG A 60 3.620 -20.667 -16.986 1.00 42.10 H new ATOM 0 HH21 ARG A 60 2.156 -18.071 -18.868 1.00 4.32 H new ATOM 0 HH22 ARG A 60 2.419 -19.813 -18.739 1.00 4.32 H new ATOM 789 N THR A 61 8.186 -16.072 -18.505 1.00 44.43 N ATOM 790 CA THR A 61 9.119 -15.562 -19.502 1.00 65.33 C ATOM 791 C THR A 61 8.454 -15.444 -20.869 1.00 11.05 C ATOM 792 O THR A 61 8.198 -16.447 -21.535 1.00 52.11 O ATOM 793 CB THR A 61 10.360 -16.467 -19.625 1.00 31.22 C ATOM 794 OG1 THR A 61 11.138 -16.080 -20.763 1.00 21.41 O ATOM 795 CG2 THR A 61 9.954 -17.928 -19.754 1.00 52.55 C ATOM 0 H THR A 61 7.866 -17.025 -18.675 1.00 44.43 H new ATOM 0 HA THR A 61 9.430 -14.573 -19.166 1.00 65.33 H new ATOM 0 HB THR A 61 10.958 -16.351 -18.721 1.00 31.22 H new ATOM 0 HG1 THR A 61 11.926 -16.659 -20.833 1.00 21.41 H new ATOM 0 HG21 THR A 61 10.847 -18.548 -19.839 1.00 52.55 H new ATOM 0 HG22 THR A 61 9.388 -18.227 -18.872 1.00 52.55 H new ATOM 0 HG23 THR A 61 9.336 -18.057 -20.643 1.00 52.55 H new ATOM 803 N LYS A 62 8.176 -14.212 -21.281 1.00 41.14 N ATOM 804 CA LYS A 62 7.542 -13.961 -22.570 1.00 73.10 C ATOM 805 C LYS A 62 8.164 -12.750 -23.256 1.00 44.44 C ATOM 806 O LYS A 62 8.762 -11.883 -22.618 1.00 21.34 O ATOM 807 CB LYS A 62 6.038 -13.740 -22.387 1.00 64.43 C ATOM 808 CG LYS A 62 5.692 -12.877 -21.187 1.00 10.13 C ATOM 809 CD LYS A 62 5.303 -13.722 -19.985 1.00 62.14 C ATOM 810 CE LYS A 62 3.894 -14.276 -20.127 1.00 32.44 C ATOM 811 NZ LYS A 62 3.862 -15.757 -19.969 1.00 14.24 N ATOM 0 H LYS A 62 8.380 -13.371 -20.741 1.00 41.14 H new ATOM 0 HA LYS A 62 7.701 -14.835 -23.201 1.00 73.10 H new ATOM 0 HB2 LYS A 62 5.636 -13.275 -23.287 1.00 64.43 H new ATOM 0 HB3 LYS A 62 5.547 -14.708 -22.282 1.00 64.43 H new ATOM 0 HG2 LYS A 62 6.546 -12.250 -20.931 1.00 10.13 H new ATOM 0 HG3 LYS A 62 4.871 -12.208 -21.444 1.00 10.13 H new ATOM 0 HD2 LYS A 62 6.009 -14.545 -19.873 1.00 62.14 H new ATOM 0 HD3 LYS A 62 5.369 -13.120 -19.079 1.00 62.14 H new ATOM 0 HE2 LYS A 62 3.246 -13.817 -19.380 1.00 32.44 H new ATOM 0 HE3 LYS A 62 3.494 -14.006 -21.105 1.00 32.44 H new ATOM 0 HZ1 LYS A 62 3.738 -16.203 -20.900 1.00 14.24 H new ATOM 0 HZ2 LYS A 62 4.756 -16.080 -19.547 1.00 14.24 H new ATOM 0 HZ3 LYS A 62 3.070 -16.023 -19.349 1.00 14.24 H new ATOM 825 N PRO A 63 8.021 -12.684 -24.588 1.00 62.44 N ATOM 826 CA PRO A 63 8.561 -11.582 -25.390 1.00 22.03 C ATOM 827 C PRO A 63 7.819 -10.272 -25.148 1.00 4.14 C ATOM 828 O PRO A 63 8.327 -9.194 -25.457 1.00 52.03 O ATOM 829 CB PRO A 63 8.354 -12.056 -26.830 1.00 54.24 C ATOM 830 CG PRO A 63 7.211 -13.008 -26.755 1.00 34.41 C ATOM 831 CD PRO A 63 7.321 -13.682 -25.415 1.00 14.31 C ATOM 0 HA PRO A 63 9.601 -11.369 -25.143 1.00 22.03 H new ATOM 0 HB2 PRO A 63 8.130 -11.221 -27.493 1.00 54.24 H new ATOM 0 HB3 PRO A 63 9.249 -12.542 -27.219 1.00 54.24 H new ATOM 0 HG2 PRO A 63 6.260 -12.484 -26.852 1.00 34.41 H new ATOM 0 HG3 PRO A 63 7.257 -13.737 -27.564 1.00 34.41 H new ATOM 0 HD2 PRO A 63 6.340 -13.926 -25.006 1.00 14.31 H new ATOM 0 HD3 PRO A 63 7.881 -14.615 -25.479 1.00 14.31 H new ATOM 839 N SER A 64 6.616 -10.372 -24.592 1.00 21.40 N ATOM 840 CA SER A 64 5.803 -9.195 -24.311 1.00 40.14 C ATOM 841 C SER A 64 6.595 -8.166 -23.511 1.00 44.30 C ATOM 842 O SER A 64 7.527 -8.511 -22.785 1.00 5.24 O ATOM 843 CB SER A 64 4.540 -9.592 -23.544 1.00 43.04 C ATOM 844 OG SER A 64 4.221 -10.956 -23.760 1.00 15.45 O ATOM 0 H SER A 64 6.183 -11.257 -24.327 1.00 21.40 H new ATOM 0 HA SER A 64 5.516 -8.747 -25.262 1.00 40.14 H new ATOM 0 HB2 SER A 64 4.686 -9.414 -22.479 1.00 43.04 H new ATOM 0 HB3 SER A 64 3.706 -8.965 -23.861 1.00 43.04 H new ATOM 0 HG SER A 64 3.411 -11.186 -23.258 1.00 15.45 H new ATOM 850 N VAL A 65 6.218 -6.899 -23.650 1.00 14.21 N ATOM 851 CA VAL A 65 6.891 -5.818 -22.940 1.00 11.01 C ATOM 852 C VAL A 65 6.027 -5.285 -21.803 1.00 35.12 C ATOM 853 O VAL A 65 4.798 -5.291 -21.887 1.00 42.21 O ATOM 854 CB VAL A 65 7.244 -4.657 -23.889 1.00 20.41 C ATOM 855 CG1 VAL A 65 8.260 -5.107 -24.928 1.00 73.20 C ATOM 856 CG2 VAL A 65 5.989 -4.116 -24.557 1.00 44.33 C ATOM 0 H VAL A 65 5.450 -6.596 -24.248 1.00 14.21 H new ATOM 0 HA VAL A 65 7.811 -6.234 -22.529 1.00 11.01 H new ATOM 0 HB VAL A 65 7.691 -3.854 -23.303 1.00 20.41 H new ATOM 0 HG11 VAL A 65 8.497 -4.274 -25.590 1.00 73.20 H new ATOM 0 HG12 VAL A 65 9.168 -5.443 -24.427 1.00 73.20 H new ATOM 0 HG13 VAL A 65 7.844 -5.927 -25.513 1.00 73.20 H new ATOM 0 HG21 VAL A 65 6.256 -3.296 -25.224 1.00 44.33 H new ATOM 0 HG22 VAL A 65 5.511 -4.910 -25.131 1.00 44.33 H new ATOM 0 HG23 VAL A 65 5.299 -3.753 -23.795 1.00 44.33 H new ATOM 866 N PHE A 66 6.676 -4.824 -20.739 1.00 61.30 N ATOM 867 CA PHE A 66 5.967 -4.288 -19.583 1.00 51.44 C ATOM 868 C PHE A 66 6.099 -2.769 -19.521 1.00 43.32 C ATOM 869 O PHE A 66 7.204 -2.228 -19.567 1.00 23.12 O ATOM 870 CB PHE A 66 6.505 -4.911 -18.294 1.00 13.14 C ATOM 871 CG PHE A 66 6.625 -6.407 -18.355 1.00 54.24 C ATOM 872 CD1 PHE A 66 7.868 -7.017 -18.337 1.00 44.20 C ATOM 873 CD2 PHE A 66 5.493 -7.203 -18.432 1.00 62.04 C ATOM 874 CE1 PHE A 66 7.982 -8.393 -18.393 1.00 63.23 C ATOM 875 CE2 PHE A 66 5.601 -8.580 -18.489 1.00 12.35 C ATOM 876 CZ PHE A 66 6.847 -9.176 -18.470 1.00 52.52 C ATOM 0 H PHE A 66 7.692 -4.811 -20.653 1.00 61.30 H new ATOM 0 HA PHE A 66 4.912 -4.540 -19.687 1.00 51.44 H new ATOM 0 HB2 PHE A 66 7.484 -4.485 -18.075 1.00 13.14 H new ATOM 0 HB3 PHE A 66 5.848 -4.641 -17.468 1.00 13.14 H new ATOM 0 HD1 PHE A 66 8.759 -6.410 -18.278 1.00 44.20 H new ATOM 0 HD2 PHE A 66 4.516 -6.743 -18.448 1.00 62.04 H new ATOM 0 HE1 PHE A 66 8.958 -8.856 -18.377 1.00 63.23 H new ATOM 0 HE2 PHE A 66 4.711 -9.190 -18.548 1.00 12.35 H new ATOM 0 HZ PHE A 66 6.933 -10.252 -18.515 1.00 52.52 H new ATOM 886 N VAL A 67 4.964 -2.085 -19.417 1.00 73.54 N ATOM 887 CA VAL A 67 4.951 -0.629 -19.348 1.00 63.14 C ATOM 888 C VAL A 67 4.174 -0.143 -18.130 1.00 62.31 C ATOM 889 O VAL A 67 3.120 -0.685 -17.796 1.00 4.12 O ATOM 890 CB VAL A 67 4.333 -0.012 -20.617 1.00 64.43 C ATOM 891 CG1 VAL A 67 5.224 -0.268 -21.824 1.00 32.43 C ATOM 892 CG2 VAL A 67 2.935 -0.563 -20.850 1.00 73.41 C ATOM 0 H VAL A 67 4.041 -2.517 -19.379 1.00 73.54 H new ATOM 0 HA VAL A 67 5.989 -0.307 -19.265 1.00 63.14 H new ATOM 0 HB VAL A 67 4.255 1.066 -20.475 1.00 64.43 H new ATOM 0 HG11 VAL A 67 4.771 0.175 -22.711 1.00 32.43 H new ATOM 0 HG12 VAL A 67 6.203 0.179 -21.655 1.00 32.43 H new ATOM 0 HG13 VAL A 67 5.336 -1.342 -21.972 1.00 32.43 H new ATOM 0 HG21 VAL A 67 2.513 -0.116 -21.750 1.00 73.41 H new ATOM 0 HG22 VAL A 67 2.986 -1.645 -20.971 1.00 73.41 H new ATOM 0 HG23 VAL A 67 2.302 -0.323 -19.996 1.00 73.41 H new ATOM 902 N VAL A 68 4.701 0.883 -17.469 1.00 63.34 N ATOM 903 CA VAL A 68 4.056 1.444 -16.288 1.00 65.22 C ATOM 904 C VAL A 68 3.704 2.912 -16.499 1.00 44.04 C ATOM 905 O VAL A 68 4.580 3.743 -16.741 1.00 61.01 O ATOM 906 CB VAL A 68 4.956 1.317 -15.044 1.00 74.31 C ATOM 907 CG1 VAL A 68 4.272 1.920 -13.827 1.00 34.22 C ATOM 908 CG2 VAL A 68 5.318 -0.140 -14.796 1.00 13.25 C ATOM 0 H VAL A 68 5.573 1.342 -17.732 1.00 63.34 H new ATOM 0 HA VAL A 68 3.141 0.874 -16.126 1.00 65.22 H new ATOM 0 HB VAL A 68 5.877 1.871 -15.224 1.00 74.31 H new ATOM 0 HG11 VAL A 68 4.922 1.821 -12.958 1.00 34.22 H new ATOM 0 HG12 VAL A 68 4.068 2.975 -14.010 1.00 34.22 H new ATOM 0 HG13 VAL A 68 3.334 1.396 -13.640 1.00 34.22 H new ATOM 0 HG21 VAL A 68 5.954 -0.212 -13.914 1.00 13.25 H new ATOM 0 HG22 VAL A 68 4.408 -0.719 -14.636 1.00 13.25 H new ATOM 0 HG23 VAL A 68 5.851 -0.535 -15.661 1.00 13.25 H new ATOM 918 N PHE A 69 2.416 3.225 -16.406 1.00 43.21 N ATOM 919 CA PHE A 69 1.947 4.594 -16.587 1.00 44.15 C ATOM 920 C PHE A 69 2.083 5.391 -15.293 1.00 52.35 C ATOM 921 O PHE A 69 1.922 4.851 -14.200 1.00 4.42 O ATOM 922 CB PHE A 69 0.490 4.599 -17.053 1.00 33.15 C ATOM 923 CG PHE A 69 0.337 4.619 -18.547 1.00 2.14 C ATOM 924 CD1 PHE A 69 -0.121 5.755 -19.194 1.00 43.22 C ATOM 925 CD2 PHE A 69 0.651 3.502 -19.303 1.00 62.34 C ATOM 926 CE1 PHE A 69 -0.262 5.777 -20.569 1.00 42.30 C ATOM 927 CE2 PHE A 69 0.512 3.518 -20.678 1.00 45.14 C ATOM 928 CZ PHE A 69 0.054 4.657 -21.312 1.00 23.21 C ATOM 0 H PHE A 69 1.678 2.549 -16.206 1.00 43.21 H new ATOM 0 HA PHE A 69 2.566 5.066 -17.350 1.00 44.15 H new ATOM 0 HB2 PHE A 69 -0.013 3.717 -16.656 1.00 33.15 H new ATOM 0 HB3 PHE A 69 -0.014 5.469 -16.633 1.00 33.15 H new ATOM 0 HD1 PHE A 69 -0.371 6.634 -18.618 1.00 43.22 H new ATOM 0 HD2 PHE A 69 1.008 2.609 -18.813 1.00 62.34 H new ATOM 0 HE1 PHE A 69 -0.619 6.669 -21.062 1.00 42.30 H new ATOM 0 HE2 PHE A 69 0.761 2.641 -21.257 1.00 45.14 H new ATOM 0 HZ PHE A 69 -0.057 4.671 -22.386 1.00 23.21 H new ATOM 938 N ASN A 70 2.380 6.680 -15.428 1.00 30.23 N ATOM 939 CA ASN A 70 2.538 7.552 -14.270 1.00 5.22 C ATOM 940 C ASN A 70 1.186 8.068 -13.788 1.00 32.32 C ATOM 941 O ASN A 70 0.917 8.108 -12.587 1.00 62.22 O ATOM 942 CB ASN A 70 3.453 8.730 -14.614 1.00 35.01 C ATOM 943 CG ASN A 70 3.664 9.661 -13.436 1.00 15.41 C ATOM 944 OD1 ASN A 70 3.351 9.319 -12.296 1.00 31.35 O ATOM 945 ND2 ASN A 70 4.196 10.847 -13.707 1.00 43.24 N ATOM 0 H ASN A 70 2.516 7.143 -16.327 1.00 30.23 H new ATOM 0 HA ASN A 70 2.991 6.970 -13.468 1.00 5.22 H new ATOM 0 HB2 ASN A 70 4.418 8.351 -14.951 1.00 35.01 H new ATOM 0 HB3 ASN A 70 3.023 9.290 -15.444 1.00 35.01 H new ATOM 0 HD21 ASN A 70 4.360 11.516 -12.955 1.00 43.24 H new ATOM 0 HD22 ASN A 70 4.441 11.089 -14.667 1.00 43.24 H new ATOM 952 N SER A 71 0.338 8.461 -14.733 1.00 34.43 N ATOM 953 CA SER A 71 -0.986 8.977 -14.405 1.00 33.41 C ATOM 954 C SER A 71 -1.962 7.836 -14.132 1.00 22.30 C ATOM 955 O SER A 71 -2.086 6.906 -14.929 1.00 45.02 O ATOM 956 CB SER A 71 -1.513 9.851 -15.545 1.00 4.14 C ATOM 957 OG SER A 71 -0.637 10.935 -15.802 1.00 12.44 O ATOM 0 H SER A 71 0.544 8.432 -15.732 1.00 34.43 H new ATOM 0 HA SER A 71 -0.899 9.582 -13.502 1.00 33.41 H new ATOM 0 HB2 SER A 71 -1.626 9.249 -16.447 1.00 4.14 H new ATOM 0 HB3 SER A 71 -2.502 10.231 -15.289 1.00 4.14 H new ATOM 0 HG SER A 71 -0.995 11.478 -16.535 1.00 12.44 H new ATOM 963 N SER A 72 -2.652 7.914 -12.999 1.00 55.40 N ATOM 964 CA SER A 72 -3.615 6.887 -12.617 1.00 44.25 C ATOM 965 C SER A 72 -4.719 6.763 -13.662 1.00 75.23 C ATOM 966 O SER A 72 -4.993 5.673 -14.165 1.00 3.34 O ATOM 967 CB SER A 72 -4.223 7.210 -11.251 1.00 41.55 C ATOM 968 OG SER A 72 -4.408 8.606 -11.093 1.00 54.43 O ATOM 0 H SER A 72 -2.562 8.678 -12.329 1.00 55.40 H new ATOM 0 HA SER A 72 -3.088 5.935 -12.555 1.00 44.25 H new ATOM 0 HB2 SER A 72 -5.180 6.699 -11.145 1.00 41.55 H new ATOM 0 HB3 SER A 72 -3.572 6.834 -10.462 1.00 41.55 H new ATOM 0 HG SER A 72 -4.799 8.787 -10.213 1.00 54.43 H new ATOM 974 N GLU A 73 -5.351 7.888 -13.984 1.00 22.34 N ATOM 975 CA GLU A 73 -6.427 7.905 -14.968 1.00 24.32 C ATOM 976 C GLU A 73 -5.956 7.325 -16.299 1.00 3.04 C ATOM 977 O GLU A 73 -6.508 6.340 -16.788 1.00 4.03 O ATOM 978 CB GLU A 73 -6.938 9.332 -15.173 1.00 44.21 C ATOM 979 CG GLU A 73 -8.115 9.426 -16.129 1.00 33.34 C ATOM 980 CD GLU A 73 -9.082 10.533 -15.757 1.00 2.42 C ATOM 981 OE1 GLU A 73 -9.200 11.503 -16.535 1.00 60.12 O ATOM 982 OE2 GLU A 73 -9.719 10.431 -14.688 1.00 55.21 O ATOM 0 H GLU A 73 -5.136 8.799 -13.578 1.00 22.34 H new ATOM 0 HA GLU A 73 -7.241 7.287 -14.590 1.00 24.32 H new ATOM 0 HB2 GLU A 73 -7.231 9.746 -14.208 1.00 44.21 H new ATOM 0 HB3 GLU A 73 -6.123 9.950 -15.551 1.00 44.21 H new ATOM 0 HG2 GLU A 73 -7.744 9.597 -17.140 1.00 33.34 H new ATOM 0 HG3 GLU A 73 -8.646 8.474 -16.141 1.00 33.34 H new ATOM 989 N GLU A 74 -4.932 7.945 -16.878 1.00 75.24 N ATOM 990 CA GLU A 74 -4.389 7.491 -18.153 1.00 45.20 C ATOM 991 C GLU A 74 -3.992 6.019 -18.082 1.00 43.44 C ATOM 992 O GLU A 74 -4.150 5.276 -19.050 1.00 45.02 O ATOM 993 CB GLU A 74 -3.177 8.339 -18.546 1.00 51.15 C ATOM 994 CG GLU A 74 -3.069 8.589 -20.041 1.00 43.13 C ATOM 995 CD GLU A 74 -4.267 9.334 -20.597 1.00 2.45 C ATOM 996 OE1 GLU A 74 -4.496 9.258 -21.822 1.00 12.41 O ATOM 997 OE2 GLU A 74 -4.975 9.993 -19.807 1.00 4.33 O ATOM 0 H GLU A 74 -4.463 8.761 -16.485 1.00 75.24 H new ATOM 0 HA GLU A 74 -5.164 7.604 -18.911 1.00 45.20 H new ATOM 0 HB2 GLU A 74 -3.231 9.297 -18.029 1.00 51.15 H new ATOM 0 HB3 GLU A 74 -2.270 7.842 -18.203 1.00 51.15 H new ATOM 0 HG2 GLU A 74 -2.164 9.161 -20.245 1.00 43.13 H new ATOM 0 HG3 GLU A 74 -2.967 7.635 -20.558 1.00 43.13 H new ATOM 1004 N ALA A 75 -3.475 5.607 -16.930 1.00 31.34 N ATOM 1005 CA ALA A 75 -3.057 4.225 -16.731 1.00 61.52 C ATOM 1006 C ALA A 75 -4.230 3.266 -16.904 1.00 60.30 C ATOM 1007 O ALA A 75 -4.132 2.275 -17.627 1.00 42.24 O ATOM 1008 CB ALA A 75 -2.432 4.055 -15.354 1.00 72.43 C ATOM 0 H ALA A 75 -3.335 6.211 -16.120 1.00 31.34 H new ATOM 0 HA ALA A 75 -2.311 3.985 -17.488 1.00 61.52 H new ATOM 0 HB1 ALA A 75 -2.125 3.018 -15.219 1.00 72.43 H new ATOM 0 HB2 ALA A 75 -1.562 4.706 -15.267 1.00 72.43 H new ATOM 0 HB3 ALA A 75 -3.161 4.320 -14.588 1.00 72.43 H new ATOM 1014 N GLU A 76 -5.338 3.567 -16.235 1.00 13.15 N ATOM 1015 CA GLU A 76 -6.529 2.730 -16.314 1.00 34.21 C ATOM 1016 C GLU A 76 -7.093 2.719 -17.732 1.00 32.21 C ATOM 1017 O GLU A 76 -7.519 1.679 -18.234 1.00 30.02 O ATOM 1018 CB GLU A 76 -7.595 3.225 -15.334 1.00 4.43 C ATOM 1019 CG GLU A 76 -7.573 2.505 -13.996 1.00 73.11 C ATOM 1020 CD GLU A 76 -8.948 2.032 -13.566 1.00 74.34 C ATOM 1021 OE1 GLU A 76 -9.917 2.804 -13.724 1.00 50.20 O ATOM 1022 OE2 GLU A 76 -9.056 0.890 -13.073 1.00 31.14 O ATOM 0 H GLU A 76 -5.436 4.384 -15.632 1.00 13.15 H new ATOM 0 HA GLU A 76 -6.244 1.713 -16.046 1.00 34.21 H new ATOM 0 HB2 GLU A 76 -7.453 4.292 -15.165 1.00 4.43 H new ATOM 0 HB3 GLU A 76 -8.579 3.102 -15.787 1.00 4.43 H new ATOM 0 HG2 GLU A 76 -6.902 1.649 -14.059 1.00 73.11 H new ATOM 0 HG3 GLU A 76 -7.168 3.172 -13.235 1.00 73.11 H new ATOM 1029 N ALA A 77 -7.093 3.884 -18.372 1.00 24.34 N ATOM 1030 CA ALA A 77 -7.602 4.009 -19.732 1.00 31.44 C ATOM 1031 C ALA A 77 -6.864 3.073 -20.683 1.00 31.55 C ATOM 1032 O ALA A 77 -7.483 2.291 -21.405 1.00 21.22 O ATOM 1033 CB ALA A 77 -7.485 5.449 -20.209 1.00 30.42 C ATOM 0 H ALA A 77 -6.746 4.755 -17.970 1.00 24.34 H new ATOM 0 HA ALA A 77 -8.654 3.724 -19.727 1.00 31.44 H new ATOM 0 HB1 ALA A 77 -7.869 5.528 -21.226 1.00 30.42 H new ATOM 0 HB2 ALA A 77 -8.063 6.098 -19.552 1.00 30.42 H new ATOM 0 HB3 ALA A 77 -6.439 5.754 -20.191 1.00 30.42 H new ATOM 1039 N PHE A 78 -5.538 3.157 -20.678 1.00 41.53 N ATOM 1040 CA PHE A 78 -4.715 2.319 -21.542 1.00 73.23 C ATOM 1041 C PHE A 78 -4.875 0.845 -21.181 1.00 71.24 C ATOM 1042 O PHE A 78 -4.909 -0.019 -22.058 1.00 4.43 O ATOM 1043 CB PHE A 78 -3.244 2.726 -21.433 1.00 74.42 C ATOM 1044 CG PHE A 78 -2.812 3.699 -22.492 1.00 3.32 C ATOM 1045 CD1 PHE A 78 -2.062 3.275 -23.577 1.00 5.42 C ATOM 1046 CD2 PHE A 78 -3.155 5.039 -22.402 1.00 23.25 C ATOM 1047 CE1 PHE A 78 -1.662 4.169 -24.553 1.00 30.20 C ATOM 1048 CE2 PHE A 78 -2.758 5.937 -23.375 1.00 34.53 C ATOM 1049 CZ PHE A 78 -2.010 5.501 -24.451 1.00 52.31 C ATOM 0 H PHE A 78 -5.010 3.797 -20.085 1.00 41.53 H new ATOM 0 HA PHE A 78 -5.048 2.462 -22.570 1.00 73.23 H new ATOM 0 HB2 PHE A 78 -3.069 3.168 -20.452 1.00 74.42 H new ATOM 0 HB3 PHE A 78 -2.622 1.833 -21.496 1.00 74.42 H new ATOM 0 HD1 PHE A 78 -1.787 2.234 -23.661 1.00 5.42 H new ATOM 0 HD2 PHE A 78 -3.739 5.385 -21.562 1.00 23.25 H new ATOM 0 HE1 PHE A 78 -1.078 3.826 -25.394 1.00 30.20 H new ATOM 0 HE2 PHE A 78 -3.032 6.978 -23.294 1.00 34.53 H new ATOM 0 HZ PHE A 78 -1.698 6.201 -25.212 1.00 52.31 H new ATOM 1059 N GLN A 79 -4.972 0.566 -19.886 1.00 14.25 N ATOM 1060 CA GLN A 79 -5.127 -0.803 -19.409 1.00 12.05 C ATOM 1061 C GLN A 79 -6.375 -1.449 -20.002 1.00 42.54 C ATOM 1062 O GLN A 79 -6.335 -2.587 -20.470 1.00 54.45 O ATOM 1063 CB GLN A 79 -5.204 -0.828 -17.881 1.00 4.30 C ATOM 1064 CG GLN A 79 -4.150 -1.712 -17.233 1.00 52.04 C ATOM 1065 CD GLN A 79 -3.783 -1.254 -15.836 1.00 21.13 C ATOM 1066 OE1 GLN A 79 -4.187 -0.177 -15.397 1.00 5.32 O ATOM 1067 NE2 GLN A 79 -3.013 -2.072 -15.127 1.00 73.35 N ATOM 0 H GLN A 79 -4.946 1.270 -19.148 1.00 14.25 H new ATOM 0 HA GLN A 79 -4.256 -1.373 -19.732 1.00 12.05 H new ATOM 0 HB2 GLN A 79 -5.096 0.189 -17.503 1.00 4.30 H new ATOM 0 HB3 GLN A 79 -6.192 -1.176 -17.581 1.00 4.30 H new ATOM 0 HG2 GLN A 79 -4.518 -2.737 -17.190 1.00 52.04 H new ATOM 0 HG3 GLN A 79 -3.255 -1.720 -17.855 1.00 52.04 H new ATOM 0 HE21 GLN A 79 -2.701 -2.955 -15.530 1.00 73.35 H new ATOM 0 HE22 GLN A 79 -2.734 -1.817 -14.180 1.00 73.35 H new ATOM 1076 N LYS A 80 -7.482 -0.715 -19.980 1.00 13.21 N ATOM 1077 CA LYS A 80 -8.743 -1.214 -20.517 1.00 23.34 C ATOM 1078 C LYS A 80 -8.592 -1.608 -21.983 1.00 1.15 C ATOM 1079 O LYS A 80 -8.666 -2.786 -22.329 1.00 64.32 O ATOM 1080 CB LYS A 80 -9.838 -0.155 -20.372 1.00 22.11 C ATOM 1081 CG LYS A 80 -11.216 -0.645 -20.781 1.00 30.53 C ATOM 1082 CD LYS A 80 -12.272 0.429 -20.582 1.00 43.23 C ATOM 1083 CE LYS A 80 -12.528 1.202 -21.867 1.00 13.43 C ATOM 1084 NZ LYS A 80 -13.187 2.512 -21.604 1.00 30.22 N ATOM 0 H LYS A 80 -7.532 0.229 -19.596 1.00 13.21 H new ATOM 0 HA LYS A 80 -9.026 -2.100 -19.948 1.00 23.34 H new ATOM 0 HB2 LYS A 80 -9.873 0.179 -19.335 1.00 22.11 H new ATOM 0 HB3 LYS A 80 -9.575 0.712 -20.978 1.00 22.11 H new ATOM 0 HG2 LYS A 80 -11.199 -0.950 -21.827 1.00 30.53 H new ATOM 0 HG3 LYS A 80 -11.478 -1.527 -20.196 1.00 30.53 H new ATOM 0 HD2 LYS A 80 -13.200 -0.030 -20.241 1.00 43.23 H new ATOM 0 HD3 LYS A 80 -11.950 1.117 -19.800 1.00 43.23 H new ATOM 0 HE2 LYS A 80 -11.584 1.368 -22.385 1.00 13.43 H new ATOM 0 HE3 LYS A 80 -13.155 0.606 -22.530 1.00 13.43 H new ATOM 0 HZ1 LYS A 80 -13.344 3.008 -22.504 1.00 30.22 H new ATOM 0 HZ2 LYS A 80 -14.100 2.353 -21.132 1.00 30.22 H new ATOM 0 HZ3 LYS A 80 -12.577 3.091 -20.992 1.00 30.22 H new ATOM 1098 N ALA A 81 -8.379 -0.614 -22.839 1.00 10.25 N ATOM 1099 CA ALA A 81 -8.214 -0.857 -24.266 1.00 72.12 C ATOM 1100 C ALA A 81 -6.907 -0.261 -24.777 1.00 51.04 C ATOM 1101 O ALA A 81 -6.312 0.619 -24.154 1.00 73.43 O ATOM 1102 CB ALA A 81 -9.395 -0.287 -25.039 1.00 5.45 C ATOM 0 H ALA A 81 -8.317 0.367 -22.568 1.00 10.25 H new ATOM 0 HA ALA A 81 -8.177 -1.935 -24.424 1.00 72.12 H new ATOM 0 HB1 ALA A 81 -9.258 -0.476 -26.104 1.00 5.45 H new ATOM 0 HB2 ALA A 81 -10.315 -0.764 -24.701 1.00 5.45 H new ATOM 0 HB3 ALA A 81 -9.458 0.787 -24.866 1.00 5.45 H new ATOM 1108 N PRO A 82 -6.447 -0.750 -25.939 1.00 11.23 N ATOM 1109 CA PRO A 82 -5.205 -0.279 -26.559 1.00 70.40 C ATOM 1110 C PRO A 82 -5.327 1.144 -27.093 1.00 63.45 C ATOM 1111 O PRO A 82 -6.419 1.703 -27.195 1.00 62.11 O ATOM 1112 CB PRO A 82 -4.987 -1.266 -27.709 1.00 52.31 C ATOM 1113 CG PRO A 82 -6.349 -1.773 -28.036 1.00 31.41 C ATOM 1114 CD PRO A 82 -7.104 -1.799 -26.736 1.00 34.01 C ATOM 0 HA PRO A 82 -4.381 -0.245 -25.847 1.00 70.40 H new ATOM 0 HB2 PRO A 82 -4.530 -0.777 -28.569 1.00 52.31 H new ATOM 0 HB3 PRO A 82 -4.323 -2.078 -27.413 1.00 52.31 H new ATOM 0 HG2 PRO A 82 -6.843 -1.126 -28.761 1.00 31.41 H new ATOM 0 HG3 PRO A 82 -6.299 -2.768 -28.478 1.00 31.41 H new ATOM 0 HD2 PRO A 82 -8.163 -1.588 -26.882 1.00 34.01 H new ATOM 0 HD3 PRO A 82 -7.037 -2.773 -26.252 1.00 34.01 H new ATOM 1122 N PRO A 83 -4.180 1.745 -27.444 1.00 72.12 N ATOM 1123 CA PRO A 83 -4.133 3.110 -27.975 1.00 42.43 C ATOM 1124 C PRO A 83 -4.727 3.208 -29.376 1.00 40.52 C ATOM 1125 O PRO A 83 -5.322 4.223 -29.738 1.00 71.14 O ATOM 1126 CB PRO A 83 -2.636 3.427 -28.006 1.00 45.22 C ATOM 1127 CG PRO A 83 -1.969 2.099 -28.109 1.00 73.31 C ATOM 1128 CD PRO A 83 -2.842 1.138 -27.350 1.00 21.12 C ATOM 0 HA PRO A 83 -4.717 3.803 -27.370 1.00 42.43 H new ATOM 0 HB2 PRO A 83 -2.384 4.063 -28.854 1.00 45.22 H new ATOM 0 HB3 PRO A 83 -2.325 3.957 -27.106 1.00 45.22 H new ATOM 0 HG2 PRO A 83 -1.866 1.794 -29.150 1.00 73.31 H new ATOM 0 HG3 PRO A 83 -0.965 2.132 -27.686 1.00 73.31 H new ATOM 0 HD2 PRO A 83 -2.821 0.142 -27.791 1.00 21.12 H new ATOM 0 HD3 PRO A 83 -2.520 1.035 -26.314 1.00 21.12 H new ATOM 1136 N MET A 84 -4.562 2.148 -30.160 1.00 22.34 N ATOM 1137 CA MET A 84 -5.084 2.115 -31.521 1.00 30.31 C ATOM 1138 C MET A 84 -4.440 3.200 -32.377 1.00 4.52 C ATOM 1139 O MET A 84 -4.899 4.343 -32.397 1.00 71.42 O ATOM 1140 CB MET A 84 -6.604 2.291 -31.511 1.00 44.34 C ATOM 1141 CG MET A 84 -7.360 1.078 -32.029 1.00 3.33 C ATOM 1142 SD MET A 84 -8.429 1.470 -33.427 1.00 4.52 S ATOM 1143 CE MET A 84 -7.481 0.781 -34.781 1.00 50.04 C ATOM 0 H MET A 84 -4.071 1.300 -29.876 1.00 22.34 H new ATOM 0 HA MET A 84 -4.841 1.145 -31.954 1.00 30.31 H new ATOM 0 HB2 MET A 84 -6.930 2.505 -30.493 1.00 44.34 H new ATOM 0 HB3 MET A 84 -6.865 3.158 -32.118 1.00 44.34 H new ATOM 0 HG2 MET A 84 -6.646 0.310 -32.327 1.00 3.33 H new ATOM 0 HG3 MET A 84 -7.962 0.659 -31.223 1.00 3.33 H new ATOM 0 HE1 MET A 84 -8.013 0.944 -35.718 1.00 50.04 H new ATOM 0 HE2 MET A 84 -6.507 1.267 -34.828 1.00 50.04 H new ATOM 0 HE3 MET A 84 -7.345 -0.289 -34.623 1.00 50.04 H new ATOM 1153 N TYR A 85 -3.374 2.837 -33.081 1.00 42.14 N ATOM 1154 CA TYR A 85 -2.665 3.781 -33.937 1.00 1.41 C ATOM 1155 C TYR A 85 -2.683 3.319 -35.391 1.00 0.03 C ATOM 1156 O TYR A 85 -2.264 2.205 -35.705 1.00 21.22 O ATOM 1157 CB TYR A 85 -1.221 3.948 -33.461 1.00 42.10 C ATOM 1158 CG TYR A 85 -0.803 5.391 -33.288 1.00 60.12 C ATOM 1159 CD1 TYR A 85 -0.079 5.796 -32.173 1.00 52.13 C ATOM 1160 CD2 TYR A 85 -1.133 6.349 -34.239 1.00 4.13 C ATOM 1161 CE1 TYR A 85 0.304 7.113 -32.011 1.00 1.34 C ATOM 1162 CE2 TYR A 85 -0.752 7.668 -34.085 1.00 52.10 C ATOM 1163 CZ TYR A 85 -0.034 8.045 -32.969 1.00 52.44 C ATOM 1164 OH TYR A 85 0.345 9.359 -32.812 1.00 23.31 O ATOM 0 H TYR A 85 -2.982 1.896 -33.076 1.00 42.14 H new ATOM 0 HA TYR A 85 -3.175 4.742 -33.874 1.00 1.41 H new ATOM 0 HB2 TYR A 85 -1.098 3.427 -32.512 1.00 42.10 H new ATOM 0 HB3 TYR A 85 -0.554 3.469 -34.177 1.00 42.10 H new ATOM 0 HD1 TYR A 85 0.189 5.069 -31.421 1.00 52.13 H new ATOM 0 HD2 TYR A 85 -1.697 6.058 -35.113 1.00 4.13 H new ATOM 0 HE1 TYR A 85 0.866 7.411 -31.138 1.00 1.34 H new ATOM 0 HE2 TYR A 85 -1.015 8.400 -34.834 1.00 52.10 H new ATOM 0 HH TYR A 85 0.028 9.884 -33.576 1.00 23.31 H new ATOM 1174 N ASP A 86 -3.171 4.184 -36.273 1.00 61.43 N ATOM 1175 CA ASP A 86 -3.243 3.867 -37.695 1.00 22.51 C ATOM 1176 C ASP A 86 -1.887 3.401 -38.217 1.00 72.11 C ATOM 1177 O ASP A 86 -1.799 2.419 -38.955 1.00 41.41 O ATOM 1178 CB ASP A 86 -3.717 5.085 -38.488 1.00 15.33 C ATOM 1179 CG ASP A 86 -5.216 5.077 -38.720 1.00 4.41 C ATOM 1180 OD1 ASP A 86 -5.961 5.473 -37.799 1.00 72.11 O ATOM 1181 OD2 ASP A 86 -5.643 4.677 -39.823 1.00 25.44 O ATOM 0 H ASP A 86 -3.523 5.110 -36.029 1.00 61.43 H new ATOM 0 HA ASP A 86 -3.961 3.057 -37.825 1.00 22.51 H new ATOM 0 HB2 ASP A 86 -3.440 5.993 -37.953 1.00 15.33 H new ATOM 0 HB3 ASP A 86 -3.204 5.112 -39.449 1.00 15.33 H new ATOM 1186 N ASP A 87 -0.834 4.112 -37.830 1.00 70.00 N ATOM 1187 CA ASP A 87 0.518 3.772 -38.259 1.00 34.10 C ATOM 1188 C ASP A 87 0.825 2.305 -37.975 1.00 21.03 C ATOM 1189 O ASP A 87 1.065 1.521 -38.893 1.00 25.12 O ATOM 1190 CB ASP A 87 1.539 4.666 -37.554 1.00 63.25 C ATOM 1191 CG ASP A 87 2.088 5.747 -38.465 1.00 32.02 C ATOM 1192 OD1 ASP A 87 2.077 6.928 -38.058 1.00 21.35 O ATOM 1193 OD2 ASP A 87 2.528 5.412 -39.584 1.00 45.30 O ATOM 0 H ASP A 87 -0.890 4.928 -37.220 1.00 70.00 H new ATOM 0 HA ASP A 87 0.584 3.937 -39.334 1.00 34.10 H new ATOM 0 HB2 ASP A 87 1.073 5.130 -36.685 1.00 63.25 H new ATOM 0 HB3 ASP A 87 2.362 4.053 -37.186 1.00 63.25 H new ATOM 1198 N VAL A 88 0.817 1.941 -36.696 1.00 74.23 N ATOM 1199 CA VAL A 88 1.094 0.568 -36.291 1.00 4.25 C ATOM 1200 C VAL A 88 0.040 0.060 -35.313 1.00 63.15 C ATOM 1201 O VAL A 88 -0.243 0.702 -34.303 1.00 33.14 O ATOM 1202 CB VAL A 88 2.484 0.446 -35.638 1.00 44.22 C ATOM 1203 CG1 VAL A 88 2.788 -1.004 -35.296 1.00 64.41 C ATOM 1204 CG2 VAL A 88 3.554 1.022 -36.553 1.00 43.24 C ATOM 0 H VAL A 88 0.622 2.578 -35.923 1.00 74.23 H new ATOM 0 HA VAL A 88 1.070 -0.040 -37.195 1.00 4.25 H new ATOM 0 HB VAL A 88 2.483 1.020 -34.711 1.00 44.22 H new ATOM 0 HG11 VAL A 88 3.774 -1.070 -34.836 1.00 64.41 H new ATOM 0 HG12 VAL A 88 2.037 -1.379 -34.601 1.00 64.41 H new ATOM 0 HG13 VAL A 88 2.771 -1.604 -36.206 1.00 64.41 H new ATOM 0 HG21 VAL A 88 4.530 0.928 -36.076 1.00 43.24 H new ATOM 0 HG22 VAL A 88 3.557 0.477 -37.497 1.00 43.24 H new ATOM 0 HG23 VAL A 88 3.343 2.074 -36.742 1.00 43.24 H new ATOM 1214 N GLN A 89 -0.536 -1.097 -35.623 1.00 32.13 N ATOM 1215 CA GLN A 89 -1.560 -1.692 -34.771 1.00 42.42 C ATOM 1216 C GLN A 89 -0.988 -2.053 -33.404 1.00 72.12 C ATOM 1217 O GLN A 89 -0.037 -2.829 -33.303 1.00 3.22 O ATOM 1218 CB GLN A 89 -2.147 -2.937 -35.437 1.00 61.13 C ATOM 1219 CG GLN A 89 -3.664 -3.005 -35.370 1.00 31.22 C ATOM 1220 CD GLN A 89 -4.204 -4.372 -35.741 1.00 20.43 C ATOM 1221 OE1 GLN A 89 -4.777 -4.556 -36.815 1.00 41.21 O ATOM 1222 NE2 GLN A 89 -4.024 -5.342 -34.851 1.00 44.41 N ATOM 0 H GLN A 89 -0.312 -1.641 -36.456 1.00 32.13 H new ATOM 0 HA GLN A 89 -2.352 -0.957 -34.630 1.00 42.42 H new ATOM 0 HB2 GLN A 89 -1.836 -2.961 -36.482 1.00 61.13 H new ATOM 0 HB3 GLN A 89 -1.730 -3.824 -34.960 1.00 61.13 H new ATOM 0 HG2 GLN A 89 -3.991 -2.751 -34.362 1.00 31.22 H new ATOM 0 HG3 GLN A 89 -4.087 -2.257 -36.040 1.00 31.22 H new ATOM 0 HE21 GLN A 89 -3.543 -5.146 -33.973 1.00 44.41 H new ATOM 0 HE22 GLN A 89 -4.366 -6.283 -35.046 1.00 44.41 H new ATOM 1231 N LEU A 90 -1.574 -1.486 -32.355 1.00 63.31 N ATOM 1232 CA LEU A 90 -1.122 -1.749 -30.993 1.00 15.52 C ATOM 1233 C LEU A 90 -2.039 -2.751 -30.299 1.00 71.11 C ATOM 1234 O LEU A 90 -3.263 -2.672 -30.412 1.00 61.10 O ATOM 1235 CB LEU A 90 -1.073 -0.446 -30.192 1.00 25.54 C ATOM 1236 CG LEU A 90 0.316 0.017 -29.750 1.00 41.22 C ATOM 1237 CD1 LEU A 90 0.988 -1.047 -28.897 1.00 63.53 C ATOM 1238 CD2 LEU A 90 1.175 0.355 -30.960 1.00 62.20 C ATOM 0 H LEU A 90 -2.362 -0.842 -32.421 1.00 63.31 H new ATOM 0 HA LEU A 90 -0.120 -2.176 -31.044 1.00 15.52 H new ATOM 0 HB2 LEU A 90 -1.523 0.344 -30.793 1.00 25.54 H new ATOM 0 HB3 LEU A 90 -1.694 -0.565 -29.304 1.00 25.54 H new ATOM 0 HG LEU A 90 0.203 0.918 -29.147 1.00 41.22 H new ATOM 0 HD11 LEU A 90 1.975 -0.699 -28.592 1.00 63.53 H new ATOM 0 HD12 LEU A 90 0.382 -1.240 -28.012 1.00 63.53 H new ATOM 0 HD13 LEU A 90 1.089 -1.966 -29.475 1.00 63.53 H new ATOM 0 HD21 LEU A 90 2.160 0.683 -30.627 1.00 62.20 H new ATOM 0 HD22 LEU A 90 1.280 -0.528 -31.590 1.00 62.20 H new ATOM 0 HD23 LEU A 90 0.701 1.153 -31.531 1.00 62.20 H new ATOM 1250 N THR A 91 -1.439 -3.694 -29.578 1.00 53.45 N ATOM 1251 CA THR A 91 -2.201 -4.711 -28.865 1.00 60.02 C ATOM 1252 C THR A 91 -1.840 -4.731 -27.384 1.00 41.24 C ATOM 1253 O THR A 91 -0.780 -5.225 -27.001 1.00 34.42 O ATOM 1254 CB THR A 91 -1.961 -6.112 -29.459 1.00 50.12 C ATOM 1255 OG1 THR A 91 -1.572 -6.001 -30.833 1.00 30.41 O ATOM 1256 CG2 THR A 91 -3.213 -6.968 -29.349 1.00 34.22 C ATOM 0 H THR A 91 -0.428 -3.774 -29.473 1.00 53.45 H new ATOM 0 HA THR A 91 -3.254 -4.453 -28.976 1.00 60.02 H new ATOM 0 HB THR A 91 -1.162 -6.591 -28.893 1.00 50.12 H new ATOM 0 HG1 THR A 91 -1.420 -6.896 -31.203 1.00 30.41 H new ATOM 0 HG21 THR A 91 -3.019 -7.952 -29.775 1.00 34.22 H new ATOM 0 HG22 THR A 91 -3.490 -7.074 -28.300 1.00 34.22 H new ATOM 0 HG23 THR A 91 -4.029 -6.491 -29.893 1.00 34.22 H new ATOM 1264 N ALA A 92 -2.728 -4.190 -26.556 1.00 62.33 N ATOM 1265 CA ALA A 92 -2.503 -4.149 -25.117 1.00 12.33 C ATOM 1266 C ALA A 92 -3.485 -5.055 -24.381 1.00 50.25 C ATOM 1267 O ALA A 92 -4.642 -5.183 -24.780 1.00 31.21 O ATOM 1268 CB ALA A 92 -2.616 -2.720 -24.606 1.00 15.01 C ATOM 0 H ALA A 92 -3.609 -3.774 -26.857 1.00 62.33 H new ATOM 0 HA ALA A 92 -1.495 -4.515 -24.921 1.00 12.33 H new ATOM 0 HB1 ALA A 92 -2.446 -2.704 -23.530 1.00 15.01 H new ATOM 0 HB2 ALA A 92 -1.871 -2.097 -25.101 1.00 15.01 H new ATOM 0 HB3 ALA A 92 -3.612 -2.334 -24.821 1.00 15.01 H new ATOM 1274 N GLU A 93 -3.015 -5.681 -23.307 1.00 62.02 N ATOM 1275 CA GLU A 93 -3.853 -6.576 -22.518 1.00 65.51 C ATOM 1276 C GLU A 93 -4.051 -6.032 -21.106 1.00 72.43 C ATOM 1277 O GLU A 93 -3.369 -5.098 -20.688 1.00 43.55 O ATOM 1278 CB GLU A 93 -3.228 -7.972 -22.456 1.00 11.05 C ATOM 1279 CG GLU A 93 -3.634 -8.873 -23.610 1.00 13.22 C ATOM 1280 CD GLU A 93 -4.838 -9.735 -23.282 1.00 0.34 C ATOM 1281 OE1 GLU A 93 -5.799 -9.207 -22.683 1.00 61.21 O ATOM 1282 OE2 GLU A 93 -4.819 -10.936 -23.623 1.00 12.34 O ATOM 0 H GLU A 93 -2.059 -5.585 -22.964 1.00 62.02 H new ATOM 0 HA GLU A 93 -4.827 -6.643 -23.003 1.00 65.51 H new ATOM 0 HB2 GLU A 93 -2.142 -7.875 -22.447 1.00 11.05 H new ATOM 0 HB3 GLU A 93 -3.513 -8.447 -21.517 1.00 11.05 H new ATOM 0 HG2 GLU A 93 -3.858 -8.260 -24.483 1.00 13.22 H new ATOM 0 HG3 GLU A 93 -2.795 -9.515 -23.878 1.00 13.22 H new ATOM 1289 N MET A 94 -4.991 -6.625 -20.377 1.00 53.21 N ATOM 1290 CA MET A 94 -5.280 -6.200 -19.012 1.00 62.31 C ATOM 1291 C MET A 94 -4.674 -7.169 -18.002 1.00 21.41 C ATOM 1292 O MET A 94 -4.432 -8.336 -18.313 1.00 11.12 O ATOM 1293 CB MET A 94 -6.791 -6.098 -18.796 1.00 21.23 C ATOM 1294 CG MET A 94 -7.223 -4.803 -18.128 1.00 21.05 C ATOM 1295 SD MET A 94 -9.014 -4.594 -18.110 1.00 62.31 S ATOM 1296 CE MET A 94 -9.314 -4.391 -16.356 1.00 41.41 C ATOM 0 H MET A 94 -5.565 -7.400 -20.708 1.00 53.21 H new ATOM 0 HA MET A 94 -4.832 -5.218 -18.861 1.00 62.31 H new ATOM 0 HB2 MET A 94 -7.294 -6.186 -19.759 1.00 21.23 H new ATOM 0 HB3 MET A 94 -7.120 -6.939 -18.186 1.00 21.23 H new ATOM 0 HG2 MET A 94 -6.849 -4.784 -17.104 1.00 21.05 H new ATOM 0 HG3 MET A 94 -6.768 -3.961 -18.649 1.00 21.05 H new ATOM 0 HE1 MET A 94 -10.381 -4.251 -16.183 1.00 41.41 H new ATOM 0 HE2 MET A 94 -8.974 -5.279 -15.823 1.00 41.41 H new ATOM 0 HE3 MET A 94 -8.770 -3.519 -15.992 1.00 41.41 H new ATOM 1306 N LYS A 95 -4.430 -6.679 -16.791 1.00 74.22 N ATOM 1307 CA LYS A 95 -3.854 -7.501 -15.734 1.00 64.41 C ATOM 1308 C LYS A 95 -4.809 -8.621 -15.333 1.00 42.11 C ATOM 1309 O LYS A 95 -4.384 -9.738 -15.035 1.00 43.34 O ATOM 1310 CB LYS A 95 -3.520 -6.640 -14.514 1.00 50.22 C ATOM 1311 CG LYS A 95 -4.709 -5.863 -13.975 1.00 4.11 C ATOM 1312 CD LYS A 95 -4.302 -4.938 -12.840 1.00 22.32 C ATOM 1313 CE LYS A 95 -5.492 -4.160 -12.301 1.00 53.33 C ATOM 1314 NZ LYS A 95 -5.512 -4.135 -10.812 1.00 65.44 N ATOM 0 H LYS A 95 -4.623 -5.715 -16.517 1.00 74.22 H new ATOM 0 HA LYS A 95 -2.937 -7.949 -16.117 1.00 64.41 H new ATOM 0 HB2 LYS A 95 -3.127 -7.280 -13.724 1.00 50.22 H new ATOM 0 HB3 LYS A 95 -2.729 -5.939 -14.780 1.00 50.22 H new ATOM 0 HG2 LYS A 95 -5.158 -5.279 -14.779 1.00 4.11 H new ATOM 0 HG3 LYS A 95 -5.471 -6.559 -13.623 1.00 4.11 H new ATOM 0 HD2 LYS A 95 -3.854 -5.522 -12.036 1.00 22.32 H new ATOM 0 HD3 LYS A 95 -3.540 -4.242 -13.192 1.00 22.32 H new ATOM 0 HE2 LYS A 95 -5.460 -3.139 -12.681 1.00 53.33 H new ATOM 0 HE3 LYS A 95 -6.415 -4.608 -12.669 1.00 53.33 H new ATOM 0 HZ1 LYS A 95 -6.338 -3.595 -10.485 1.00 65.44 H new ATOM 0 HZ2 LYS A 95 -5.568 -5.108 -10.449 1.00 65.44 H new ATOM 0 HZ3 LYS A 95 -4.643 -3.684 -10.461 1.00 65.44 H new ATOM 1328 N THR A 96 -6.103 -8.316 -15.329 1.00 2.44 N ATOM 1329 CA THR A 96 -7.118 -9.296 -14.965 1.00 11.22 C ATOM 1330 C THR A 96 -7.039 -10.527 -15.860 1.00 30.44 C ATOM 1331 O THR A 96 -7.030 -11.660 -15.376 1.00 60.01 O ATOM 1332 CB THR A 96 -8.535 -8.698 -15.057 1.00 63.05 C ATOM 1333 OG1 THR A 96 -8.579 -7.437 -14.381 1.00 55.31 O ATOM 1334 CG2 THR A 96 -9.561 -9.642 -14.449 1.00 52.14 C ATOM 0 H THR A 96 -6.473 -7.397 -15.574 1.00 2.44 H new ATOM 0 HA THR A 96 -6.921 -9.587 -13.933 1.00 11.22 H new ATOM 0 HB THR A 96 -8.777 -8.554 -16.110 1.00 63.05 H new ATOM 0 HG1 THR A 96 -9.482 -7.063 -14.445 1.00 55.31 H new ATOM 0 HG21 THR A 96 -10.554 -9.198 -14.525 1.00 52.14 H new ATOM 0 HG22 THR A 96 -9.545 -10.591 -14.985 1.00 52.14 H new ATOM 0 HG23 THR A 96 -9.320 -9.814 -13.400 1.00 52.14 H new ATOM 1342 N THR A 97 -6.981 -10.300 -17.168 1.00 51.22 N ATOM 1343 CA THR A 97 -6.903 -11.391 -18.131 1.00 31.10 C ATOM 1344 C THR A 97 -5.727 -12.311 -17.825 1.00 63.12 C ATOM 1345 O THR A 97 -5.893 -13.524 -17.690 1.00 11.51 O ATOM 1346 CB THR A 97 -6.765 -10.861 -19.571 1.00 31.32 C ATOM 1347 OG1 THR A 97 -7.739 -9.840 -19.812 1.00 41.43 O ATOM 1348 CG2 THR A 97 -6.941 -11.986 -20.580 1.00 51.43 C ATOM 0 H THR A 97 -6.987 -9.369 -17.585 1.00 51.22 H new ATOM 0 HA THR A 97 -7.833 -11.954 -18.047 1.00 31.10 H new ATOM 0 HB THR A 97 -5.765 -10.443 -19.687 1.00 31.32 H new ATOM 0 HG1 THR A 97 -7.644 -9.507 -20.729 1.00 41.43 H new ATOM 0 HG21 THR A 97 -6.840 -11.588 -21.590 1.00 51.43 H new ATOM 0 HG22 THR A 97 -6.180 -12.748 -20.412 1.00 51.43 H new ATOM 0 HG23 THR A 97 -7.930 -12.429 -20.462 1.00 51.43 H new ATOM 1356 N TYR A 98 -4.538 -11.728 -17.717 1.00 13.31 N ATOM 1357 CA TYR A 98 -3.333 -12.496 -17.428 1.00 71.14 C ATOM 1358 C TYR A 98 -3.501 -13.315 -16.152 1.00 13.40 C ATOM 1359 O TYR A 98 -3.233 -14.517 -16.131 1.00 1.41 O ATOM 1360 CB TYR A 98 -2.128 -11.563 -17.294 1.00 72.44 C ATOM 1361 CG TYR A 98 -1.330 -11.418 -18.570 1.00 53.35 C ATOM 1362 CD1 TYR A 98 -1.949 -11.064 -19.763 1.00 52.22 C ATOM 1363 CD2 TYR A 98 0.042 -11.635 -18.584 1.00 12.11 C ATOM 1364 CE1 TYR A 98 -1.225 -10.930 -20.932 1.00 25.23 C ATOM 1365 CE2 TYR A 98 0.775 -11.502 -19.747 1.00 73.23 C ATOM 1366 CZ TYR A 98 0.137 -11.150 -20.919 1.00 1.14 C ATOM 1367 OH TYR A 98 0.863 -11.018 -22.080 1.00 24.11 O ATOM 0 H TYR A 98 -4.383 -10.726 -17.825 1.00 13.31 H new ATOM 0 HA TYR A 98 -3.163 -13.182 -18.258 1.00 71.14 H new ATOM 0 HB2 TYR A 98 -2.474 -10.579 -16.978 1.00 72.44 H new ATOM 0 HB3 TYR A 98 -1.474 -11.939 -16.507 1.00 72.44 H new ATOM 0 HD1 TYR A 98 -3.015 -10.891 -19.776 1.00 52.22 H new ATOM 0 HD2 TYR A 98 0.544 -11.913 -17.669 1.00 12.11 H new ATOM 0 HE1 TYR A 98 -1.722 -10.655 -21.850 1.00 25.23 H new ATOM 0 HE2 TYR A 98 1.841 -11.673 -19.739 1.00 73.23 H new ATOM 0 HH TYR A 98 1.807 -11.206 -21.898 1.00 24.11 H new ATOM 1377 N LEU A 99 -3.948 -12.655 -15.089 1.00 31.01 N ATOM 1378 CA LEU A 99 -4.154 -13.320 -13.807 1.00 1.12 C ATOM 1379 C LEU A 99 -5.032 -14.557 -13.969 1.00 42.45 C ATOM 1380 O LEU A 99 -4.741 -15.613 -13.410 1.00 62.33 O ATOM 1381 CB LEU A 99 -4.793 -12.355 -12.806 1.00 64.03 C ATOM 1382 CG LEU A 99 -5.117 -12.934 -11.429 1.00 31.12 C ATOM 1383 CD1 LEU A 99 -3.914 -12.822 -10.506 1.00 23.03 C ATOM 1384 CD2 LEU A 99 -6.323 -12.229 -10.824 1.00 64.15 C ATOM 0 H LEU A 99 -4.175 -11.660 -15.089 1.00 31.01 H new ATOM 0 HA LEU A 99 -3.181 -13.635 -13.429 1.00 1.12 H new ATOM 0 HB2 LEU A 99 -4.123 -11.506 -12.672 1.00 64.03 H new ATOM 0 HB3 LEU A 99 -5.715 -11.969 -13.242 1.00 64.03 H new ATOM 0 HG LEU A 99 -5.360 -13.990 -11.548 1.00 31.12 H new ATOM 0 HD11 LEU A 99 -4.164 -13.239 -9.530 1.00 23.03 H new ATOM 0 HD12 LEU A 99 -3.076 -13.373 -10.932 1.00 23.03 H new ATOM 0 HD13 LEU A 99 -3.639 -11.773 -10.392 1.00 23.03 H new ATOM 0 HD21 LEU A 99 -6.539 -12.654 -9.844 1.00 64.15 H new ATOM 0 HD22 LEU A 99 -6.108 -11.166 -10.719 1.00 64.15 H new ATOM 0 HD23 LEU A 99 -7.187 -12.362 -11.476 1.00 64.15 H new ATOM 1396 N GLU A 100 -6.106 -14.416 -14.740 1.00 62.54 N ATOM 1397 CA GLU A 100 -7.025 -15.523 -14.977 1.00 61.53 C ATOM 1398 C GLU A 100 -6.328 -16.660 -15.719 1.00 64.31 C ATOM 1399 O GLU A 100 -6.520 -17.834 -15.400 1.00 51.32 O ATOM 1400 CB GLU A 100 -8.238 -15.046 -15.778 1.00 51.20 C ATOM 1401 CG GLU A 100 -9.210 -16.159 -16.133 1.00 2.33 C ATOM 1402 CD GLU A 100 -10.595 -15.640 -16.465 1.00 13.40 C ATOM 1403 OE1 GLU A 100 -11.170 -14.909 -15.631 1.00 32.22 O ATOM 1404 OE2 GLU A 100 -11.105 -15.964 -17.558 1.00 44.50 O ATOM 0 H GLU A 100 -6.361 -13.547 -15.210 1.00 62.54 H new ATOM 0 HA GLU A 100 -7.361 -15.895 -14.009 1.00 61.53 H new ATOM 0 HB2 GLU A 100 -8.765 -14.284 -15.204 1.00 51.20 H new ATOM 0 HB3 GLU A 100 -7.892 -14.571 -16.696 1.00 51.20 H new ATOM 0 HG2 GLU A 100 -8.822 -16.718 -16.985 1.00 2.33 H new ATOM 0 HG3 GLU A 100 -9.278 -16.857 -15.298 1.00 2.33 H new ATOM 1411 N ARG A 101 -5.518 -16.303 -16.710 1.00 62.04 N ATOM 1412 CA ARG A 101 -4.793 -17.292 -17.499 1.00 72.21 C ATOM 1413 C ARG A 101 -3.903 -18.153 -16.607 1.00 52.21 C ATOM 1414 O ARG A 101 -4.044 -19.375 -16.565 1.00 33.12 O ATOM 1415 CB ARG A 101 -3.946 -16.601 -18.569 1.00 25.21 C ATOM 1416 CG ARG A 101 -4.767 -15.933 -19.659 1.00 70.02 C ATOM 1417 CD ARG A 101 -5.613 -16.944 -20.418 1.00 2.31 C ATOM 1418 NE ARG A 101 -6.072 -16.419 -21.701 1.00 72.53 N ATOM 1419 CZ ARG A 101 -6.638 -17.169 -22.641 1.00 11.40 C ATOM 1420 NH1 ARG A 101 -6.814 -18.468 -22.441 1.00 42.55 N ATOM 1421 NH2 ARG A 101 -7.030 -16.618 -23.783 1.00 71.41 N ATOM 0 H ARG A 101 -5.347 -15.336 -16.986 1.00 62.04 H new ATOM 0 HA ARG A 101 -5.524 -17.938 -17.986 1.00 72.21 H new ATOM 0 HB2 ARG A 101 -3.314 -15.852 -18.092 1.00 25.21 H new ATOM 0 HB3 ARG A 101 -3.282 -17.335 -19.025 1.00 25.21 H new ATOM 0 HG2 ARG A 101 -5.414 -15.175 -19.216 1.00 70.02 H new ATOM 0 HG3 ARG A 101 -4.102 -15.419 -20.353 1.00 70.02 H new ATOM 0 HD2 ARG A 101 -5.032 -17.851 -20.584 1.00 2.31 H new ATOM 0 HD3 ARG A 101 -6.474 -17.224 -19.812 1.00 2.31 H new ATOM 0 HE ARG A 101 -5.952 -15.423 -21.886 1.00 72.53 H new ATOM 0 HH11 ARG A 101 -6.515 -18.894 -21.564 1.00 42.55 H new ATOM 0 HH12 ARG A 101 -7.249 -19.041 -23.164 1.00 42.55 H new ATOM 0 HH21 ARG A 101 -6.897 -15.619 -23.939 1.00 71.41 H new ATOM 0 HH22 ARG A 101 -7.464 -17.194 -24.504 1.00 71.41 H new ATOM 1435 N LYS A 102 -2.986 -17.506 -15.896 1.00 22.52 N ATOM 1436 CA LYS A 102 -2.072 -18.211 -15.004 1.00 15.23 C ATOM 1437 C LYS A 102 -2.843 -19.026 -13.969 1.00 45.25 C ATOM 1438 O LYS A 102 -2.469 -20.154 -13.651 1.00 61.34 O ATOM 1439 CB LYS A 102 -1.147 -17.216 -14.299 1.00 31.42 C ATOM 1440 CG LYS A 102 -1.888 -16.127 -13.543 1.00 23.02 C ATOM 1441 CD LYS A 102 -0.927 -15.119 -12.935 1.00 13.25 C ATOM 1442 CE LYS A 102 -0.034 -15.762 -11.885 1.00 35.52 C ATOM 1443 NZ LYS A 102 -0.186 -15.112 -10.554 1.00 23.23 N ATOM 0 H LYS A 102 -2.856 -16.495 -15.920 1.00 22.52 H new ATOM 0 HA LYS A 102 -1.471 -18.894 -15.605 1.00 15.23 H new ATOM 0 HB2 LYS A 102 -0.507 -17.758 -13.603 1.00 31.42 H new ATOM 0 HB3 LYS A 102 -0.494 -16.753 -15.039 1.00 31.42 H new ATOM 0 HG2 LYS A 102 -2.574 -15.616 -14.219 1.00 23.02 H new ATOM 0 HG3 LYS A 102 -2.492 -16.576 -12.755 1.00 23.02 H new ATOM 0 HD2 LYS A 102 -0.310 -14.683 -13.721 1.00 13.25 H new ATOM 0 HD3 LYS A 102 -1.492 -14.303 -12.484 1.00 13.25 H new ATOM 0 HE2 LYS A 102 -0.276 -16.821 -11.802 1.00 35.52 H new ATOM 0 HE3 LYS A 102 1.006 -15.697 -12.204 1.00 35.52 H new ATOM 0 HZ1 LYS A 102 0.439 -15.579 -9.866 1.00 23.23 H new ATOM 0 HZ2 LYS A 102 0.070 -14.107 -10.627 1.00 23.23 H new ATOM 0 HZ3 LYS A 102 -1.173 -15.196 -10.237 1.00 23.23 H new ATOM 1457 N ALA A 103 -3.920 -18.447 -13.449 1.00 41.14 N ATOM 1458 CA ALA A 103 -4.744 -19.121 -12.454 1.00 71.21 C ATOM 1459 C ALA A 103 -5.267 -20.452 -12.985 1.00 0.23 C ATOM 1460 O ALA A 103 -5.211 -21.470 -12.296 1.00 2.34 O ATOM 1461 CB ALA A 103 -5.901 -18.227 -12.034 1.00 32.13 C ATOM 0 H ALA A 103 -4.242 -17.512 -13.700 1.00 41.14 H new ATOM 0 HA ALA A 103 -4.123 -19.326 -11.582 1.00 71.21 H new ATOM 0 HB1 ALA A 103 -6.508 -18.743 -11.290 1.00 32.13 H new ATOM 0 HB2 ALA A 103 -5.511 -17.304 -11.606 1.00 32.13 H new ATOM 0 HB3 ALA A 103 -6.514 -17.993 -12.904 1.00 32.13 H new ATOM 1467 N GLU A 104 -5.776 -20.435 -14.213 1.00 24.32 N ATOM 1468 CA GLU A 104 -6.310 -21.642 -14.834 1.00 2.41 C ATOM 1469 C GLU A 104 -5.196 -22.643 -15.125 1.00 44.33 C ATOM 1470 O GLU A 104 -5.389 -23.852 -15.011 1.00 32.45 O ATOM 1471 CB GLU A 104 -7.048 -21.292 -16.128 1.00 5.20 C ATOM 1472 CG GLU A 104 -8.557 -21.431 -16.025 1.00 30.31 C ATOM 1473 CD GLU A 104 -9.129 -22.369 -17.071 1.00 11.35 C ATOM 1474 OE1 GLU A 104 -9.644 -23.440 -16.688 1.00 32.14 O ATOM 1475 OE2 GLU A 104 -9.062 -22.032 -18.271 1.00 3.51 O ATOM 0 H GLU A 104 -5.830 -19.600 -14.797 1.00 24.32 H new ATOM 0 HA GLU A 104 -7.012 -22.099 -14.136 1.00 2.41 H new ATOM 0 HB2 GLU A 104 -6.804 -20.268 -16.409 1.00 5.20 H new ATOM 0 HB3 GLU A 104 -6.686 -21.937 -16.929 1.00 5.20 H new ATOM 0 HG2 GLU A 104 -8.817 -21.798 -15.032 1.00 30.31 H new ATOM 0 HG3 GLU A 104 -9.017 -20.449 -16.133 1.00 30.31 H new ATOM 1482 N GLU A 105 -4.030 -22.128 -15.503 1.00 64.15 N ATOM 1483 CA GLU A 105 -2.885 -22.977 -15.813 1.00 11.02 C ATOM 1484 C GLU A 105 -2.487 -23.816 -14.602 1.00 72.30 C ATOM 1485 O GLU A 105 -2.444 -25.045 -14.672 1.00 53.15 O ATOM 1486 CB GLU A 105 -1.699 -22.125 -16.269 1.00 24.22 C ATOM 1487 CG GLU A 105 -0.457 -22.937 -16.598 1.00 74.34 C ATOM 1488 CD GLU A 105 0.136 -22.575 -17.946 1.00 3.42 C ATOM 1489 OE1 GLU A 105 1.373 -22.417 -18.025 1.00 73.15 O ATOM 1490 OE2 GLU A 105 -0.635 -22.448 -18.920 1.00 24.12 O ATOM 0 H GLU A 105 -3.853 -21.128 -15.602 1.00 64.15 H new ATOM 0 HA GLU A 105 -3.172 -23.650 -16.621 1.00 11.02 H new ATOM 0 HB2 GLU A 105 -1.991 -21.551 -17.149 1.00 24.22 H new ATOM 0 HB3 GLU A 105 -1.456 -21.406 -15.486 1.00 24.22 H new ATOM 0 HG2 GLU A 105 0.292 -22.780 -15.822 1.00 74.34 H new ATOM 0 HG3 GLU A 105 -0.708 -23.998 -16.589 1.00 74.34 H new ATOM 1497 N ILE A 106 -2.197 -23.144 -13.493 1.00 63.04 N ATOM 1498 CA ILE A 106 -1.803 -23.827 -12.267 1.00 61.14 C ATOM 1499 C ILE A 106 -2.910 -24.753 -11.774 1.00 43.21 C ATOM 1500 O ILE A 106 -2.641 -25.822 -11.227 1.00 42.11 O ATOM 1501 CB ILE A 106 -1.452 -22.825 -11.152 1.00 53.41 C ATOM 1502 CG1 ILE A 106 -1.027 -23.567 -9.884 1.00 32.52 C ATOM 1503 CG2 ILE A 106 -2.637 -21.914 -10.867 1.00 51.20 C ATOM 1504 CD1 ILE A 106 0.167 -24.474 -10.086 1.00 13.01 C ATOM 0 H ILE A 106 -2.227 -22.127 -13.418 1.00 63.04 H new ATOM 0 HA ILE A 106 -0.918 -24.417 -12.505 1.00 61.14 H new ATOM 0 HB ILE A 106 -0.617 -22.209 -11.487 1.00 53.41 H new ATOM 0 HG12 ILE A 106 -0.792 -22.839 -9.108 1.00 32.52 H new ATOM 0 HG13 ILE A 106 -1.866 -24.160 -9.521 1.00 32.52 H new ATOM 0 HG21 ILE A 106 -2.374 -21.211 -10.077 1.00 51.20 H new ATOM 0 HG22 ILE A 106 -2.898 -21.363 -11.771 1.00 51.20 H new ATOM 0 HG23 ILE A 106 -3.489 -22.514 -10.549 1.00 51.20 H new ATOM 0 HD11 ILE A 106 0.412 -24.967 -9.146 1.00 13.01 H new ATOM 0 HD12 ILE A 106 -0.070 -25.225 -10.839 1.00 13.01 H new ATOM 0 HD13 ILE A 106 1.020 -23.883 -10.419 1.00 13.01 H new ATOM 1516 N ALA A 107 -4.155 -24.335 -11.973 1.00 55.00 N ATOM 1517 CA ALA A 107 -5.304 -25.128 -11.552 1.00 64.21 C ATOM 1518 C ALA A 107 -5.249 -26.532 -12.146 1.00 2.41 C ATOM 1519 O ALA A 107 -5.614 -27.507 -11.491 1.00 75.44 O ATOM 1520 CB ALA A 107 -6.598 -24.435 -11.950 1.00 14.03 C ATOM 0 H ALA A 107 -4.394 -23.452 -12.423 1.00 55.00 H new ATOM 0 HA ALA A 107 -5.273 -25.219 -10.466 1.00 64.21 H new ATOM 0 HB1 ALA A 107 -7.447 -25.038 -11.629 1.00 14.03 H new ATOM 0 HB2 ALA A 107 -6.648 -23.456 -11.473 1.00 14.03 H new ATOM 0 HB3 ALA A 107 -6.627 -24.313 -13.033 1.00 14.03 H new ATOM 1526 N ALA A 108 -4.790 -26.625 -13.390 1.00 33.32 N ATOM 1527 CA ALA A 108 -4.687 -27.910 -14.071 1.00 44.30 C ATOM 1528 C ALA A 108 -3.635 -28.797 -13.413 1.00 43.45 C ATOM 1529 O ALA A 108 -3.847 -29.994 -13.225 1.00 34.53 O ATOM 1530 CB ALA A 108 -4.359 -27.702 -15.542 1.00 54.24 C ATOM 0 H ALA A 108 -4.484 -25.827 -13.946 1.00 33.32 H new ATOM 0 HA ALA A 108 -5.650 -28.414 -13.992 1.00 44.30 H new ATOM 0 HB1 ALA A 108 -4.285 -28.669 -16.039 1.00 54.24 H new ATOM 0 HB2 ALA A 108 -5.147 -27.113 -16.011 1.00 54.24 H new ATOM 0 HB3 ALA A 108 -3.409 -27.174 -15.632 1.00 54.24 H new ATOM 1536 N LYS A 109 -2.499 -28.201 -13.067 1.00 25.32 N ATOM 1537 CA LYS A 109 -1.413 -28.936 -12.429 1.00 65.35 C ATOM 1538 C LYS A 109 -1.828 -29.431 -11.048 1.00 21.32 C ATOM 1539 O LYS A 109 -1.757 -30.626 -10.757 1.00 44.42 O ATOM 1540 CB LYS A 109 -0.169 -28.051 -12.313 1.00 74.44 C ATOM 1541 CG LYS A 109 0.450 -27.693 -13.653 1.00 74.35 C ATOM 1542 CD LYS A 109 1.921 -28.069 -13.706 1.00 40.42 C ATOM 1543 CE LYS A 109 2.788 -27.024 -13.020 1.00 14.03 C ATOM 1544 NZ LYS A 109 3.558 -26.210 -14.001 1.00 32.51 N ATOM 0 H LYS A 109 -2.306 -27.211 -13.218 1.00 25.32 H new ATOM 0 HA LYS A 109 -1.180 -29.801 -13.050 1.00 65.35 H new ATOM 0 HB2 LYS A 109 -0.434 -27.133 -11.788 1.00 74.44 H new ATOM 0 HB3 LYS A 109 0.576 -28.563 -11.704 1.00 74.44 H new ATOM 0 HG2 LYS A 109 -0.087 -28.206 -14.451 1.00 74.35 H new ATOM 0 HG3 LYS A 109 0.340 -26.623 -13.831 1.00 74.35 H new ATOM 0 HD2 LYS A 109 2.068 -29.037 -13.227 1.00 40.42 H new ATOM 0 HD3 LYS A 109 2.233 -28.177 -14.745 1.00 40.42 H new ATOM 0 HE2 LYS A 109 2.158 -26.368 -12.419 1.00 14.03 H new ATOM 0 HE3 LYS A 109 3.479 -27.517 -12.336 1.00 14.03 H new ATOM 0 HZ1 LYS A 109 4.136 -25.510 -13.494 1.00 32.51 H new ATOM 0 HZ2 LYS A 109 4.178 -26.832 -14.558 1.00 32.51 H new ATOM 0 HZ3 LYS A 109 2.899 -25.719 -14.638 1.00 32.51 H new ATOM 1558 N LYS A 110 -2.263 -28.506 -10.199 1.00 74.22 N ATOM 1559 CA LYS A 110 -2.693 -28.848 -8.849 1.00 13.05 C ATOM 1560 C LYS A 110 -4.181 -29.183 -8.820 1.00 11.15 C ATOM 1561 O LYS A 110 -4.594 -30.166 -8.204 1.00 12.13 O ATOM 1562 CB LYS A 110 -2.401 -27.691 -7.890 1.00 74.12 C ATOM 1563 CG LYS A 110 -0.966 -27.198 -7.951 1.00 60.31 C ATOM 1564 CD LYS A 110 -0.706 -26.109 -6.924 1.00 14.00 C ATOM 1565 CE LYS A 110 0.180 -26.609 -5.794 1.00 2.44 C ATOM 1566 NZ LYS A 110 -0.596 -27.366 -4.773 1.00 71.44 N ATOM 0 H LYS A 110 -2.327 -27.513 -10.423 1.00 74.22 H new ATOM 0 HA LYS A 110 -2.134 -29.727 -8.529 1.00 13.05 H new ATOM 0 HB2 LYS A 110 -3.071 -26.862 -8.119 1.00 74.12 H new ATOM 0 HB3 LYS A 110 -2.624 -28.009 -6.872 1.00 74.12 H new ATOM 0 HG2 LYS A 110 -0.286 -28.032 -7.778 1.00 60.31 H new ATOM 0 HG3 LYS A 110 -0.754 -26.816 -8.949 1.00 60.31 H new ATOM 0 HD2 LYS A 110 -0.232 -25.256 -7.409 1.00 14.00 H new ATOM 0 HD3 LYS A 110 -1.654 -25.758 -6.516 1.00 14.00 H new ATOM 0 HE2 LYS A 110 0.963 -27.248 -6.202 1.00 2.44 H new ATOM 0 HE3 LYS A 110 0.675 -25.762 -5.319 1.00 2.44 H new ATOM 0 HZ1 LYS A 110 0.044 -27.690 -4.020 1.00 71.44 H new ATOM 0 HZ2 LYS A 110 -1.327 -26.749 -4.365 1.00 71.44 H new ATOM 0 HZ3 LYS A 110 -1.048 -28.189 -5.220 1.00 71.44 H new