USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 889 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 86 THR OG1 : rot 96:sc= 0.314 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.632 K(o=0.95,f=0) USER MOD Set 2.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 174:sc= 0.915 (180deg=0.884) USER MOD Set 3.1: A 56 TYR OH : rot 43:sc= 0.631 USER MOD Set 3.2: A 69 HIS : no HE2:sc= -1.04! C(o=-0.4!,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.0766 (180deg=-0.143) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.181) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -168:sc= -0.416 USER MOD Single : A 7 TYR OH : rot 162:sc= 0.595 USER MOD Single : A 16 SER OG : rot 180:sc=-0.00786 USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 0.783 (180deg=0.663) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.126 USER MOD Single : A 23 THR OG1 : rot 141:sc= 0.0548 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.667 K(o=-0.67,f=-8.1!) USER MOD Single : A 40 ASN : amide:sc= 1.96 K(o=2,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -1.36 (180deg=-2.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000983 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -141:sc= -0.195 (180deg=-0.718) USER MOD Single : A 71 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.5) USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 0.565 (180deg=0.00327) USER MOD Single : A 83 GLN : amide:sc= -0.0266 K(o=-0.027,f=-2.4) USER MOD Single : A 89 LYS NZ :NH3+ -166:sc= -0.0472 (180deg=-0.293) USER MOD Single : A 90 TYR OH : rot -166:sc= -1.42! USER MOD Single : A 91 LYS NZ :NH3+ -126:sc= -0.039 (180deg=-1.95!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.36 K(o=0.55,f=-2) USER MOD Single : A 97 THR OG1 : rot 106:sc= 0.0512 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= -0.0626 (180deg=-0.325) USER MOD Single : A 108 LYS NZ :NH3+ -153:sc= 0.609 (180deg=0.274) USER MOD Single : A 109 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.729) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 146:sc= 0.667 (180deg=0.184) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.871 -9.118 16.777 1.00 54.15 N ATOM 2 CA MET A 1 3.731 -9.112 15.569 1.00 21.03 C ATOM 3 C MET A 1 4.926 -10.029 15.756 1.00 41.01 C ATOM 4 O MET A 1 5.582 -10.004 16.800 1.00 62.10 O ATOM 5 CB MET A 1 4.224 -7.696 15.253 1.00 34.11 C ATOM 6 CG MET A 1 3.168 -6.804 14.619 1.00 24.22 C ATOM 7 SD MET A 1 3.670 -5.073 14.483 1.00 25.43 S ATOM 8 CE MET A 1 5.097 -5.179 13.400 1.00 12.45 C ATOM 0 H1 MET A 1 2.051 -8.498 16.622 1.00 54.15 H new ATOM 0 H2 MET A 1 2.542 -10.087 16.964 1.00 54.15 H new ATOM 0 H3 MET A 1 3.416 -8.774 17.593 1.00 54.15 H new ATOM 0 HA MET A 1 3.128 -9.472 14.735 1.00 21.03 H new ATOM 0 HB2 MET A 1 4.574 -7.230 16.174 1.00 34.11 H new ATOM 0 HB3 MET A 1 5.081 -7.761 14.583 1.00 34.11 H new ATOM 0 HG2 MET A 1 2.932 -7.184 13.625 1.00 24.22 H new ATOM 0 HG3 MET A 1 2.253 -6.863 15.208 1.00 24.22 H new ATOM 0 HE1 MET A 1 5.428 -4.175 13.134 1.00 12.45 H new ATOM 0 HE2 MET A 1 5.904 -5.703 13.912 1.00 12.45 H new ATOM 0 HE3 MET A 1 4.827 -5.724 12.495 1.00 12.45 H new ATOM 20 N LYS A 2 5.193 -10.839 14.742 1.00 60.44 N ATOM 21 CA LYS A 2 6.345 -11.738 14.743 1.00 30.15 C ATOM 22 C LYS A 2 7.119 -11.571 13.435 1.00 65.24 C ATOM 23 O LYS A 2 6.646 -10.873 12.536 1.00 4.44 O ATOM 24 CB LYS A 2 5.906 -13.217 14.945 1.00 70.11 C ATOM 25 CG LYS A 2 5.411 -13.959 13.690 1.00 63.31 C ATOM 26 CD LYS A 2 3.986 -13.611 13.292 1.00 34.11 C ATOM 27 CE LYS A 2 2.972 -14.254 14.225 1.00 0.02 C ATOM 28 NZ LYS A 2 2.907 -15.728 14.058 1.00 62.14 N ATOM 0 H LYS A 2 4.623 -10.894 13.898 1.00 60.44 H new ATOM 0 HA LYS A 2 6.994 -11.478 15.579 1.00 30.15 H new ATOM 0 HB2 LYS A 2 6.749 -13.770 15.360 1.00 70.11 H new ATOM 0 HB3 LYS A 2 5.112 -13.239 15.691 1.00 70.11 H new ATOM 0 HG2 LYS A 2 6.077 -13.730 12.858 1.00 63.31 H new ATOM 0 HG3 LYS A 2 5.477 -15.033 13.865 1.00 63.31 H new ATOM 0 HD2 LYS A 2 3.858 -12.529 13.305 1.00 34.11 H new ATOM 0 HD3 LYS A 2 3.802 -13.942 12.270 1.00 34.11 H new ATOM 0 HE2 LYS A 2 3.231 -14.019 15.257 1.00 0.02 H new ATOM 0 HE3 LYS A 2 1.987 -13.826 14.038 1.00 0.02 H new ATOM 0 HZ1 LYS A 2 2.046 -16.091 14.514 1.00 62.14 H new ATOM 0 HZ2 LYS A 2 2.887 -15.962 13.045 1.00 62.14 H new ATOM 0 HZ3 LYS A 2 3.742 -16.164 14.498 1.00 62.14 H new ATOM 42 N ASP A 3 8.300 -12.199 13.351 1.00 44.21 N ATOM 43 CA ASP A 3 9.054 -12.314 12.097 1.00 53.55 C ATOM 44 C ASP A 3 8.208 -13.062 11.064 1.00 45.20 C ATOM 45 O ASP A 3 7.921 -14.253 11.211 1.00 61.10 O ATOM 46 CB ASP A 3 10.384 -13.049 12.349 1.00 75.45 C ATOM 47 CG ASP A 3 11.239 -13.247 11.102 1.00 63.30 C ATOM 48 OD1 ASP A 3 11.041 -14.243 10.379 1.00 11.10 O ATOM 49 OD2 ASP A 3 12.143 -12.438 10.868 1.00 70.13 O ATOM 0 H ASP A 3 8.758 -12.640 14.149 1.00 44.21 H new ATOM 0 HA ASP A 3 9.281 -11.320 11.713 1.00 53.55 H new ATOM 0 HB2 ASP A 3 10.961 -12.489 13.085 1.00 75.45 H new ATOM 0 HB3 ASP A 3 10.169 -14.024 12.786 1.00 75.45 H new ATOM 54 N GLY A 4 7.795 -12.333 10.052 1.00 21.53 N ATOM 55 CA GLY A 4 6.884 -12.851 9.067 1.00 25.40 C ATOM 56 C GLY A 4 6.392 -11.750 8.170 1.00 40.35 C ATOM 57 O GLY A 4 6.520 -10.571 8.497 1.00 4.44 O ATOM 0 H GLY A 4 8.082 -11.367 9.892 1.00 21.53 H new ATOM 0 HA2 GLY A 4 7.381 -13.617 8.472 1.00 25.40 H new ATOM 0 HA3 GLY A 4 6.039 -13.329 9.562 1.00 25.40 H new ATOM 61 N THR A 5 5.833 -12.123 7.043 1.00 71.31 N ATOM 62 CA THR A 5 5.343 -11.150 6.097 1.00 51.30 C ATOM 63 C THR A 5 3.837 -11.021 6.258 1.00 12.21 C ATOM 64 O THR A 5 3.153 -11.995 6.526 1.00 13.44 O ATOM 65 CB THR A 5 5.707 -11.546 4.656 1.00 21.21 C ATOM 66 OG1 THR A 5 7.081 -11.947 4.598 1.00 34.34 O ATOM 67 CG2 THR A 5 5.486 -10.392 3.699 1.00 1.32 C ATOM 0 H THR A 5 5.706 -13.094 6.759 1.00 71.31 H new ATOM 0 HA THR A 5 5.814 -10.187 6.296 1.00 51.30 H new ATOM 0 HB THR A 5 5.062 -12.373 4.360 1.00 21.21 H new ATOM 0 HG1 THR A 5 7.309 -12.200 3.679 1.00 34.34 H new ATOM 0 HG21 THR A 5 5.752 -10.702 2.688 1.00 1.32 H new ATOM 0 HG22 THR A 5 4.438 -10.095 3.724 1.00 1.32 H new ATOM 0 HG23 THR A 5 6.109 -9.549 3.996 1.00 1.32 H new ATOM 75 N TYR A 6 3.359 -9.806 6.153 1.00 44.14 N ATOM 76 CA TYR A 6 1.954 -9.494 6.299 1.00 1.22 C ATOM 77 C TYR A 6 1.475 -8.854 5.025 1.00 62.31 C ATOM 78 O TYR A 6 2.205 -8.094 4.425 1.00 2.13 O ATOM 79 CB TYR A 6 1.755 -8.514 7.458 1.00 44.41 C ATOM 80 CG TYR A 6 2.154 -9.056 8.810 1.00 44.24 C ATOM 81 CD1 TYR A 6 3.476 -9.028 9.244 1.00 53.02 C ATOM 82 CD2 TYR A 6 1.207 -9.596 9.646 1.00 13.43 C ATOM 83 CE1 TYR A 6 3.827 -9.520 10.484 1.00 31.43 C ATOM 84 CE2 TYR A 6 1.549 -10.080 10.879 1.00 50.23 C ATOM 85 CZ TYR A 6 2.855 -10.049 11.295 1.00 43.23 C ATOM 86 OH TYR A 6 3.177 -10.527 12.541 1.00 65.22 O ATOM 0 H TYR A 6 3.942 -8.991 5.961 1.00 44.14 H new ATOM 0 HA TYR A 6 1.393 -10.406 6.504 1.00 1.22 H new ATOM 0 HB2 TYR A 6 2.332 -7.611 7.257 1.00 44.41 H new ATOM 0 HB3 TYR A 6 0.706 -8.220 7.493 1.00 44.41 H new ATOM 0 HD1 TYR A 6 4.239 -8.615 8.600 1.00 53.02 H new ATOM 0 HD2 TYR A 6 0.177 -9.639 9.325 1.00 13.43 H new ATOM 0 HE1 TYR A 6 4.855 -9.489 10.813 1.00 31.43 H new ATOM 0 HE2 TYR A 6 0.787 -10.488 11.527 1.00 50.23 H new ATOM 0 HH TYR A 6 2.420 -11.034 12.903 1.00 65.22 H new ATOM 96 N TYR A 7 0.281 -9.176 4.585 1.00 35.42 N ATOM 97 CA TYR A 7 -0.291 -8.474 3.452 1.00 2.14 C ATOM 98 C TYR A 7 -1.778 -8.261 3.691 1.00 54.12 C ATOM 99 O TYR A 7 -2.412 -9.036 4.404 1.00 21.33 O ATOM 100 CB TYR A 7 0.019 -9.223 2.121 1.00 61.30 C ATOM 101 CG TYR A 7 -1.159 -9.887 1.431 1.00 25.32 C ATOM 102 CD1 TYR A 7 -1.564 -11.168 1.778 1.00 35.43 C ATOM 103 CD2 TYR A 7 -1.868 -9.218 0.442 1.00 74.33 C ATOM 104 CE1 TYR A 7 -2.643 -11.761 1.163 1.00 70.54 C ATOM 105 CE2 TYR A 7 -2.953 -9.802 -0.176 1.00 75.41 C ATOM 106 CZ TYR A 7 -3.336 -11.077 0.189 1.00 42.15 C ATOM 107 OH TYR A 7 -4.416 -11.673 -0.415 1.00 31.44 O ATOM 0 H TYR A 7 -0.308 -9.907 4.984 1.00 35.42 H new ATOM 0 HA TYR A 7 0.167 -7.490 3.352 1.00 2.14 H new ATOM 0 HB2 TYR A 7 0.467 -8.513 1.426 1.00 61.30 H new ATOM 0 HB3 TYR A 7 0.770 -9.986 2.325 1.00 61.30 H new ATOM 0 HD1 TYR A 7 -1.024 -11.708 2.542 1.00 35.43 H new ATOM 0 HD2 TYR A 7 -1.564 -8.223 0.152 1.00 74.33 H new ATOM 0 HE1 TYR A 7 -2.945 -12.759 1.443 1.00 70.54 H new ATOM 0 HE2 TYR A 7 -3.499 -9.267 -0.939 1.00 75.41 H new ATOM 0 HH TYR A 7 -4.964 -10.989 -0.854 1.00 31.44 H new ATOM 117 N ALA A 8 -2.313 -7.198 3.122 1.00 41.12 N ATOM 118 CA ALA A 8 -3.745 -6.985 3.090 1.00 53.52 C ATOM 119 C ALA A 8 -4.127 -6.381 1.766 1.00 13.11 C ATOM 120 O ALA A 8 -3.400 -5.543 1.246 1.00 61.44 O ATOM 121 CB ALA A 8 -4.183 -6.078 4.215 1.00 71.24 C ATOM 0 H ALA A 8 -1.770 -6.462 2.671 1.00 41.12 H new ATOM 0 HA ALA A 8 -4.245 -7.945 3.217 1.00 53.52 H new ATOM 0 HB1 ALA A 8 -5.262 -5.935 4.168 1.00 71.24 H new ATOM 0 HB2 ALA A 8 -3.919 -6.530 5.171 1.00 71.24 H new ATOM 0 HB3 ALA A 8 -3.684 -5.113 4.120 1.00 71.24 H new ATOM 127 N GLU A 9 -5.267 -6.780 1.234 1.00 74.21 N ATOM 128 CA GLU A 9 -5.727 -6.250 -0.037 1.00 3.14 C ATOM 129 C GLU A 9 -6.964 -5.407 0.205 1.00 13.43 C ATOM 130 O GLU A 9 -7.684 -5.617 1.197 1.00 15.00 O ATOM 131 CB GLU A 9 -6.016 -7.382 -1.042 1.00 43.34 C ATOM 132 CG GLU A 9 -7.198 -8.270 -0.683 1.00 12.41 C ATOM 133 CD GLU A 9 -7.406 -9.409 -1.656 1.00 42.35 C ATOM 134 OE1 GLU A 9 -6.468 -10.200 -1.864 1.00 0.42 O ATOM 135 OE2 GLU A 9 -8.524 -9.541 -2.188 1.00 31.40 O ATOM 0 H GLU A 9 -5.890 -7.467 1.660 1.00 74.21 H new ATOM 0 HA GLU A 9 -4.944 -5.630 -0.474 1.00 3.14 H new ATOM 0 HB2 GLU A 9 -6.196 -6.941 -2.022 1.00 43.34 H new ATOM 0 HB3 GLU A 9 -5.126 -8.005 -1.131 1.00 43.34 H new ATOM 0 HG2 GLU A 9 -7.047 -8.678 0.317 1.00 12.41 H new ATOM 0 HG3 GLU A 9 -8.102 -7.663 -0.646 1.00 12.41 H new ATOM 142 N ALA A 10 -7.170 -4.416 -0.659 1.00 73.53 N ATOM 143 CA ALA A 10 -8.325 -3.532 -0.568 1.00 32.40 C ATOM 144 C ALA A 10 -9.620 -4.316 -0.786 1.00 14.35 C ATOM 145 O ALA A 10 -9.625 -5.325 -1.499 1.00 63.21 O ATOM 146 CB ALA A 10 -8.196 -2.400 -1.574 1.00 41.13 C ATOM 0 H ALA A 10 -6.544 -4.205 -1.437 1.00 73.53 H new ATOM 0 HA ALA A 10 -8.360 -3.100 0.432 1.00 32.40 H new ATOM 0 HB1 ALA A 10 -9.064 -1.745 -1.498 1.00 41.13 H new ATOM 0 HB2 ALA A 10 -7.291 -1.829 -1.365 1.00 41.13 H new ATOM 0 HB3 ALA A 10 -8.140 -2.813 -2.581 1.00 41.13 H new ATOM 152 N ASP A 11 -10.698 -3.870 -0.134 1.00 45.23 N ATOM 153 CA ASP A 11 -11.998 -4.569 -0.167 1.00 32.40 C ATOM 154 C ASP A 11 -12.526 -4.668 -1.592 1.00 25.11 C ATOM 155 O ASP A 11 -12.837 -5.755 -2.085 1.00 15.13 O ATOM 156 CB ASP A 11 -13.026 -3.837 0.707 1.00 2.31 C ATOM 157 CG ASP A 11 -12.550 -3.635 2.132 1.00 75.23 C ATOM 158 OD1 ASP A 11 -12.662 -4.573 2.945 1.00 31.41 O ATOM 159 OD2 ASP A 11 -12.041 -2.539 2.439 1.00 73.11 O ATOM 0 H ASP A 11 -10.701 -3.020 0.430 1.00 45.23 H new ATOM 0 HA ASP A 11 -11.844 -5.575 0.224 1.00 32.40 H new ATOM 0 HB2 ASP A 11 -13.249 -2.867 0.262 1.00 2.31 H new ATOM 0 HB3 ASP A 11 -13.957 -4.404 0.717 1.00 2.31 H new ATOM 164 N ASP A 12 -12.573 -3.528 -2.254 1.00 61.15 N ATOM 165 CA ASP A 12 -12.931 -3.464 -3.657 1.00 13.53 C ATOM 166 C ASP A 12 -11.743 -2.951 -4.465 1.00 10.42 C ATOM 167 O ASP A 12 -10.638 -2.810 -3.934 1.00 23.33 O ATOM 168 CB ASP A 12 -14.151 -2.557 -3.848 1.00 31.51 C ATOM 169 CG ASP A 12 -15.414 -3.157 -3.263 1.00 72.43 C ATOM 170 OD1 ASP A 12 -16.059 -3.967 -3.950 1.00 62.43 O ATOM 171 OD2 ASP A 12 -15.761 -2.823 -2.112 1.00 24.41 O ATOM 0 H ASP A 12 -12.364 -2.622 -1.835 1.00 61.15 H new ATOM 0 HA ASP A 12 -13.190 -4.462 -4.011 1.00 13.53 H new ATOM 0 HB2 ASP A 12 -13.960 -1.592 -3.379 1.00 31.51 H new ATOM 0 HB3 ASP A 12 -14.299 -2.371 -4.912 1.00 31.51 H new ATOM 176 N PHE A 13 -11.965 -2.686 -5.744 1.00 40.13 N ATOM 177 CA PHE A 13 -10.938 -2.096 -6.589 1.00 75.54 C ATOM 178 C PHE A 13 -11.017 -0.576 -6.492 1.00 71.52 C ATOM 179 O PHE A 13 -12.093 -0.020 -6.251 1.00 5.41 O ATOM 180 CB PHE A 13 -11.090 -2.557 -8.045 1.00 53.51 C ATOM 181 CG PHE A 13 -10.920 -4.043 -8.233 1.00 54.41 C ATOM 182 CD1 PHE A 13 -9.659 -4.601 -8.302 1.00 22.51 C ATOM 183 CD2 PHE A 13 -12.019 -4.876 -8.353 1.00 20.24 C ATOM 184 CE1 PHE A 13 -9.495 -5.961 -8.471 1.00 30.25 C ATOM 185 CE2 PHE A 13 -11.862 -6.238 -8.523 1.00 72.35 C ATOM 186 CZ PHE A 13 -10.594 -6.780 -8.587 1.00 2.22 C ATOM 0 H PHE A 13 -12.848 -2.871 -6.220 1.00 40.13 H new ATOM 0 HA PHE A 13 -9.960 -2.428 -6.242 1.00 75.54 H new ATOM 0 HB2 PHE A 13 -12.075 -2.265 -8.408 1.00 53.51 H new ATOM 0 HB3 PHE A 13 -10.356 -2.036 -8.660 1.00 53.51 H new ATOM 0 HD1 PHE A 13 -8.790 -3.965 -8.223 1.00 22.51 H new ATOM 0 HD2 PHE A 13 -13.013 -4.455 -8.313 1.00 20.24 H new ATOM 0 HE1 PHE A 13 -8.502 -6.383 -8.512 1.00 30.25 H new ATOM 0 HE2 PHE A 13 -12.729 -6.877 -8.606 1.00 72.35 H new ATOM 0 HZ PHE A 13 -10.465 -7.843 -8.728 1.00 2.22 H new ATOM 196 N ASP A 14 -9.872 0.082 -6.665 1.00 52.04 N ATOM 197 CA ASP A 14 -9.778 1.545 -6.583 1.00 22.04 C ATOM 198 C ASP A 14 -10.335 2.197 -7.856 1.00 4.14 C ATOM 199 O ASP A 14 -10.850 1.504 -8.737 1.00 3.42 O ATOM 200 CB ASP A 14 -8.319 1.973 -6.369 1.00 62.32 C ATOM 201 CG ASP A 14 -8.176 3.140 -5.408 1.00 53.42 C ATOM 202 OD1 ASP A 14 -8.437 4.287 -5.802 1.00 25.43 O ATOM 203 OD2 ASP A 14 -7.824 2.907 -4.246 1.00 72.41 O ATOM 0 H ASP A 14 -8.984 -0.379 -6.865 1.00 52.04 H new ATOM 0 HA ASP A 14 -10.374 1.879 -5.734 1.00 22.04 H new ATOM 0 HB2 ASP A 14 -7.750 1.125 -5.989 1.00 62.32 H new ATOM 0 HB3 ASP A 14 -7.882 2.245 -7.330 1.00 62.32 H new ATOM 208 N GLU A 15 -10.196 3.518 -7.960 1.00 62.22 N ATOM 209 CA GLU A 15 -10.779 4.302 -9.050 1.00 12.35 C ATOM 210 C GLU A 15 -10.148 3.941 -10.395 1.00 21.02 C ATOM 211 O GLU A 15 -10.852 3.776 -11.392 1.00 34.33 O ATOM 212 CB GLU A 15 -10.593 5.795 -8.766 1.00 35.22 C ATOM 213 CG GLU A 15 -11.075 6.230 -7.384 1.00 74.13 C ATOM 214 CD GLU A 15 -12.543 5.928 -7.128 1.00 0.53 C ATOM 215 OE1 GLU A 15 -13.409 6.662 -7.648 1.00 62.30 O ATOM 216 OE2 GLU A 15 -12.837 4.968 -6.394 1.00 30.40 O ATOM 0 H GLU A 15 -9.673 4.078 -7.287 1.00 62.22 H new ATOM 0 HA GLU A 15 -11.842 4.070 -9.107 1.00 12.35 H new ATOM 0 HB2 GLU A 15 -9.537 6.044 -8.866 1.00 35.22 H new ATOM 0 HB3 GLU A 15 -11.129 6.368 -9.523 1.00 35.22 H new ATOM 0 HG2 GLU A 15 -10.472 5.731 -6.625 1.00 74.13 H new ATOM 0 HG3 GLU A 15 -10.908 7.301 -7.271 1.00 74.13 H new ATOM 223 N SER A 16 -8.823 3.757 -10.398 1.00 0.00 N ATOM 224 CA SER A 16 -8.102 3.361 -11.606 1.00 40.40 C ATOM 225 C SER A 16 -8.053 1.827 -11.775 1.00 3.52 C ATOM 226 O SER A 16 -7.344 1.316 -12.645 1.00 62.40 O ATOM 227 CB SER A 16 -6.690 3.962 -11.605 1.00 1.13 C ATOM 228 OG SER A 16 -6.748 5.382 -11.625 1.00 53.11 O ATOM 0 H SER A 16 -8.231 3.877 -9.576 1.00 0.00 H new ATOM 0 HA SER A 16 -8.649 3.756 -12.462 1.00 40.40 H new ATOM 0 HB2 SER A 16 -6.148 3.628 -10.720 1.00 1.13 H new ATOM 0 HB3 SER A 16 -6.136 3.603 -12.473 1.00 1.13 H new ATOM 0 HG SER A 16 -5.838 5.747 -11.622 1.00 53.11 H new ATOM 234 N GLY A 17 -8.846 1.114 -10.963 1.00 64.31 N ATOM 235 CA GLY A 17 -9.067 -0.309 -11.152 1.00 43.25 C ATOM 236 C GLY A 17 -7.984 -1.177 -10.556 1.00 52.42 C ATOM 237 O GLY A 17 -7.516 -2.114 -11.206 1.00 62.03 O ATOM 0 H GLY A 17 -9.344 1.512 -10.166 1.00 64.31 H new ATOM 0 HA2 GLY A 17 -10.024 -0.581 -10.707 1.00 43.25 H new ATOM 0 HA3 GLY A 17 -9.141 -0.517 -12.219 1.00 43.25 H new ATOM 241 N TRP A 18 -7.576 -0.863 -9.331 1.00 32.52 N ATOM 242 CA TRP A 18 -6.513 -1.612 -8.668 1.00 30.34 C ATOM 243 C TRP A 18 -6.889 -1.947 -7.231 1.00 53.41 C ATOM 244 O TRP A 18 -7.243 -1.075 -6.454 1.00 62.22 O ATOM 245 CB TRP A 18 -5.195 -0.824 -8.684 1.00 22.12 C ATOM 246 CG TRP A 18 -4.585 -0.680 -10.046 1.00 13.24 C ATOM 247 CD1 TRP A 18 -4.701 0.387 -10.887 1.00 70.34 C ATOM 248 CD2 TRP A 18 -3.764 -1.637 -10.725 1.00 34.15 C ATOM 249 NE1 TRP A 18 -4.005 0.152 -12.044 1.00 30.32 N ATOM 250 CE2 TRP A 18 -3.414 -1.079 -11.964 1.00 45.35 C ATOM 251 CE3 TRP A 18 -3.285 -2.907 -10.404 1.00 22.54 C ATOM 252 CZ2 TRP A 18 -2.609 -1.747 -12.876 1.00 25.14 C ATOM 253 CZ3 TRP A 18 -2.485 -3.569 -11.310 1.00 12.12 C ATOM 254 CH2 TRP A 18 -2.151 -2.986 -12.533 1.00 13.14 C ATOM 0 H TRP A 18 -7.963 -0.098 -8.778 1.00 32.52 H new ATOM 0 HA TRP A 18 -6.378 -2.542 -9.221 1.00 30.34 H new ATOM 0 HB2 TRP A 18 -5.372 0.169 -8.270 1.00 22.12 H new ATOM 0 HB3 TRP A 18 -4.480 -1.320 -8.028 1.00 22.12 H new ATOM 0 HD1 TRP A 18 -5.260 1.286 -10.673 1.00 70.34 H new ATOM 0 HE1 TRP A 18 -3.939 0.791 -12.836 1.00 30.32 H new ATOM 0 HE3 TRP A 18 -3.537 -3.365 -9.459 1.00 22.54 H new ATOM 0 HZ2 TRP A 18 -2.353 -1.301 -13.826 1.00 25.14 H new ATOM 0 HZ3 TRP A 18 -2.111 -4.553 -11.070 1.00 12.12 H new ATOM 0 HH2 TRP A 18 -1.518 -3.526 -13.222 1.00 13.14 H new ATOM 265 N LYS A 19 -6.820 -3.220 -6.889 1.00 51.13 N ATOM 266 CA LYS A 19 -7.013 -3.657 -5.520 1.00 71.20 C ATOM 267 C LYS A 19 -5.668 -3.586 -4.834 1.00 14.43 C ATOM 268 O LYS A 19 -4.875 -4.524 -4.904 1.00 34.04 O ATOM 269 CB LYS A 19 -7.557 -5.088 -5.523 1.00 52.30 C ATOM 270 CG LYS A 19 -7.850 -5.690 -4.172 1.00 15.55 C ATOM 271 CD LYS A 19 -8.247 -7.143 -4.339 1.00 51.44 C ATOM 272 CE LYS A 19 -9.725 -7.317 -4.652 1.00 40.05 C ATOM 273 NZ LYS A 19 -10.534 -7.381 -3.409 1.00 24.21 N ATOM 0 H LYS A 19 -6.630 -3.975 -7.548 1.00 51.13 H new ATOM 0 HA LYS A 19 -7.729 -3.028 -4.992 1.00 71.20 H new ATOM 0 HB2 LYS A 19 -8.474 -5.105 -6.112 1.00 52.30 H new ATOM 0 HB3 LYS A 19 -6.837 -5.727 -6.035 1.00 52.30 H new ATOM 0 HG2 LYS A 19 -6.972 -5.614 -3.530 1.00 15.55 H new ATOM 0 HG3 LYS A 19 -8.652 -5.137 -3.682 1.00 15.55 H new ATOM 0 HD2 LYS A 19 -7.656 -7.587 -5.140 1.00 51.44 H new ATOM 0 HD3 LYS A 19 -8.007 -7.688 -3.426 1.00 51.44 H new ATOM 0 HE2 LYS A 19 -10.068 -6.487 -5.270 1.00 40.05 H new ATOM 0 HE3 LYS A 19 -9.872 -8.228 -5.232 1.00 40.05 H new ATOM 0 HZ1 LYS A 19 -11.532 -7.194 -3.634 1.00 24.21 H new ATOM 0 HZ2 LYS A 19 -10.446 -8.327 -2.986 1.00 24.21 H new ATOM 0 HZ3 LYS A 19 -10.192 -6.667 -2.735 1.00 24.21 H new ATOM 287 N ASP A 20 -5.412 -2.461 -4.188 1.00 73.34 N ATOM 288 CA ASP A 20 -4.084 -2.163 -3.698 1.00 41.23 C ATOM 289 C ASP A 20 -3.789 -2.890 -2.408 1.00 62.04 C ATOM 290 O ASP A 20 -4.573 -2.877 -1.456 1.00 64.14 O ATOM 291 CB ASP A 20 -3.870 -0.659 -3.558 1.00 0.44 C ATOM 292 CG ASP A 20 -3.616 0.012 -4.904 1.00 34.11 C ATOM 293 OD1 ASP A 20 -2.475 -0.091 -5.426 1.00 24.14 O ATOM 294 OD2 ASP A 20 -4.549 0.629 -5.444 1.00 42.04 O ATOM 0 H ASP A 20 -6.108 -1.742 -3.993 1.00 73.34 H new ATOM 0 HA ASP A 20 -3.373 -2.527 -4.440 1.00 41.23 H new ATOM 0 HB2 ASP A 20 -4.746 -0.211 -3.089 1.00 0.44 H new ATOM 0 HB3 ASP A 20 -3.024 -0.474 -2.896 1.00 0.44 H new ATOM 299 N THR A 21 -2.648 -3.550 -2.420 1.00 55.25 N ATOM 300 CA THR A 21 -2.214 -4.384 -1.331 1.00 73.34 C ATOM 301 C THR A 21 -0.986 -3.754 -0.695 1.00 32.35 C ATOM 302 O THR A 21 -0.111 -3.218 -1.391 1.00 70.44 O ATOM 303 CB THR A 21 -1.882 -5.846 -1.787 1.00 21.44 C ATOM 304 OG1 THR A 21 -0.640 -5.902 -2.493 1.00 15.31 O ATOM 305 CG2 THR A 21 -2.968 -6.421 -2.691 1.00 43.32 C ATOM 0 H THR A 21 -1.991 -3.518 -3.200 1.00 55.25 H new ATOM 0 HA THR A 21 -3.032 -4.454 -0.614 1.00 73.34 H new ATOM 0 HB THR A 21 -1.819 -6.439 -0.875 1.00 21.44 H new ATOM 0 HG1 THR A 21 -0.380 -6.838 -2.624 1.00 15.31 H new ATOM 0 HG21 THR A 21 -2.698 -7.436 -2.984 1.00 43.32 H new ATOM 0 HG22 THR A 21 -3.917 -6.438 -2.154 1.00 43.32 H new ATOM 0 HG23 THR A 21 -3.066 -5.800 -3.582 1.00 43.32 H new ATOM 313 N VAL A 22 -0.942 -3.783 0.619 1.00 23.43 N ATOM 314 CA VAL A 22 0.189 -3.237 1.347 1.00 70.22 C ATOM 315 C VAL A 22 0.854 -4.366 2.117 1.00 35.14 C ATOM 316 O VAL A 22 0.305 -4.905 3.085 1.00 4.53 O ATOM 317 CB VAL A 22 -0.206 -2.056 2.284 1.00 1.34 C ATOM 318 CG1 VAL A 22 1.004 -1.528 3.043 1.00 43.43 C ATOM 319 CG2 VAL A 22 -0.840 -0.919 1.487 1.00 42.31 C ATOM 0 H VAL A 22 -1.675 -4.178 1.208 1.00 23.43 H new ATOM 0 HA VAL A 22 0.892 -2.811 0.631 1.00 70.22 H new ATOM 0 HB VAL A 22 -0.932 -2.439 3.001 1.00 1.34 H new ATOM 0 HG11 VAL A 22 0.698 -0.705 3.689 1.00 43.43 H new ATOM 0 HG12 VAL A 22 1.429 -2.327 3.651 1.00 43.43 H new ATOM 0 HG13 VAL A 22 1.752 -1.174 2.334 1.00 43.43 H new ATOM 0 HG21 VAL A 22 -1.107 -0.106 2.162 1.00 42.31 H new ATOM 0 HG22 VAL A 22 -0.130 -0.555 0.744 1.00 42.31 H new ATOM 0 HG23 VAL A 22 -1.736 -1.283 0.984 1.00 42.31 H new ATOM 329 N THR A 23 2.020 -4.742 1.628 1.00 34.15 N ATOM 330 CA THR A 23 2.751 -5.867 2.150 1.00 43.34 C ATOM 331 C THR A 23 3.826 -5.393 3.136 1.00 3.13 C ATOM 332 O THR A 23 4.796 -4.758 2.754 1.00 42.05 O ATOM 333 CB THR A 23 3.405 -6.658 0.999 1.00 40.01 C ATOM 334 OG1 THR A 23 2.480 -6.811 -0.089 1.00 22.34 O ATOM 335 CG2 THR A 23 3.842 -8.026 1.473 1.00 65.14 C ATOM 0 H THR A 23 2.484 -4.269 0.853 1.00 34.15 H new ATOM 0 HA THR A 23 2.054 -6.519 2.676 1.00 43.34 H new ATOM 0 HB THR A 23 4.278 -6.100 0.660 1.00 40.01 H new ATOM 0 HG1 THR A 23 2.956 -6.708 -0.940 1.00 22.34 H new ATOM 0 HG21 THR A 23 4.301 -8.568 0.646 1.00 65.14 H new ATOM 0 HG22 THR A 23 4.565 -7.917 2.281 1.00 65.14 H new ATOM 0 HG23 THR A 23 2.975 -8.580 1.834 1.00 65.14 H new ATOM 343 N ILE A 24 3.636 -5.712 4.401 1.00 5.54 N ATOM 344 CA ILE A 24 4.553 -5.315 5.455 1.00 35.25 C ATOM 345 C ILE A 24 5.544 -6.450 5.705 1.00 20.32 C ATOM 346 O ILE A 24 5.152 -7.537 6.122 1.00 73.32 O ATOM 347 CB ILE A 24 3.773 -4.992 6.765 1.00 55.31 C ATOM 348 CG1 ILE A 24 2.666 -3.955 6.494 1.00 75.41 C ATOM 349 CG2 ILE A 24 4.707 -4.508 7.874 1.00 12.45 C ATOM 350 CD1 ILE A 24 3.168 -2.582 6.072 1.00 22.05 C ATOM 0 H ILE A 24 2.838 -6.256 4.730 1.00 5.54 H new ATOM 0 HA ILE A 24 5.089 -4.417 5.146 1.00 35.25 H new ATOM 0 HB ILE A 24 3.309 -5.916 7.109 1.00 55.31 H new ATOM 0 HG12 ILE A 24 2.009 -4.341 5.715 1.00 75.41 H new ATOM 0 HG13 ILE A 24 2.062 -3.845 7.395 1.00 75.41 H new ATOM 0 HG21 ILE A 24 4.126 -4.293 8.771 1.00 12.45 H new ATOM 0 HG22 ILE A 24 5.442 -5.282 8.095 1.00 12.45 H new ATOM 0 HG23 ILE A 24 5.220 -3.603 7.548 1.00 12.45 H new ATOM 0 HD11 ILE A 24 2.319 -1.920 5.904 1.00 22.05 H new ATOM 0 HD12 ILE A 24 3.800 -2.168 6.858 1.00 22.05 H new ATOM 0 HD13 ILE A 24 3.745 -2.673 5.152 1.00 22.05 H new ATOM 362 N GLU A 25 6.815 -6.204 5.438 1.00 23.23 N ATOM 363 CA GLU A 25 7.833 -7.212 5.670 1.00 65.40 C ATOM 364 C GLU A 25 8.472 -6.989 7.031 1.00 55.20 C ATOM 365 O GLU A 25 9.194 -6.012 7.262 1.00 33.12 O ATOM 366 CB GLU A 25 8.885 -7.220 4.549 1.00 10.41 C ATOM 367 CG GLU A 25 9.991 -8.252 4.748 1.00 34.43 C ATOM 368 CD GLU A 25 10.872 -8.426 3.532 1.00 13.14 C ATOM 369 OE1 GLU A 25 10.337 -8.448 2.406 1.00 34.31 O ATOM 370 OE2 GLU A 25 12.104 -8.539 3.699 1.00 20.52 O ATOM 0 H GLU A 25 7.164 -5.322 5.063 1.00 23.23 H new ATOM 0 HA GLU A 25 7.359 -8.194 5.663 1.00 65.40 H new ATOM 0 HB2 GLU A 25 8.388 -7.413 3.599 1.00 10.41 H new ATOM 0 HB3 GLU A 25 9.334 -6.229 4.478 1.00 10.41 H new ATOM 0 HG2 GLU A 25 10.608 -7.954 5.596 1.00 34.43 H new ATOM 0 HG3 GLU A 25 9.541 -9.212 5.003 1.00 34.43 H new ATOM 377 N VAL A 26 8.147 -7.893 7.942 1.00 64.32 N ATOM 378 CA VAL A 26 8.650 -7.853 9.297 1.00 1.43 C ATOM 379 C VAL A 26 9.724 -8.929 9.472 1.00 52.20 C ATOM 380 O VAL A 26 9.507 -10.105 9.186 1.00 0.23 O ATOM 381 CB VAL A 26 7.492 -8.033 10.327 1.00 24.13 C ATOM 382 CG1 VAL A 26 7.993 -8.049 11.757 1.00 41.11 C ATOM 383 CG2 VAL A 26 6.458 -6.929 10.169 1.00 51.42 C ATOM 0 H VAL A 26 7.523 -8.678 7.756 1.00 64.32 H new ATOM 0 HA VAL A 26 9.098 -6.877 9.485 1.00 1.43 H new ATOM 0 HB VAL A 26 7.035 -9.000 10.118 1.00 24.13 H new ATOM 0 HG11 VAL A 26 7.150 -8.176 12.436 1.00 41.11 H new ATOM 0 HG12 VAL A 26 8.693 -8.874 11.888 1.00 41.11 H new ATOM 0 HG13 VAL A 26 8.497 -7.108 11.977 1.00 41.11 H new ATOM 0 HG21 VAL A 26 5.659 -7.072 10.896 1.00 51.42 H new ATOM 0 HG22 VAL A 26 6.931 -5.961 10.336 1.00 51.42 H new ATOM 0 HG23 VAL A 26 6.042 -6.961 9.162 1.00 51.42 H new ATOM 393 N LYS A 27 10.892 -8.494 9.909 1.00 20.34 N ATOM 394 CA LYS A 27 12.012 -9.371 10.154 1.00 22.14 C ATOM 395 C LYS A 27 12.662 -8.969 11.468 1.00 15.13 C ATOM 396 O LYS A 27 12.918 -7.784 11.687 1.00 1.12 O ATOM 397 CB LYS A 27 12.993 -9.282 8.986 1.00 64.32 C ATOM 398 CG LYS A 27 14.157 -10.260 9.045 1.00 25.12 C ATOM 399 CD LYS A 27 14.918 -10.288 7.726 1.00 32.22 C ATOM 400 CE LYS A 27 14.032 -10.776 6.587 1.00 41.24 C ATOM 401 NZ LYS A 27 14.749 -10.813 5.296 1.00 62.54 N ATOM 0 H LYS A 27 11.087 -7.512 10.104 1.00 20.34 H new ATOM 0 HA LYS A 27 11.685 -10.408 10.232 1.00 22.14 H new ATOM 0 HB2 LYS A 27 12.445 -9.448 8.058 1.00 64.32 H new ATOM 0 HB3 LYS A 27 13.392 -8.269 8.943 1.00 64.32 H new ATOM 0 HG2 LYS A 27 14.833 -9.977 9.852 1.00 25.12 H new ATOM 0 HG3 LYS A 27 13.786 -11.259 9.275 1.00 25.12 H new ATOM 0 HD2 LYS A 27 15.291 -9.290 7.497 1.00 32.22 H new ATOM 0 HD3 LYS A 27 15.787 -10.939 7.819 1.00 32.22 H new ATOM 0 HE2 LYS A 27 13.659 -11.773 6.821 1.00 41.24 H new ATOM 0 HE3 LYS A 27 13.164 -10.123 6.499 1.00 41.24 H new ATOM 0 HZ1 LYS A 27 14.106 -11.151 4.552 1.00 62.54 H new ATOM 0 HZ2 LYS A 27 15.083 -9.858 5.057 1.00 62.54 H new ATOM 0 HZ3 LYS A 27 15.563 -11.456 5.369 1.00 62.54 H new ATOM 415 N ASN A 28 12.875 -9.972 12.342 1.00 43.51 N ATOM 416 CA ASN A 28 13.399 -9.793 13.718 1.00 63.15 C ATOM 417 C ASN A 28 12.380 -9.080 14.620 1.00 4.05 C ATOM 418 O ASN A 28 12.751 -8.434 15.604 1.00 22.52 O ATOM 419 CB ASN A 28 14.753 -9.049 13.747 1.00 54.21 C ATOM 420 CG ASN A 28 15.910 -9.879 13.229 1.00 52.25 C ATOM 421 OD1 ASN A 28 16.511 -10.655 13.968 1.00 1.44 O ATOM 422 ND2 ASN A 28 16.259 -9.687 11.966 1.00 24.33 N ATOM 0 H ASN A 28 12.686 -10.947 12.112 1.00 43.51 H new ATOM 0 HA ASN A 28 13.570 -10.796 14.109 1.00 63.15 H new ATOM 0 HB2 ASN A 28 14.672 -8.140 13.150 1.00 54.21 H new ATOM 0 HB3 ASN A 28 14.967 -8.740 14.770 1.00 54.21 H new ATOM 0 HD21 ASN A 28 17.053 -10.193 11.574 1.00 24.33 H new ATOM 0 HD22 ASN A 28 15.734 -9.033 11.385 1.00 24.33 H new ATOM 429 N GLY A 29 11.091 -9.239 14.290 1.00 0.41 N ATOM 430 CA GLY A 29 10.015 -8.612 15.051 1.00 12.02 C ATOM 431 C GLY A 29 9.778 -7.144 14.723 1.00 61.41 C ATOM 432 O GLY A 29 8.881 -6.525 15.290 1.00 43.21 O ATOM 0 H GLY A 29 10.773 -9.799 13.499 1.00 0.41 H new ATOM 0 HA2 GLY A 29 9.092 -9.164 14.873 1.00 12.02 H new ATOM 0 HA3 GLY A 29 10.240 -8.701 16.114 1.00 12.02 H new ATOM 436 N LYS A 30 10.565 -6.591 13.805 1.00 34.03 N ATOM 437 CA LYS A 30 10.442 -5.190 13.423 1.00 15.40 C ATOM 438 C LYS A 30 10.251 -5.072 11.917 1.00 13.10 C ATOM 439 O LYS A 30 10.587 -5.986 11.180 1.00 40.44 O ATOM 440 CB LYS A 30 11.685 -4.402 13.861 1.00 30.45 C ATOM 441 CG LYS A 30 12.988 -4.878 13.219 1.00 22.55 C ATOM 442 CD LYS A 30 14.150 -3.938 13.500 1.00 71.34 C ATOM 443 CE LYS A 30 13.936 -2.564 12.880 1.00 65.14 C ATOM 444 NZ LYS A 30 15.052 -1.639 13.193 1.00 52.20 N ATOM 0 H LYS A 30 11.299 -7.097 13.309 1.00 34.03 H new ATOM 0 HA LYS A 30 9.570 -4.769 13.924 1.00 15.40 H new ATOM 0 HB2 LYS A 30 11.538 -3.349 13.619 1.00 30.45 H new ATOM 0 HB3 LYS A 30 11.781 -4.470 14.945 1.00 30.45 H new ATOM 0 HG2 LYS A 30 13.231 -5.873 13.591 1.00 22.55 H new ATOM 0 HG3 LYS A 30 12.848 -4.966 12.142 1.00 22.55 H new ATOM 0 HD2 LYS A 30 14.279 -3.833 14.577 1.00 71.34 H new ATOM 0 HD3 LYS A 30 15.070 -4.372 13.109 1.00 71.34 H new ATOM 0 HE2 LYS A 30 13.839 -2.664 11.799 1.00 65.14 H new ATOM 0 HE3 LYS A 30 13.000 -2.142 13.246 1.00 65.14 H new ATOM 0 HZ1 LYS A 30 14.870 -0.714 12.754 1.00 52.20 H new ATOM 0 HZ2 LYS A 30 15.129 -1.524 14.224 1.00 52.20 H new ATOM 0 HZ3 LYS A 30 15.941 -2.030 12.821 1.00 52.20 H new ATOM 458 N ILE A 31 9.726 -3.948 11.458 1.00 3.24 N ATOM 459 CA ILE A 31 9.559 -3.729 10.026 1.00 32.30 C ATOM 460 C ILE A 31 10.915 -3.389 9.406 1.00 54.22 C ATOM 461 O ILE A 31 11.585 -2.452 9.826 1.00 43.41 O ATOM 462 CB ILE A 31 8.540 -2.598 9.716 1.00 54.01 C ATOM 463 CG1 ILE A 31 7.214 -2.846 10.455 1.00 61.44 C ATOM 464 CG2 ILE A 31 8.302 -2.490 8.210 1.00 13.32 C ATOM 465 CD1 ILE A 31 6.189 -1.737 10.292 1.00 74.12 C ATOM 0 H ILE A 31 9.410 -3.178 12.048 1.00 3.24 H new ATOM 0 HA ILE A 31 9.163 -4.648 9.593 1.00 32.30 H new ATOM 0 HB ILE A 31 8.957 -1.654 10.068 1.00 54.01 H new ATOM 0 HG12 ILE A 31 6.781 -3.780 10.096 1.00 61.44 H new ATOM 0 HG13 ILE A 31 7.423 -2.978 11.517 1.00 61.44 H new ATOM 0 HG21 ILE A 31 7.586 -1.693 8.011 1.00 13.32 H new ATOM 0 HG22 ILE A 31 9.243 -2.266 7.708 1.00 13.32 H new ATOM 0 HG23 ILE A 31 7.907 -3.434 7.835 1.00 13.32 H new ATOM 0 HD11 ILE A 31 5.285 -1.993 10.845 1.00 74.12 H new ATOM 0 HD12 ILE A 31 6.598 -0.804 10.678 1.00 74.12 H new ATOM 0 HD13 ILE A 31 5.947 -1.618 9.236 1.00 74.12 H new ATOM 477 N VAL A 32 11.340 -4.183 8.446 1.00 60.23 N ATOM 478 CA VAL A 32 12.576 -3.898 7.742 1.00 32.42 C ATOM 479 C VAL A 32 12.288 -3.310 6.365 1.00 3.12 C ATOM 480 O VAL A 32 13.048 -2.482 5.865 1.00 43.34 O ATOM 481 CB VAL A 32 13.504 -5.142 7.619 1.00 14.04 C ATOM 482 CG1 VAL A 32 14.009 -5.564 8.991 1.00 21.55 C ATOM 483 CG2 VAL A 32 12.812 -6.316 6.926 1.00 62.43 C ATOM 0 H VAL A 32 10.854 -5.024 8.136 1.00 60.23 H new ATOM 0 HA VAL A 32 13.113 -3.162 8.341 1.00 32.42 H new ATOM 0 HB VAL A 32 14.350 -4.851 6.996 1.00 14.04 H new ATOM 0 HG11 VAL A 32 14.656 -6.435 8.888 1.00 21.55 H new ATOM 0 HG12 VAL A 32 14.571 -4.745 9.440 1.00 21.55 H new ATOM 0 HG13 VAL A 32 13.162 -5.815 9.629 1.00 21.55 H new ATOM 0 HG21 VAL A 32 13.500 -7.159 6.864 1.00 62.43 H new ATOM 0 HG22 VAL A 32 11.931 -6.608 7.497 1.00 62.43 H new ATOM 0 HG23 VAL A 32 12.511 -6.019 5.921 1.00 62.43 H new ATOM 493 N SER A 33 11.154 -3.698 5.785 1.00 24.12 N ATOM 494 CA SER A 33 10.837 -3.364 4.408 1.00 51.51 C ATOM 495 C SER A 33 9.333 -3.327 4.211 1.00 43.11 C ATOM 496 O SER A 33 8.568 -3.784 5.059 1.00 44.45 O ATOM 497 CB SER A 33 11.456 -4.378 3.431 1.00 70.53 C ATOM 498 OG SER A 33 12.870 -4.280 3.395 1.00 31.53 O ATOM 0 H SER A 33 10.437 -4.249 6.257 1.00 24.12 H new ATOM 0 HA SER A 33 11.258 -2.381 4.200 1.00 51.51 H new ATOM 0 HB2 SER A 33 11.169 -5.388 3.725 1.00 70.53 H new ATOM 0 HB3 SER A 33 11.055 -4.211 2.431 1.00 70.53 H new ATOM 0 HG SER A 33 13.228 -4.940 2.765 1.00 31.53 H new ATOM 504 N VAL A 34 8.926 -2.775 3.087 1.00 71.24 N ATOM 505 CA VAL A 34 7.525 -2.700 2.724 1.00 64.54 C ATOM 506 C VAL A 34 7.395 -2.783 1.197 1.00 40.10 C ATOM 507 O VAL A 34 8.241 -2.285 0.454 1.00 40.41 O ATOM 508 CB VAL A 34 6.847 -1.426 3.335 1.00 0.34 C ATOM 509 CG1 VAL A 34 7.526 -0.158 2.874 1.00 52.43 C ATOM 510 CG2 VAL A 34 5.351 -1.365 3.047 1.00 13.54 C ATOM 0 H VAL A 34 9.557 -2.365 2.398 1.00 71.24 H new ATOM 0 HA VAL A 34 6.987 -3.547 3.149 1.00 64.54 H new ATOM 0 HB VAL A 34 6.968 -1.507 4.415 1.00 0.34 H new ATOM 0 HG11 VAL A 34 7.028 0.704 3.318 1.00 52.43 H new ATOM 0 HG12 VAL A 34 8.571 -0.172 3.183 1.00 52.43 H new ATOM 0 HG13 VAL A 34 7.469 -0.089 1.788 1.00 52.43 H new ATOM 0 HG21 VAL A 34 4.931 -0.463 3.493 1.00 13.54 H new ATOM 0 HG22 VAL A 34 5.188 -1.347 1.969 1.00 13.54 H new ATOM 0 HG23 VAL A 34 4.862 -2.241 3.473 1.00 13.54 H new ATOM 520 N ASP A 35 6.368 -3.479 0.766 1.00 52.34 N ATOM 521 CA ASP A 35 6.129 -3.789 -0.631 1.00 30.00 C ATOM 522 C ASP A 35 4.751 -3.278 -1.031 1.00 71.10 C ATOM 523 O ASP A 35 3.801 -3.364 -0.251 1.00 2.10 O ATOM 524 CB ASP A 35 6.244 -5.317 -0.807 1.00 4.44 C ATOM 525 CG ASP A 35 5.849 -5.838 -2.177 1.00 40.54 C ATOM 526 OD1 ASP A 35 6.699 -5.827 -3.082 1.00 1.44 O ATOM 527 OD2 ASP A 35 4.702 -6.310 -2.326 1.00 45.41 O ATOM 0 H ASP A 35 5.656 -3.856 1.391 1.00 52.34 H new ATOM 0 HA ASP A 35 6.861 -3.303 -1.276 1.00 30.00 H new ATOM 0 HB2 ASP A 35 7.273 -5.614 -0.605 1.00 4.44 H new ATOM 0 HB3 ASP A 35 5.619 -5.802 -0.057 1.00 4.44 H new ATOM 532 N TRP A 36 4.654 -2.703 -2.215 1.00 74.33 N ATOM 533 CA TRP A 36 3.367 -2.320 -2.760 1.00 4.54 C ATOM 534 C TRP A 36 3.076 -3.098 -4.032 1.00 54.42 C ATOM 535 O TRP A 36 3.937 -3.262 -4.900 1.00 13.54 O ATOM 536 CB TRP A 36 3.240 -0.794 -2.971 1.00 44.25 C ATOM 537 CG TRP A 36 4.481 -0.080 -3.448 1.00 52.32 C ATOM 538 CD1 TRP A 36 5.392 0.569 -2.663 1.00 3.44 C ATOM 539 CD2 TRP A 36 4.932 0.087 -4.804 1.00 22.41 C ATOM 540 NE1 TRP A 36 6.381 1.114 -3.440 1.00 62.45 N ATOM 541 CE2 TRP A 36 6.127 0.831 -4.754 1.00 2.13 C ATOM 542 CE3 TRP A 36 4.450 -0.320 -6.053 1.00 21.31 C ATOM 543 CZ2 TRP A 36 6.845 1.165 -5.899 1.00 4.14 C ATOM 544 CZ3 TRP A 36 5.163 0.013 -7.187 1.00 32.41 C ATOM 545 CH2 TRP A 36 6.348 0.750 -7.103 1.00 72.30 C ATOM 0 H TRP A 36 5.450 -2.491 -2.816 1.00 74.33 H new ATOM 0 HA TRP A 36 2.608 -2.580 -2.022 1.00 4.54 H new ATOM 0 HB2 TRP A 36 2.443 -0.613 -3.692 1.00 44.25 H new ATOM 0 HB3 TRP A 36 2.926 -0.343 -2.029 1.00 44.25 H new ATOM 0 HD1 TRP A 36 5.340 0.642 -1.587 1.00 3.44 H new ATOM 0 HE1 TRP A 36 7.179 1.646 -3.094 1.00 62.45 H new ATOM 0 HE3 TRP A 36 3.534 -0.886 -6.129 1.00 21.31 H new ATOM 0 HZ2 TRP A 36 7.762 1.732 -5.838 1.00 4.14 H new ATOM 0 HZ3 TRP A 36 4.800 -0.301 -8.154 1.00 32.41 H new ATOM 0 HH2 TRP A 36 6.882 0.997 -8.009 1.00 72.30 H new ATOM 556 N ASN A 37 1.859 -3.604 -4.100 1.00 2.42 N ATOM 557 CA ASN A 37 1.400 -4.433 -5.206 1.00 62.30 C ATOM 558 C ASN A 37 -0.111 -4.227 -5.326 1.00 24.11 C ATOM 559 O ASN A 37 -0.689 -3.620 -4.428 1.00 64.53 O ATOM 560 CB ASN A 37 1.763 -5.902 -4.904 1.00 5.04 C ATOM 561 CG ASN A 37 1.938 -6.753 -6.146 1.00 61.15 C ATOM 562 OD1 ASN A 37 2.185 -6.240 -7.232 1.00 64.51 O ATOM 563 ND2 ASN A 37 1.854 -8.061 -5.981 1.00 55.11 N ATOM 0 H ASN A 37 1.151 -3.451 -3.382 1.00 2.42 H new ATOM 0 HA ASN A 37 1.872 -4.165 -6.151 1.00 62.30 H new ATOM 0 HB2 ASN A 37 2.685 -5.927 -4.324 1.00 5.04 H new ATOM 0 HB3 ASN A 37 0.983 -6.339 -4.281 1.00 5.04 H new ATOM 0 HD21 ASN A 37 1.997 -8.685 -6.775 1.00 55.11 H new ATOM 0 HD22 ASN A 37 1.646 -8.447 -5.060 1.00 55.11 H new ATOM 570 N ALA A 38 -0.753 -4.674 -6.413 1.00 34.52 N ATOM 571 CA ALA A 38 -2.205 -4.488 -6.576 1.00 24.34 C ATOM 572 C ALA A 38 -2.782 -5.409 -7.631 1.00 72.24 C ATOM 573 O ALA A 38 -2.161 -5.650 -8.642 1.00 10.32 O ATOM 574 CB ALA A 38 -2.533 -3.052 -6.946 1.00 25.34 C ATOM 0 H ALA A 38 -0.299 -5.161 -7.185 1.00 34.52 H new ATOM 0 HA ALA A 38 -2.656 -4.733 -5.614 1.00 24.34 H new ATOM 0 HB1 ALA A 38 -3.612 -2.943 -7.060 1.00 25.34 H new ATOM 0 HB2 ALA A 38 -2.182 -2.384 -6.159 1.00 25.34 H new ATOM 0 HB3 ALA A 38 -2.041 -2.797 -7.885 1.00 25.34 H new ATOM 580 N ILE A 39 -4.008 -5.854 -7.430 1.00 61.12 N ATOM 581 CA ILE A 39 -4.638 -6.792 -8.351 1.00 52.54 C ATOM 582 C ILE A 39 -5.539 -6.014 -9.307 1.00 23.31 C ATOM 583 O ILE A 39 -6.312 -5.169 -8.880 1.00 63.00 O ATOM 584 CB ILE A 39 -5.471 -7.866 -7.592 1.00 43.32 C ATOM 585 CG1 ILE A 39 -4.685 -8.398 -6.374 1.00 51.43 C ATOM 586 CG2 ILE A 39 -5.837 -9.014 -8.538 1.00 71.23 C ATOM 587 CD1 ILE A 39 -5.468 -9.337 -5.475 1.00 21.35 C ATOM 0 H ILE A 39 -4.591 -5.583 -6.638 1.00 61.12 H new ATOM 0 HA ILE A 39 -3.858 -7.313 -8.906 1.00 52.54 H new ATOM 0 HB ILE A 39 -6.390 -7.405 -7.231 1.00 43.32 H new ATOM 0 HG12 ILE A 39 -3.795 -8.917 -6.731 1.00 51.43 H new ATOM 0 HG13 ILE A 39 -4.343 -7.550 -5.781 1.00 51.43 H new ATOM 0 HG21 ILE A 39 -6.420 -9.760 -7.997 1.00 71.23 H new ATOM 0 HG22 ILE A 39 -6.426 -8.627 -9.369 1.00 71.23 H new ATOM 0 HG23 ILE A 39 -4.926 -9.474 -8.922 1.00 71.23 H new ATOM 0 HD11 ILE A 39 -4.836 -9.659 -4.647 1.00 21.35 H new ATOM 0 HD12 ILE A 39 -6.344 -8.820 -5.083 1.00 21.35 H new ATOM 0 HD13 ILE A 39 -5.787 -10.207 -6.048 1.00 21.35 H new ATOM 599 N ASN A 40 -5.408 -6.281 -10.600 1.00 73.15 N ATOM 600 CA ASN A 40 -6.119 -5.517 -11.627 1.00 54.40 C ATOM 601 C ASN A 40 -7.603 -5.899 -11.694 1.00 2.34 C ATOM 602 O ASN A 40 -7.957 -7.074 -11.548 1.00 42.33 O ATOM 603 CB ASN A 40 -5.462 -5.725 -12.992 1.00 73.11 C ATOM 604 CG ASN A 40 -5.811 -4.626 -13.977 1.00 14.44 C ATOM 605 OD1 ASN A 40 -6.781 -4.703 -14.704 1.00 64.13 O ATOM 606 ND2 ASN A 40 -5.024 -3.584 -13.991 1.00 62.32 N ATOM 0 H ASN A 40 -4.814 -7.024 -10.968 1.00 73.15 H new ATOM 0 HA ASN A 40 -6.058 -4.463 -11.354 1.00 54.40 H new ATOM 0 HB2 ASN A 40 -4.380 -5.768 -12.868 1.00 73.11 H new ATOM 0 HB3 ASN A 40 -5.774 -6.687 -13.399 1.00 73.11 H new ATOM 0 HD21 ASN A 40 -5.217 -2.808 -14.624 1.00 62.32 H new ATOM 0 HD22 ASN A 40 -4.216 -3.547 -13.369 1.00 62.32 H new ATOM 613 N LYS A 41 -8.456 -4.879 -11.913 1.00 44.40 N ATOM 614 CA LYS A 41 -9.922 -5.034 -11.990 1.00 33.11 C ATOM 615 C LYS A 41 -10.358 -5.891 -13.192 1.00 32.14 C ATOM 616 O LYS A 41 -11.442 -6.482 -13.174 1.00 12.21 O ATOM 617 CB LYS A 41 -10.583 -3.646 -12.053 1.00 11.52 C ATOM 618 CG LYS A 41 -12.094 -3.669 -11.867 1.00 11.45 C ATOM 619 CD LYS A 41 -12.688 -2.275 -11.831 1.00 74.44 C ATOM 620 CE LYS A 41 -14.188 -2.335 -11.619 1.00 15.34 C ATOM 621 NZ LYS A 41 -14.806 -0.986 -11.592 1.00 3.40 N ATOM 0 H LYS A 41 -8.144 -3.916 -12.042 1.00 44.40 H new ATOM 0 HA LYS A 41 -10.249 -5.559 -11.092 1.00 33.11 H new ATOM 0 HB2 LYS A 41 -10.143 -3.010 -11.285 1.00 11.52 H new ATOM 0 HB3 LYS A 41 -10.353 -3.189 -13.015 1.00 11.52 H new ATOM 0 HG2 LYS A 41 -12.550 -4.235 -12.679 1.00 11.45 H new ATOM 0 HG3 LYS A 41 -12.336 -4.189 -10.940 1.00 11.45 H new ATOM 0 HD2 LYS A 41 -12.226 -1.698 -11.030 1.00 74.44 H new ATOM 0 HD3 LYS A 41 -12.468 -1.757 -12.765 1.00 74.44 H new ATOM 0 HE2 LYS A 41 -14.642 -2.925 -12.415 1.00 15.34 H new ATOM 0 HE3 LYS A 41 -14.400 -2.849 -10.681 1.00 15.34 H new ATOM 0 HZ1 LYS A 41 -15.832 -1.077 -11.445 1.00 3.40 H new ATOM 0 HZ2 LYS A 41 -14.393 -0.430 -10.816 1.00 3.40 H new ATOM 0 HZ3 LYS A 41 -14.627 -0.504 -12.496 1.00 3.40 H new ATOM 635 N ASP A 42 -9.490 -5.970 -14.216 1.00 20.14 N ATOM 636 CA ASP A 42 -9.686 -6.842 -15.386 1.00 4.31 C ATOM 637 C ASP A 42 -9.872 -8.301 -14.969 1.00 31.31 C ATOM 638 O ASP A 42 -10.716 -8.999 -15.523 1.00 11.41 O ATOM 639 CB ASP A 42 -8.476 -6.710 -16.335 1.00 70.01 C ATOM 640 CG ASP A 42 -8.554 -7.569 -17.587 1.00 14.43 C ATOM 641 OD1 ASP A 42 -8.074 -8.719 -17.558 1.00 63.35 O ATOM 642 OD2 ASP A 42 -9.073 -7.086 -18.610 1.00 61.43 O ATOM 0 H ASP A 42 -8.628 -5.427 -14.255 1.00 20.14 H new ATOM 0 HA ASP A 42 -10.593 -6.527 -15.902 1.00 4.31 H new ATOM 0 HB2 ASP A 42 -8.377 -5.666 -16.633 1.00 70.01 H new ATOM 0 HB3 ASP A 42 -7.571 -6.972 -15.787 1.00 70.01 H new ATOM 647 N GLY A 43 -9.113 -8.731 -13.962 1.00 34.51 N ATOM 648 CA GLY A 43 -9.175 -10.102 -13.512 1.00 24.22 C ATOM 649 C GLY A 43 -8.112 -10.951 -14.161 1.00 2.22 C ATOM 650 O GLY A 43 -8.299 -12.153 -14.337 1.00 41.02 O ATOM 0 H GLY A 43 -8.453 -8.145 -13.450 1.00 34.51 H new ATOM 0 HA2 GLY A 43 -9.056 -10.135 -12.429 1.00 24.22 H new ATOM 0 HA3 GLY A 43 -10.158 -10.515 -13.738 1.00 24.22 H new ATOM 654 N GLY A 44 -7.011 -10.306 -14.538 1.00 12.22 N ATOM 655 CA GLY A 44 -5.879 -11.012 -15.100 1.00 31.23 C ATOM 656 C GLY A 44 -4.871 -11.375 -14.040 1.00 74.14 C ATOM 657 O GLY A 44 -5.077 -12.319 -13.274 1.00 70.32 O ATOM 0 H GLY A 44 -6.885 -9.297 -14.462 1.00 12.22 H new ATOM 0 HA2 GLY A 44 -6.225 -11.917 -15.599 1.00 31.23 H new ATOM 0 HA3 GLY A 44 -5.403 -10.392 -15.859 1.00 31.23 H new ATOM 661 N ASP A 45 -3.786 -10.619 -13.984 1.00 72.24 N ATOM 662 CA ASP A 45 -2.719 -10.879 -13.024 1.00 23.31 C ATOM 663 C ASP A 45 -2.539 -9.716 -12.052 1.00 41.42 C ATOM 664 O ASP A 45 -3.314 -8.750 -12.059 1.00 32.43 O ATOM 665 CB ASP A 45 -1.399 -11.173 -13.757 1.00 22.23 C ATOM 666 CG ASP A 45 -1.394 -12.528 -14.430 1.00 70.03 C ATOM 667 OD1 ASP A 45 -1.268 -13.544 -13.720 1.00 1.13 O ATOM 668 OD2 ASP A 45 -1.515 -12.578 -15.669 1.00 12.14 O ATOM 0 H ASP A 45 -3.619 -9.818 -14.593 1.00 72.24 H new ATOM 0 HA ASP A 45 -3.005 -11.755 -12.442 1.00 23.31 H new ATOM 0 HB2 ASP A 45 -1.224 -10.400 -14.505 1.00 22.23 H new ATOM 0 HB3 ASP A 45 -0.574 -11.122 -13.046 1.00 22.23 H new ATOM 673 N ASP A 46 -1.507 -9.831 -11.221 1.00 12.35 N ATOM 674 CA ASP A 46 -1.172 -8.820 -10.218 1.00 43.43 C ATOM 675 C ASP A 46 -0.268 -7.751 -10.840 1.00 22.45 C ATOM 676 O ASP A 46 0.206 -7.935 -11.944 1.00 11.44 O ATOM 677 CB ASP A 46 -0.459 -9.486 -9.039 1.00 4.12 C ATOM 678 CG ASP A 46 -1.066 -9.118 -7.705 1.00 12.54 C ATOM 679 OD1 ASP A 46 -0.892 -7.970 -7.273 1.00 23.23 O ATOM 680 OD2 ASP A 46 -1.695 -9.994 -7.074 1.00 20.50 O ATOM 0 H ASP A 46 -0.875 -10.632 -11.223 1.00 12.35 H new ATOM 0 HA ASP A 46 -2.087 -8.346 -9.863 1.00 43.43 H new ATOM 0 HB2 ASP A 46 -0.494 -10.568 -9.163 1.00 4.12 H new ATOM 0 HB3 ASP A 46 0.592 -9.199 -9.047 1.00 4.12 H new ATOM 685 N LYS A 47 -0.020 -6.661 -10.111 1.00 40.23 N ATOM 686 CA LYS A 47 0.781 -5.517 -10.597 1.00 12.43 C ATOM 687 C LYS A 47 2.225 -5.925 -10.891 1.00 21.52 C ATOM 688 O LYS A 47 2.818 -5.454 -11.862 1.00 43.14 O ATOM 689 CB LYS A 47 0.729 -4.383 -9.560 1.00 60.05 C ATOM 690 CG LYS A 47 1.527 -3.127 -9.907 1.00 15.54 C ATOM 691 CD LYS A 47 1.263 -2.008 -8.905 1.00 42.34 C ATOM 692 CE LYS A 47 -0.111 -1.391 -9.116 1.00 4.13 C ATOM 693 NZ LYS A 47 -0.476 -0.419 -8.050 1.00 14.23 N ATOM 0 H LYS A 47 -0.368 -6.539 -9.160 1.00 40.23 H new ATOM 0 HA LYS A 47 0.354 -5.166 -11.536 1.00 12.43 H new ATOM 0 HB2 LYS A 47 -0.313 -4.099 -9.412 1.00 60.05 H new ATOM 0 HB3 LYS A 47 1.092 -4.770 -8.608 1.00 60.05 H new ATOM 0 HG2 LYS A 47 2.591 -3.362 -9.921 1.00 15.54 H new ATOM 0 HG3 LYS A 47 1.262 -2.791 -10.909 1.00 15.54 H new ATOM 0 HD2 LYS A 47 1.336 -2.400 -7.891 1.00 42.34 H new ATOM 0 HD3 LYS A 47 2.029 -1.239 -9.005 1.00 42.34 H new ATOM 0 HE2 LYS A 47 -0.134 -0.889 -10.083 1.00 4.13 H new ATOM 0 HE3 LYS A 47 -0.859 -2.183 -9.151 1.00 4.13 H new ATOM 0 HZ1 LYS A 47 -1.500 -0.463 -7.876 1.00 14.23 H new ATOM 0 HZ2 LYS A 47 0.034 -0.656 -7.175 1.00 14.23 H new ATOM 0 HZ3 LYS A 47 -0.217 0.542 -8.353 1.00 14.23 H new ATOM 707 N ASP A 48 2.750 -6.814 -10.048 1.00 31.42 N ATOM 708 CA ASP A 48 4.058 -7.438 -10.240 1.00 14.11 C ATOM 709 C ASP A 48 4.111 -8.202 -11.563 1.00 43.22 C ATOM 710 O ASP A 48 4.953 -7.915 -12.403 1.00 55.30 O ATOM 711 CB ASP A 48 4.346 -8.374 -9.047 1.00 62.45 C ATOM 712 CG ASP A 48 5.555 -9.273 -9.247 1.00 41.32 C ATOM 713 OD1 ASP A 48 6.692 -8.796 -9.082 1.00 40.42 O ATOM 714 OD2 ASP A 48 5.366 -10.459 -9.580 1.00 3.21 O ATOM 0 H ASP A 48 2.272 -7.125 -9.202 1.00 31.42 H new ATOM 0 HA ASP A 48 4.825 -6.665 -10.284 1.00 14.11 H new ATOM 0 HB2 ASP A 48 4.499 -7.770 -8.153 1.00 62.45 H new ATOM 0 HB3 ASP A 48 3.469 -8.996 -8.866 1.00 62.45 H new ATOM 719 N THR A 49 3.159 -9.117 -11.753 1.00 64.11 N ATOM 720 CA THR A 49 3.133 -10.018 -12.905 1.00 51.21 C ATOM 721 C THR A 49 2.804 -9.270 -14.212 1.00 3.44 C ATOM 722 O THR A 49 3.306 -9.622 -15.277 1.00 42.50 O ATOM 723 CB THR A 49 2.103 -11.143 -12.666 1.00 60.23 C ATOM 724 OG1 THR A 49 2.155 -11.558 -11.295 1.00 32.02 O ATOM 725 CG2 THR A 49 2.378 -12.349 -13.551 1.00 12.44 C ATOM 0 H THR A 49 2.381 -9.254 -11.108 1.00 64.11 H new ATOM 0 HA THR A 49 4.129 -10.448 -13.014 1.00 51.21 H new ATOM 0 HB THR A 49 1.117 -10.748 -12.911 1.00 60.23 H new ATOM 0 HG1 THR A 49 1.500 -12.271 -11.144 1.00 32.02 H new ATOM 0 HG21 THR A 49 1.634 -13.121 -13.356 1.00 12.44 H new ATOM 0 HG22 THR A 49 2.326 -12.051 -14.598 1.00 12.44 H new ATOM 0 HG23 THR A 49 3.372 -12.740 -13.334 1.00 12.44 H new ATOM 733 N LEU A 50 1.977 -8.227 -14.113 1.00 63.14 N ATOM 734 CA LEU A 50 1.633 -7.385 -15.258 1.00 75.44 C ATOM 735 C LEU A 50 2.818 -6.533 -15.701 1.00 24.42 C ATOM 736 O LEU A 50 3.002 -6.318 -16.880 1.00 2.43 O ATOM 737 CB LEU A 50 0.429 -6.483 -14.949 1.00 1.22 C ATOM 738 CG LEU A 50 -0.920 -7.196 -14.793 1.00 60.51 C ATOM 739 CD1 LEU A 50 -2.008 -6.190 -14.471 1.00 43.25 C ATOM 740 CD2 LEU A 50 -1.279 -7.974 -16.053 1.00 70.54 C ATOM 0 H LEU A 50 1.530 -7.944 -13.241 1.00 63.14 H new ATOM 0 HA LEU A 50 1.365 -8.056 -16.074 1.00 75.44 H new ATOM 0 HB2 LEU A 50 0.637 -5.935 -14.030 1.00 1.22 H new ATOM 0 HB3 LEU A 50 0.338 -5.745 -15.746 1.00 1.22 H new ATOM 0 HG LEU A 50 -0.835 -7.906 -13.970 1.00 60.51 H new ATOM 0 HD11 LEU A 50 -2.961 -6.707 -14.362 1.00 43.25 H new ATOM 0 HD12 LEU A 50 -1.765 -5.677 -13.540 1.00 43.25 H new ATOM 0 HD13 LEU A 50 -2.080 -5.461 -15.279 1.00 43.25 H new ATOM 0 HD21 LEU A 50 -2.240 -8.469 -15.913 1.00 70.54 H new ATOM 0 HD22 LEU A 50 -1.343 -7.288 -16.898 1.00 70.54 H new ATOM 0 HD23 LEU A 50 -0.511 -8.722 -16.250 1.00 70.54 H new ATOM 752 N SER A 51 3.634 -6.077 -14.753 1.00 44.11 N ATOM 753 CA SER A 51 4.832 -5.304 -15.074 1.00 2.41 C ATOM 754 C SER A 51 5.915 -6.214 -15.690 1.00 42.11 C ATOM 755 O SER A 51 6.720 -5.768 -16.508 1.00 4.43 O ATOM 756 CB SER A 51 5.357 -4.595 -13.820 1.00 44.24 C ATOM 757 OG SER A 51 6.328 -3.618 -14.149 1.00 70.43 O ATOM 0 H SER A 51 3.487 -6.230 -13.755 1.00 44.11 H new ATOM 0 HA SER A 51 4.572 -4.545 -15.812 1.00 2.41 H new ATOM 0 HB2 SER A 51 4.528 -4.123 -13.292 1.00 44.24 H new ATOM 0 HB3 SER A 51 5.792 -5.328 -13.140 1.00 44.24 H new ATOM 0 HG SER A 51 6.643 -3.182 -13.330 1.00 70.43 H new ATOM 763 N ARG A 52 5.900 -7.498 -15.303 1.00 75.41 N ATOM 764 CA ARG A 52 6.826 -8.497 -15.841 1.00 41.54 C ATOM 765 C ARG A 52 6.490 -8.853 -17.295 1.00 3.42 C ATOM 766 O ARG A 52 7.384 -8.957 -18.133 1.00 73.30 O ATOM 767 CB ARG A 52 6.790 -9.776 -14.995 1.00 23.34 C ATOM 768 CG ARG A 52 7.303 -9.629 -13.567 1.00 11.34 C ATOM 769 CD ARG A 52 8.793 -9.341 -13.503 1.00 12.04 C ATOM 770 NE ARG A 52 9.598 -10.420 -14.090 1.00 74.21 N ATOM 771 CZ ARG A 52 10.510 -11.140 -13.423 1.00 63.25 C ATOM 772 NH1 ARG A 52 10.713 -10.952 -12.122 1.00 64.33 N ATOM 773 NH2 ARG A 52 11.214 -12.060 -14.063 1.00 42.51 N ATOM 0 H ARG A 52 5.248 -7.869 -14.612 1.00 75.41 H new ATOM 0 HA ARG A 52 7.824 -8.059 -15.808 1.00 41.54 H new ATOM 0 HB2 ARG A 52 5.763 -10.139 -14.959 1.00 23.34 H new ATOM 0 HB3 ARG A 52 7.381 -10.541 -15.498 1.00 23.34 H new ATOM 0 HG2 ARG A 52 6.760 -8.824 -13.072 1.00 11.34 H new ATOM 0 HG3 ARG A 52 7.090 -10.544 -13.014 1.00 11.34 H new ATOM 0 HD2 ARG A 52 9.003 -8.409 -14.027 1.00 12.04 H new ATOM 0 HD3 ARG A 52 9.088 -9.196 -12.464 1.00 12.04 H new ATOM 0 HE ARG A 52 9.452 -10.637 -15.076 1.00 74.21 H new ATOM 0 HH11 ARG A 52 10.170 -10.251 -11.617 1.00 64.33 H new ATOM 0 HH12 ARG A 52 11.411 -11.509 -11.629 1.00 64.33 H new ATOM 0 HH21 ARG A 52 11.061 -12.218 -15.059 1.00 42.51 H new ATOM 0 HH22 ARG A 52 11.910 -12.611 -13.560 1.00 42.51 H new ATOM 787 N ASN A 53 5.197 -9.020 -17.589 1.00 61.44 N ATOM 788 CA ASN A 53 4.747 -9.473 -18.912 1.00 4.30 C ATOM 789 C ASN A 53 4.504 -8.317 -19.891 1.00 52.11 C ATOM 790 O ASN A 53 4.424 -8.535 -21.101 1.00 14.52 O ATOM 791 CB ASN A 53 3.479 -10.328 -18.795 1.00 33.11 C ATOM 792 CG ASN A 53 3.769 -11.747 -18.340 1.00 60.20 C ATOM 793 OD1 ASN A 53 4.044 -12.618 -19.155 1.00 44.40 O ATOM 794 ND2 ASN A 53 3.697 -11.994 -17.043 1.00 65.02 N ATOM 0 H ASN A 53 4.440 -8.848 -16.927 1.00 61.44 H new ATOM 0 HA ASN A 53 5.559 -10.077 -19.317 1.00 4.30 H new ATOM 0 HB2 ASN A 53 2.793 -9.858 -18.091 1.00 33.11 H new ATOM 0 HB3 ASN A 53 2.975 -10.356 -19.761 1.00 33.11 H new ATOM 0 HD21 ASN A 53 3.873 -12.936 -16.693 1.00 65.02 H new ATOM 0 HD22 ASN A 53 3.465 -11.243 -16.393 1.00 65.02 H new ATOM 801 N GLY A 54 4.397 -7.101 -19.369 1.00 0.42 N ATOM 802 CA GLY A 54 4.151 -5.939 -20.208 1.00 21.24 C ATOM 803 C GLY A 54 2.670 -5.715 -20.456 1.00 45.14 C ATOM 804 O GLY A 54 2.232 -5.628 -21.605 1.00 13.33 O ATOM 0 H GLY A 54 4.477 -6.896 -18.373 1.00 0.42 H new ATOM 0 HA2 GLY A 54 4.576 -5.054 -19.734 1.00 21.24 H new ATOM 0 HA3 GLY A 54 4.662 -6.067 -21.162 1.00 21.24 H new ATOM 808 N GLY A 55 1.903 -5.638 -19.376 1.00 3.22 N ATOM 809 CA GLY A 55 0.471 -5.447 -19.461 1.00 11.22 C ATOM 810 C GLY A 55 -0.087 -4.692 -18.273 1.00 35.43 C ATOM 811 O GLY A 55 -1.205 -4.968 -17.837 1.00 50.13 O ATOM 0 H GLY A 55 2.259 -5.706 -18.423 1.00 3.22 H new ATOM 0 HA2 GLY A 55 0.234 -4.904 -20.376 1.00 11.22 H new ATOM 0 HA3 GLY A 55 -0.018 -6.419 -19.532 1.00 11.22 H new ATOM 815 N TYR A 56 0.702 -3.761 -17.731 1.00 43.35 N ATOM 816 CA TYR A 56 0.225 -2.840 -16.695 1.00 61.42 C ATOM 817 C TYR A 56 -0.746 -1.826 -17.326 1.00 21.35 C ATOM 818 O TYR A 56 -0.342 -0.931 -18.073 1.00 53.03 O ATOM 819 CB TYR A 56 1.434 -2.165 -15.986 1.00 54.43 C ATOM 820 CG TYR A 56 1.147 -0.821 -15.325 1.00 11.53 C ATOM 821 CD1 TYR A 56 0.366 -0.730 -14.188 1.00 11.53 C ATOM 822 CD2 TYR A 56 1.625 0.363 -15.883 1.00 11.14 C ATOM 823 CE1 TYR A 56 0.074 0.493 -13.621 1.00 42.14 C ATOM 824 CE2 TYR A 56 1.329 1.588 -15.327 1.00 43.24 C ATOM 825 CZ TYR A 56 0.552 1.647 -14.196 1.00 31.42 C ATOM 826 OH TYR A 56 0.239 2.867 -13.645 1.00 71.23 O ATOM 0 H TYR A 56 1.678 -3.624 -17.993 1.00 43.35 H new ATOM 0 HA TYR A 56 -0.325 -3.381 -15.925 1.00 61.42 H new ATOM 0 HB2 TYR A 56 1.814 -2.849 -15.227 1.00 54.43 H new ATOM 0 HB3 TYR A 56 2.230 -2.027 -16.718 1.00 54.43 H new ATOM 0 HD1 TYR A 56 -0.022 -1.631 -13.736 1.00 11.53 H new ATOM 0 HD2 TYR A 56 2.240 0.319 -16.770 1.00 11.14 H new ATOM 0 HE1 TYR A 56 -0.529 0.544 -12.727 1.00 42.14 H new ATOM 0 HE2 TYR A 56 1.705 2.495 -15.777 1.00 43.24 H new ATOM 0 HH TYR A 56 0.314 2.814 -12.669 1.00 71.23 H new ATOM 836 N LYS A 57 -2.039 -2.045 -17.103 1.00 33.30 N ATOM 837 CA LYS A 57 -3.066 -1.165 -17.648 1.00 64.34 C ATOM 838 C LYS A 57 -3.955 -0.627 -16.533 1.00 32.24 C ATOM 839 O LYS A 57 -4.579 -1.398 -15.812 1.00 5.11 O ATOM 840 CB LYS A 57 -3.957 -1.924 -18.652 1.00 3.44 C ATOM 841 CG LYS A 57 -3.224 -2.757 -19.701 1.00 71.33 C ATOM 842 CD LYS A 57 -2.443 -1.912 -20.695 1.00 52.35 C ATOM 843 CE LYS A 57 -1.692 -2.799 -21.672 1.00 64.22 C ATOM 844 NZ LYS A 57 -0.887 -2.010 -22.636 1.00 24.21 N ATOM 0 H LYS A 57 -2.399 -2.823 -16.550 1.00 33.30 H new ATOM 0 HA LYS A 57 -2.560 -0.342 -18.152 1.00 64.34 H new ATOM 0 HB2 LYS A 57 -4.621 -2.583 -18.092 1.00 3.44 H new ATOM 0 HB3 LYS A 57 -4.588 -1.200 -19.168 1.00 3.44 H new ATOM 0 HG2 LYS A 57 -2.540 -3.442 -19.199 1.00 71.33 H new ATOM 0 HG3 LYS A 57 -3.947 -3.368 -20.242 1.00 71.33 H new ATOM 0 HD2 LYS A 57 -3.124 -1.257 -21.239 1.00 52.35 H new ATOM 0 HD3 LYS A 57 -1.740 -1.270 -20.163 1.00 52.35 H new ATOM 0 HE2 LYS A 57 -1.037 -3.473 -21.120 1.00 64.22 H new ATOM 0 HE3 LYS A 57 -2.403 -3.420 -22.217 1.00 64.22 H new ATOM 0 HZ1 LYS A 57 -0.391 -2.655 -23.284 1.00 24.21 H new ATOM 0 HZ2 LYS A 57 -1.514 -1.385 -23.182 1.00 24.21 H new ATOM 0 HZ3 LYS A 57 -0.191 -1.436 -22.119 1.00 24.21 H new ATOM 858 N MET A 58 -4.011 0.691 -16.389 1.00 2.33 N ATOM 859 CA MET A 58 -5.015 1.319 -15.527 1.00 0.12 C ATOM 860 C MET A 58 -6.322 1.440 -16.302 1.00 24.54 C ATOM 861 O MET A 58 -6.309 1.490 -17.529 1.00 34.33 O ATOM 862 CB MET A 58 -4.582 2.720 -15.080 1.00 23.30 C ATOM 863 CG MET A 58 -3.345 2.772 -14.197 1.00 20.21 C ATOM 864 SD MET A 58 -2.905 4.463 -13.733 1.00 71.03 S ATOM 865 CE MET A 58 -2.522 5.159 -15.337 1.00 25.12 C ATOM 0 H MET A 58 -3.380 1.345 -16.852 1.00 2.33 H new ATOM 0 HA MET A 58 -5.137 0.697 -14.640 1.00 0.12 H new ATOM 0 HB2 MET A 58 -4.399 3.325 -15.968 1.00 23.30 H new ATOM 0 HB3 MET A 58 -5.410 3.183 -14.543 1.00 23.30 H new ATOM 0 HG2 MET A 58 -3.519 2.184 -13.296 1.00 20.21 H new ATOM 0 HG3 MET A 58 -2.507 2.312 -14.721 1.00 20.21 H new ATOM 0 HE1 MET A 58 -1.661 5.822 -15.250 1.00 25.12 H new ATOM 0 HE2 MET A 58 -2.292 4.356 -16.037 1.00 25.12 H new ATOM 0 HE3 MET A 58 -3.380 5.724 -15.703 1.00 25.12 H new ATOM 875 N VAL A 59 -7.446 1.491 -15.601 1.00 42.01 N ATOM 876 CA VAL A 59 -8.729 1.716 -16.264 1.00 35.32 C ATOM 877 C VAL A 59 -8.962 3.225 -16.463 1.00 53.42 C ATOM 878 O VAL A 59 -9.767 3.636 -17.303 1.00 61.31 O ATOM 879 CB VAL A 59 -9.935 1.040 -15.524 1.00 61.53 C ATOM 880 CG1 VAL A 59 -9.595 -0.388 -15.103 1.00 32.50 C ATOM 881 CG2 VAL A 59 -10.440 1.843 -14.326 1.00 71.03 C ATOM 0 H VAL A 59 -7.500 1.382 -14.588 1.00 42.01 H new ATOM 0 HA VAL A 59 -8.677 1.232 -17.239 1.00 35.32 H new ATOM 0 HB VAL A 59 -10.749 1.014 -16.248 1.00 61.53 H new ATOM 0 HG11 VAL A 59 -10.451 -0.830 -14.593 1.00 32.50 H new ATOM 0 HG12 VAL A 59 -9.353 -0.980 -15.986 1.00 32.50 H new ATOM 0 HG13 VAL A 59 -8.738 -0.375 -14.430 1.00 32.50 H new ATOM 0 HG21 VAL A 59 -11.274 1.318 -13.861 1.00 71.03 H new ATOM 0 HG22 VAL A 59 -9.635 1.959 -13.600 1.00 71.03 H new ATOM 0 HG23 VAL A 59 -10.771 2.826 -14.661 1.00 71.03 H new ATOM 891 N GLU A 60 -8.238 4.037 -15.681 1.00 24.23 N ATOM 892 CA GLU A 60 -8.257 5.483 -15.828 1.00 13.51 C ATOM 893 C GLU A 60 -6.875 5.984 -16.178 1.00 64.00 C ATOM 894 O GLU A 60 -5.922 5.765 -15.424 1.00 3.25 O ATOM 895 CB GLU A 60 -8.689 6.190 -14.547 1.00 12.23 C ATOM 896 CG GLU A 60 -10.029 5.763 -14.002 1.00 72.14 C ATOM 897 CD GLU A 60 -10.510 6.692 -12.915 1.00 13.20 C ATOM 898 OE1 GLU A 60 -9.776 6.891 -11.926 1.00 13.03 O ATOM 899 OE2 GLU A 60 -11.623 7.230 -13.055 1.00 65.40 O ATOM 0 H GLU A 60 -7.628 3.704 -14.935 1.00 24.23 H new ATOM 0 HA GLU A 60 -8.975 5.705 -16.618 1.00 13.51 H new ATOM 0 HB2 GLU A 60 -7.932 6.018 -13.782 1.00 12.23 H new ATOM 0 HB3 GLU A 60 -8.715 7.264 -14.734 1.00 12.23 H new ATOM 0 HG2 GLU A 60 -10.760 5.739 -14.810 1.00 72.14 H new ATOM 0 HG3 GLU A 60 -9.956 4.749 -13.608 1.00 72.14 H new ATOM 978 N GLU A 67 -3.548 4.260 -7.494 1.00 73.04 N ATOM 979 CA GLU A 67 -2.838 3.020 -7.239 1.00 13.41 C ATOM 980 C GLU A 67 -1.474 3.354 -6.636 1.00 23.20 C ATOM 981 O GLU A 67 -1.100 4.532 -6.541 1.00 11.22 O ATOM 982 CB GLU A 67 -2.630 2.223 -8.539 1.00 73.31 C ATOM 983 CG GLU A 67 -2.021 3.034 -9.679 1.00 73.41 C ATOM 984 CD GLU A 67 -0.977 2.269 -10.451 1.00 23.14 C ATOM 985 OE1 GLU A 67 -1.216 1.108 -10.791 1.00 42.13 O ATOM 986 OE2 GLU A 67 0.092 2.828 -10.717 1.00 3.51 O ATOM 0 HA GLU A 67 -3.428 2.412 -6.553 1.00 13.41 H new ATOM 0 HB2 GLU A 67 -1.985 1.370 -8.330 1.00 73.31 H new ATOM 0 HB3 GLU A 67 -3.590 1.824 -8.865 1.00 73.31 H new ATOM 0 HG2 GLU A 67 -2.813 3.346 -10.360 1.00 73.41 H new ATOM 0 HG3 GLU A 67 -1.573 3.942 -9.274 1.00 73.41 H new ATOM 993 N TRP A 68 -0.730 2.331 -6.239 1.00 20.05 N ATOM 994 CA TRP A 68 0.627 2.528 -5.748 1.00 4.50 C ATOM 995 C TRP A 68 1.647 2.428 -6.876 1.00 45.21 C ATOM 996 O TRP A 68 1.870 1.353 -7.440 1.00 51.44 O ATOM 997 CB TRP A 68 0.952 1.536 -4.620 1.00 70.44 C ATOM 998 CG TRP A 68 0.016 1.651 -3.454 1.00 54.31 C ATOM 999 CD1 TRP A 68 -0.613 0.628 -2.816 1.00 15.02 C ATOM 1000 CD2 TRP A 68 -0.415 2.858 -2.805 1.00 61.33 C ATOM 1001 NE1 TRP A 68 -1.439 1.122 -1.839 1.00 33.20 N ATOM 1002 CE2 TRP A 68 -1.326 2.485 -1.809 1.00 73.11 C ATOM 1003 CE3 TRP A 68 -0.121 4.217 -2.971 1.00 43.15 C ATOM 1004 CZ2 TRP A 68 -1.956 3.416 -1.003 1.00 63.30 C ATOM 1005 CZ3 TRP A 68 -0.742 5.136 -2.159 1.00 2.32 C ATOM 1006 CH2 TRP A 68 -1.647 4.734 -1.184 1.00 75.21 C ATOM 0 H TRP A 68 -1.041 1.360 -6.247 1.00 20.05 H new ATOM 0 HA TRP A 68 0.688 3.536 -5.339 1.00 4.50 H new ATOM 0 HB2 TRP A 68 0.911 0.520 -5.013 1.00 70.44 H new ATOM 0 HB3 TRP A 68 1.973 1.705 -4.278 1.00 70.44 H new ATOM 0 HD1 TRP A 68 -0.481 -0.419 -3.045 1.00 15.02 H new ATOM 0 HE1 TRP A 68 -2.040 0.564 -1.233 1.00 33.20 H new ATOM 0 HE3 TRP A 68 0.582 4.538 -3.725 1.00 43.15 H new ATOM 0 HZ2 TRP A 68 -2.671 3.110 -0.253 1.00 63.30 H new ATOM 0 HZ3 TRP A 68 -0.523 6.187 -2.281 1.00 2.32 H new ATOM 0 HH2 TRP A 68 -2.115 5.478 -0.557 1.00 75.21 H new ATOM 1017 N HIS A 69 2.233 3.572 -7.226 1.00 43.10 N ATOM 1018 CA HIS A 69 3.291 3.616 -8.224 1.00 51.35 C ATOM 1019 C HIS A 69 4.531 4.323 -7.636 1.00 64.24 C ATOM 1020 O HIS A 69 5.079 3.867 -6.637 1.00 24.22 O ATOM 1021 CB HIS A 69 2.783 4.296 -9.513 1.00 71.50 C ATOM 1022 CG HIS A 69 3.432 3.783 -10.770 1.00 52.25 C ATOM 1023 ND1 HIS A 69 2.832 2.864 -11.591 1.00 4.30 N ATOM 1024 CD2 HIS A 69 4.625 4.058 -11.334 1.00 4.42 C ATOM 1025 CE1 HIS A 69 3.628 2.590 -12.604 1.00 41.00 C ATOM 1026 NE2 HIS A 69 4.721 3.302 -12.474 1.00 54.31 N ATOM 0 H HIS A 69 1.990 4.480 -6.830 1.00 43.10 H new ATOM 0 HA HIS A 69 3.586 2.602 -8.494 1.00 51.35 H new ATOM 0 HB2 HIS A 69 1.705 4.152 -9.588 1.00 71.50 H new ATOM 0 HB3 HIS A 69 2.957 5.369 -9.438 1.00 71.50 H new ATOM 0 HD1 HIS A 69 1.910 2.455 -11.440 1.00 4.30 H new ATOM 0 HD2 HIS A 69 5.368 4.746 -10.958 1.00 4.42 H new ATOM 0 HE1 HIS A 69 3.416 1.897 -13.405 1.00 41.00 H new ATOM 1035 N GLU A 70 4.941 5.456 -8.221 1.00 4.23 N ATOM 1036 CA GLU A 70 6.141 6.178 -7.784 1.00 63.53 C ATOM 1037 C GLU A 70 5.813 7.154 -6.657 1.00 24.10 C ATOM 1038 O GLU A 70 6.702 7.635 -5.957 1.00 74.41 O ATOM 1039 CB GLU A 70 6.775 6.898 -8.973 1.00 0.11 C ATOM 1040 CG GLU A 70 7.453 5.952 -9.958 1.00 41.31 C ATOM 1041 CD GLU A 70 7.755 6.598 -11.290 1.00 64.15 C ATOM 1042 OE1 GLU A 70 8.506 7.588 -11.322 1.00 74.42 O ATOM 1043 OE2 GLU A 70 7.219 6.128 -12.311 1.00 52.02 O ATOM 0 H GLU A 70 4.455 5.894 -9.003 1.00 4.23 H new ATOM 0 HA GLU A 70 6.860 5.459 -7.391 1.00 63.53 H new ATOM 0 HB2 GLU A 70 6.007 7.467 -9.496 1.00 0.11 H new ATOM 0 HB3 GLU A 70 7.508 7.616 -8.606 1.00 0.11 H new ATOM 0 HG2 GLU A 70 8.382 5.586 -9.520 1.00 41.31 H new ATOM 0 HG3 GLU A 70 6.813 5.085 -10.119 1.00 41.31 H new ATOM 1050 N GLN A 71 4.513 7.397 -6.475 1.00 41.35 N ATOM 1051 CA GLN A 71 3.989 8.149 -5.333 1.00 22.22 C ATOM 1052 C GLN A 71 4.211 7.333 -4.067 1.00 41.33 C ATOM 1053 O GLN A 71 4.548 7.868 -3.015 1.00 33.11 O ATOM 1054 CB GLN A 71 2.477 8.421 -5.475 1.00 14.15 C ATOM 1055 CG GLN A 71 2.048 9.149 -6.745 1.00 65.41 C ATOM 1056 CD GLN A 71 1.984 8.252 -7.972 1.00 71.30 C ATOM 1057 OE1 GLN A 71 1.697 7.056 -7.872 1.00 44.13 O ATOM 1058 NE2 GLN A 71 2.317 8.808 -9.118 1.00 41.11 N ATOM 0 H GLN A 71 3.791 7.076 -7.119 1.00 41.35 H new ATOM 0 HA GLN A 71 4.511 9.105 -5.289 1.00 22.22 H new ATOM 0 HB2 GLN A 71 1.950 7.468 -5.430 1.00 14.15 H new ATOM 0 HB3 GLN A 71 2.150 9.007 -4.616 1.00 14.15 H new ATOM 0 HG2 GLN A 71 1.068 9.598 -6.583 1.00 65.41 H new ATOM 0 HG3 GLN A 71 2.744 9.965 -6.938 1.00 65.41 H new ATOM 0 HE21 GLN A 71 2.547 9.801 -9.155 1.00 41.11 H new ATOM 0 HE22 GLN A 71 2.345 8.246 -9.969 1.00 41.11 H new ATOM 1067 N ALA A 72 4.063 6.011 -4.229 1.00 72.13 N ATOM 1068 CA ALA A 72 4.200 5.042 -3.152 1.00 34.53 C ATOM 1069 C ALA A 72 5.647 4.857 -2.705 1.00 42.11 C ATOM 1070 O ALA A 72 5.873 4.388 -1.604 1.00 41.25 O ATOM 1071 CB ALA A 72 3.596 3.715 -3.555 1.00 72.34 C ATOM 0 H ALA A 72 3.841 5.586 -5.129 1.00 72.13 H new ATOM 0 HA ALA A 72 3.655 5.441 -2.297 1.00 34.53 H new ATOM 0 HB1 ALA A 72 3.707 3.002 -2.738 1.00 72.34 H new ATOM 0 HB2 ALA A 72 2.538 3.850 -3.778 1.00 72.34 H new ATOM 0 HB3 ALA A 72 4.108 3.336 -4.440 1.00 72.34 H new ATOM 1077 N GLU A 73 6.617 5.181 -3.580 1.00 62.53 N ATOM 1078 CA GLU A 73 8.043 5.186 -3.207 1.00 75.02 C ATOM 1079 C GLU A 73 8.315 6.193 -2.079 1.00 34.21 C ATOM 1080 O GLU A 73 9.080 5.916 -1.151 1.00 43.52 O ATOM 1081 CB GLU A 73 8.929 5.531 -4.408 1.00 61.52 C ATOM 1082 CG GLU A 73 10.412 5.497 -4.071 1.00 12.23 C ATOM 1083 CD GLU A 73 11.264 6.238 -5.066 1.00 30.35 C ATOM 1084 OE1 GLU A 73 11.460 5.734 -6.182 1.00 33.44 O ATOM 1085 OE2 GLU A 73 11.744 7.339 -4.727 1.00 55.24 O ATOM 0 H GLU A 73 6.439 5.443 -4.550 1.00 62.53 H new ATOM 0 HA GLU A 73 8.286 4.182 -2.860 1.00 75.02 H new ATOM 0 HB2 GLU A 73 8.728 4.828 -5.217 1.00 61.52 H new ATOM 0 HB3 GLU A 73 8.666 6.523 -4.775 1.00 61.52 H new ATOM 0 HG2 GLU A 73 10.563 5.928 -3.081 1.00 12.23 H new ATOM 0 HG3 GLU A 73 10.743 4.460 -4.021 1.00 12.23 H new ATOM 1092 N LYS A 74 7.667 7.354 -2.162 1.00 10.22 N ATOM 1093 CA LYS A 74 7.776 8.378 -1.128 1.00 63.55 C ATOM 1094 C LYS A 74 7.168 7.884 0.192 1.00 22.13 C ATOM 1095 O LYS A 74 7.726 8.104 1.267 1.00 61.42 O ATOM 1096 CB LYS A 74 7.076 9.669 -1.586 1.00 13.35 C ATOM 1097 CG LYS A 74 7.674 10.343 -2.823 1.00 43.22 C ATOM 1098 CD LYS A 74 8.954 11.118 -2.515 1.00 52.51 C ATOM 1099 CE LYS A 74 10.212 10.281 -2.689 1.00 51.13 C ATOM 1100 NZ LYS A 74 10.464 9.928 -4.109 1.00 72.53 N ATOM 0 H LYS A 74 7.058 7.608 -2.940 1.00 10.22 H new ATOM 0 HA LYS A 74 8.832 8.588 -0.961 1.00 63.55 H new ATOM 0 HB2 LYS A 74 6.030 9.441 -1.789 1.00 13.35 H new ATOM 0 HB3 LYS A 74 7.093 10.382 -0.762 1.00 13.35 H new ATOM 0 HG2 LYS A 74 7.886 9.585 -3.577 1.00 43.22 H new ATOM 0 HG3 LYS A 74 6.938 11.023 -3.252 1.00 43.22 H new ATOM 0 HD2 LYS A 74 9.011 11.989 -3.168 1.00 52.51 H new ATOM 0 HD3 LYS A 74 8.910 11.489 -1.491 1.00 52.51 H new ATOM 0 HE2 LYS A 74 11.068 10.830 -2.296 1.00 51.13 H new ATOM 0 HE3 LYS A 74 10.122 9.368 -2.101 1.00 51.13 H new ATOM 0 HZ1 LYS A 74 10.753 8.931 -4.173 1.00 72.53 H new ATOM 0 HZ2 LYS A 74 9.595 10.073 -4.662 1.00 72.53 H new ATOM 0 HZ3 LYS A 74 11.220 10.533 -4.488 1.00 72.53 H new ATOM 1114 N VAL A 75 6.034 7.187 0.077 1.00 1.14 N ATOM 1115 CA VAL A 75 5.268 6.700 1.230 1.00 1.23 C ATOM 1116 C VAL A 75 5.955 5.496 1.919 1.00 55.50 C ATOM 1117 O VAL A 75 5.887 5.359 3.145 1.00 50.24 O ATOM 1118 CB VAL A 75 3.815 6.312 0.828 1.00 4.45 C ATOM 1119 CG1 VAL A 75 2.928 6.236 2.047 1.00 4.30 C ATOM 1120 CG2 VAL A 75 3.205 7.285 -0.166 1.00 23.15 C ATOM 0 H VAL A 75 5.619 6.943 -0.822 1.00 1.14 H new ATOM 0 HA VAL A 75 5.230 7.525 1.941 1.00 1.23 H new ATOM 0 HB VAL A 75 3.880 5.335 0.349 1.00 4.45 H new ATOM 0 HG11 VAL A 75 1.917 5.964 1.745 1.00 4.30 H new ATOM 0 HG12 VAL A 75 3.317 5.484 2.733 1.00 4.30 H new ATOM 0 HG13 VAL A 75 2.909 7.206 2.544 1.00 4.30 H new ATOM 0 HG21 VAL A 75 2.192 6.967 -0.412 1.00 23.15 H new ATOM 0 HG22 VAL A 75 3.176 8.283 0.272 1.00 23.15 H new ATOM 0 HG23 VAL A 75 3.809 7.305 -1.073 1.00 23.15 H new ATOM 1130 N GLU A 76 6.613 4.632 1.122 1.00 74.12 N ATOM 1131 CA GLU A 76 7.238 3.406 1.634 1.00 72.34 C ATOM 1132 C GLU A 76 8.446 3.718 2.536 1.00 0.41 C ATOM 1133 O GLU A 76 8.678 3.019 3.524 1.00 24.22 O ATOM 1134 CB GLU A 76 7.640 2.446 0.482 1.00 74.32 C ATOM 1135 CG GLU A 76 8.843 2.885 -0.341 1.00 60.43 C ATOM 1136 CD GLU A 76 9.289 1.868 -1.365 1.00 3.11 C ATOM 1137 OE1 GLU A 76 9.959 0.889 -0.979 1.00 2.22 O ATOM 1138 OE2 GLU A 76 8.987 2.047 -2.557 1.00 3.24 O ATOM 0 H GLU A 76 6.723 4.765 0.117 1.00 74.12 H new ATOM 0 HA GLU A 76 6.491 2.899 2.244 1.00 72.34 H new ATOM 0 HB2 GLU A 76 7.850 1.464 0.906 1.00 74.32 H new ATOM 0 HB3 GLU A 76 6.787 2.329 -0.186 1.00 74.32 H new ATOM 0 HG2 GLU A 76 8.601 3.817 -0.851 1.00 60.43 H new ATOM 0 HG3 GLU A 76 9.674 3.096 0.332 1.00 60.43 H new ATOM 1145 N ALA A 77 9.195 4.779 2.196 1.00 44.31 N ATOM 1146 CA ALA A 77 10.324 5.241 3.001 1.00 71.43 C ATOM 1147 C ALA A 77 9.862 5.776 4.351 1.00 1.33 C ATOM 1148 O ALA A 77 10.524 5.565 5.370 1.00 10.41 O ATOM 1149 CB ALA A 77 11.087 6.315 2.254 1.00 30.33 C ATOM 0 H ALA A 77 9.031 5.335 1.357 1.00 44.31 H new ATOM 0 HA ALA A 77 10.979 4.389 3.182 1.00 71.43 H new ATOM 0 HB1 ALA A 77 11.927 6.654 2.861 1.00 30.33 H new ATOM 0 HB2 ALA A 77 11.460 5.909 1.313 1.00 30.33 H new ATOM 0 HB3 ALA A 77 10.425 7.156 2.049 1.00 30.33 H new ATOM 1155 N TYR A 78 8.701 6.435 4.338 1.00 4.43 N ATOM 1156 CA TYR A 78 8.102 6.997 5.538 1.00 22.51 C ATOM 1157 C TYR A 78 7.603 5.887 6.481 1.00 42.13 C ATOM 1158 O TYR A 78 7.706 6.029 7.683 1.00 24.20 O ATOM 1159 CB TYR A 78 6.963 7.944 5.150 1.00 35.54 C ATOM 1160 CG TYR A 78 6.439 8.803 6.285 1.00 32.24 C ATOM 1161 CD1 TYR A 78 7.157 9.904 6.740 1.00 44.42 C ATOM 1162 CD2 TYR A 78 5.223 8.520 6.892 1.00 33.52 C ATOM 1163 CE1 TYR A 78 6.676 10.695 7.765 1.00 62.03 C ATOM 1164 CE2 TYR A 78 4.735 9.309 7.912 1.00 11.44 C ATOM 1165 CZ TYR A 78 5.464 10.393 8.347 1.00 14.10 C ATOM 1166 OH TYR A 78 4.976 11.174 9.370 1.00 71.42 O ATOM 0 H TYR A 78 8.154 6.591 3.491 1.00 4.43 H new ATOM 0 HA TYR A 78 8.861 7.563 6.078 1.00 22.51 H new ATOM 0 HB2 TYR A 78 7.308 8.597 4.348 1.00 35.54 H new ATOM 0 HB3 TYR A 78 6.139 7.354 4.748 1.00 35.54 H new ATOM 0 HD1 TYR A 78 8.106 10.144 6.284 1.00 44.42 H new ATOM 0 HD2 TYR A 78 4.650 7.667 6.560 1.00 33.52 H new ATOM 0 HE1 TYR A 78 7.247 11.545 8.108 1.00 62.03 H new ATOM 0 HE2 TYR A 78 3.784 9.077 8.368 1.00 11.44 H new ATOM 0 HH TYR A 78 4.110 10.823 9.665 1.00 71.42 H new ATOM 1176 N LEU A 79 7.107 4.778 5.923 1.00 12.41 N ATOM 1177 CA LEU A 79 6.621 3.645 6.727 1.00 51.13 C ATOM 1178 C LEU A 79 7.772 2.979 7.496 1.00 72.52 C ATOM 1179 O LEU A 79 7.609 2.608 8.663 1.00 5.43 O ATOM 1180 CB LEU A 79 5.893 2.631 5.812 1.00 64.25 C ATOM 1181 CG LEU A 79 5.005 1.544 6.479 1.00 65.04 C ATOM 1182 CD1 LEU A 79 5.804 0.309 6.870 1.00 2.04 C ATOM 1183 CD2 LEU A 79 4.251 2.099 7.684 1.00 72.01 C ATOM 0 H LEU A 79 7.030 4.638 4.916 1.00 12.41 H new ATOM 0 HA LEU A 79 5.913 4.016 7.468 1.00 51.13 H new ATOM 0 HB2 LEU A 79 5.266 3.196 5.122 1.00 64.25 H new ATOM 0 HB3 LEU A 79 6.648 2.122 5.213 1.00 64.25 H new ATOM 0 HG LEU A 79 4.274 1.239 5.730 1.00 65.04 H new ATOM 0 HD11 LEU A 79 5.141 -0.422 7.332 1.00 2.04 H new ATOM 0 HD12 LEU A 79 6.260 -0.126 5.981 1.00 2.04 H new ATOM 0 HD13 LEU A 79 6.584 0.589 7.578 1.00 2.04 H new ATOM 0 HD21 LEU A 79 3.640 1.311 8.125 1.00 72.01 H new ATOM 0 HD22 LEU A 79 4.964 2.463 8.424 1.00 72.01 H new ATOM 0 HD23 LEU A 79 3.609 2.920 7.365 1.00 72.01 H new ATOM 1195 N VAL A 80 8.927 2.855 6.841 1.00 15.51 N ATOM 1196 CA VAL A 80 10.114 2.255 7.456 1.00 22.42 C ATOM 1197 C VAL A 80 10.653 3.133 8.605 1.00 1.45 C ATOM 1198 O VAL A 80 11.005 2.613 9.659 1.00 21.43 O ATOM 1199 CB VAL A 80 11.226 1.980 6.392 1.00 60.11 C ATOM 1200 CG1 VAL A 80 12.482 1.370 7.012 1.00 35.32 C ATOM 1201 CG2 VAL A 80 10.701 1.055 5.298 1.00 1.11 C ATOM 0 H VAL A 80 9.067 3.164 5.879 1.00 15.51 H new ATOM 0 HA VAL A 80 9.815 1.297 7.881 1.00 22.42 H new ATOM 0 HB VAL A 80 11.497 2.944 5.963 1.00 60.11 H new ATOM 0 HG11 VAL A 80 13.225 1.197 6.233 1.00 35.32 H new ATOM 0 HG12 VAL A 80 12.889 2.054 7.757 1.00 35.32 H new ATOM 0 HG13 VAL A 80 12.229 0.423 7.489 1.00 35.32 H new ATOM 0 HG21 VAL A 80 11.488 0.874 4.566 1.00 1.11 H new ATOM 0 HG22 VAL A 80 10.392 0.108 5.740 1.00 1.11 H new ATOM 0 HG23 VAL A 80 9.848 1.521 4.806 1.00 1.11 H new ATOM 1211 N GLU A 81 10.656 4.462 8.431 1.00 30.44 N ATOM 1212 CA GLU A 81 11.180 5.365 9.470 1.00 43.22 C ATOM 1213 C GLU A 81 10.192 5.563 10.638 1.00 74.12 C ATOM 1214 O GLU A 81 10.603 5.946 11.731 1.00 21.24 O ATOM 1215 CB GLU A 81 11.621 6.709 8.871 1.00 51.32 C ATOM 1216 CG GLU A 81 10.509 7.519 8.231 1.00 61.00 C ATOM 1217 CD GLU A 81 11.025 8.666 7.397 1.00 12.15 C ATOM 1218 OE1 GLU A 81 11.747 8.409 6.412 1.00 32.51 O ATOM 1219 OE2 GLU A 81 10.695 9.822 7.703 1.00 54.42 O ATOM 0 H GLU A 81 10.308 4.932 7.595 1.00 30.44 H new ATOM 0 HA GLU A 81 12.061 4.880 9.890 1.00 43.22 H new ATOM 0 HB2 GLU A 81 12.080 7.308 9.658 1.00 51.32 H new ATOM 0 HB3 GLU A 81 12.391 6.521 8.123 1.00 51.32 H new ATOM 0 HG2 GLU A 81 9.903 6.864 7.604 1.00 61.00 H new ATOM 0 HG3 GLU A 81 9.855 7.909 9.011 1.00 61.00 H new ATOM 1226 N LYS A 82 8.898 5.310 10.409 1.00 13.53 N ATOM 1227 CA LYS A 82 7.900 5.362 11.490 1.00 62.31 C ATOM 1228 C LYS A 82 7.909 4.091 12.314 1.00 2.13 C ATOM 1229 O LYS A 82 7.676 4.145 13.521 1.00 12.15 O ATOM 1230 CB LYS A 82 6.485 5.566 10.923 1.00 74.23 C ATOM 1231 CG LYS A 82 6.256 6.905 10.234 1.00 62.52 C ATOM 1232 CD LYS A 82 6.474 8.101 11.143 1.00 4.35 C ATOM 1233 CE LYS A 82 5.331 8.277 12.122 1.00 55.33 C ATOM 1234 NZ LYS A 82 5.398 9.586 12.808 1.00 11.54 N ATOM 0 H LYS A 82 8.517 5.069 9.494 1.00 13.53 H new ATOM 0 HA LYS A 82 8.169 6.206 12.126 1.00 62.31 H new ATOM 0 HB2 LYS A 82 6.276 4.767 10.211 1.00 74.23 H new ATOM 0 HB3 LYS A 82 5.766 5.465 11.736 1.00 74.23 H new ATOM 0 HG2 LYS A 82 6.926 6.983 9.378 1.00 62.52 H new ATOM 0 HG3 LYS A 82 5.238 6.935 9.846 1.00 62.52 H new ATOM 0 HD2 LYS A 82 7.407 7.975 11.692 1.00 4.35 H new ATOM 0 HD3 LYS A 82 6.578 9.003 10.539 1.00 4.35 H new ATOM 0 HE2 LYS A 82 4.382 8.191 11.593 1.00 55.33 H new ATOM 0 HE3 LYS A 82 5.358 7.476 12.861 1.00 55.33 H new ATOM 0 HZ1 LYS A 82 4.548 9.715 13.393 1.00 11.54 H new ATOM 0 HZ2 LYS A 82 6.243 9.618 13.413 1.00 11.54 H new ATOM 0 HZ3 LYS A 82 5.450 10.346 12.100 1.00 11.54 H new ATOM 1248 N GLN A 83 8.188 2.964 11.637 1.00 10.10 N ATOM 1249 CA GLN A 83 8.122 1.605 12.206 1.00 4.44 C ATOM 1250 C GLN A 83 6.705 1.208 12.640 1.00 2.14 C ATOM 1251 O GLN A 83 6.522 0.166 13.276 1.00 62.21 O ATOM 1252 CB GLN A 83 9.096 1.423 13.389 1.00 73.24 C ATOM 1253 CG GLN A 83 10.540 1.202 12.979 1.00 63.12 C ATOM 1254 CD GLN A 83 10.725 -0.082 12.201 1.00 4.21 C ATOM 1255 OE1 GLN A 83 10.928 -1.145 12.777 1.00 22.13 O ATOM 1256 NE2 GLN A 83 10.666 0.011 10.886 1.00 61.32 N ATOM 0 H GLN A 83 8.472 2.972 10.657 1.00 10.10 H new ATOM 0 HA GLN A 83 8.424 0.941 11.396 1.00 4.44 H new ATOM 0 HB2 GLN A 83 9.043 2.305 14.028 1.00 73.24 H new ATOM 0 HB3 GLN A 83 8.767 0.574 13.989 1.00 73.24 H new ATOM 0 HG2 GLN A 83 10.876 2.043 12.373 1.00 63.12 H new ATOM 0 HG3 GLN A 83 11.169 1.179 13.869 1.00 63.12 H new ATOM 0 HE21 GLN A 83 10.495 0.915 10.446 1.00 61.32 H new ATOM 0 HE22 GLN A 83 10.791 -0.821 10.310 1.00 61.32 H new ATOM 1265 N ASP A 84 5.704 2.008 12.263 1.00 61.50 N ATOM 1266 CA ASP A 84 4.347 1.759 12.648 1.00 22.51 C ATOM 1267 C ASP A 84 3.399 2.313 11.570 1.00 33.32 C ATOM 1268 O ASP A 84 3.622 3.396 11.019 1.00 14.23 O ATOM 1269 CB ASP A 84 4.099 2.349 14.051 1.00 50.43 C ATOM 1270 CG ASP A 84 3.625 3.770 14.071 1.00 14.14 C ATOM 1271 OD1 ASP A 84 4.463 4.690 13.969 1.00 74.53 O ATOM 1272 OD2 ASP A 84 2.416 3.961 14.228 1.00 33.24 O ATOM 0 H ASP A 84 5.829 2.839 11.685 1.00 61.50 H new ATOM 0 HA ASP A 84 4.148 0.690 12.717 1.00 22.51 H new ATOM 0 HB2 ASP A 84 3.362 1.730 14.563 1.00 50.43 H new ATOM 0 HB3 ASP A 84 5.024 2.283 14.624 1.00 50.43 H new ATOM 1277 N PRO A 85 2.373 1.523 11.202 1.00 43.23 N ATOM 1278 CA PRO A 85 1.433 1.861 10.119 1.00 51.52 C ATOM 1279 C PRO A 85 0.187 2.650 10.553 1.00 24.33 C ATOM 1280 O PRO A 85 -0.773 2.750 9.787 1.00 33.44 O ATOM 1281 CB PRO A 85 1.016 0.474 9.658 1.00 20.13 C ATOM 1282 CG PRO A 85 0.980 -0.340 10.898 1.00 14.34 C ATOM 1283 CD PRO A 85 2.085 0.184 11.767 1.00 2.32 C ATOM 0 HA PRO A 85 1.896 2.513 9.379 1.00 51.52 H new ATOM 0 HB2 PRO A 85 0.042 0.495 9.170 1.00 20.13 H new ATOM 0 HB3 PRO A 85 1.725 0.066 8.937 1.00 20.13 H new ATOM 0 HG2 PRO A 85 0.015 -0.250 11.397 1.00 14.34 H new ATOM 0 HG3 PRO A 85 1.126 -1.397 10.676 1.00 14.34 H new ATOM 0 HD2 PRO A 85 1.777 0.248 12.811 1.00 2.32 H new ATOM 0 HD3 PRO A 85 2.962 -0.462 11.732 1.00 2.32 H new ATOM 1291 N THR A 86 0.184 3.203 11.756 1.00 41.22 N ATOM 1292 CA THR A 86 -1.009 3.870 12.256 1.00 61.41 C ATOM 1293 C THR A 86 -0.735 5.329 12.671 1.00 4.13 C ATOM 1294 O THR A 86 -1.668 6.134 12.752 1.00 61.14 O ATOM 1295 CB THR A 86 -1.675 3.031 13.397 1.00 55.24 C ATOM 1296 OG1 THR A 86 -2.889 3.640 13.852 1.00 45.22 O ATOM 1297 CG2 THR A 86 -0.751 2.814 14.585 1.00 33.40 C ATOM 0 H THR A 86 0.979 3.205 12.395 1.00 41.22 H new ATOM 0 HA THR A 86 -1.725 3.930 11.436 1.00 61.41 H new ATOM 0 HB THR A 86 -1.896 2.058 12.957 1.00 55.24 H new ATOM 0 HG1 THR A 86 -3.653 3.227 13.397 1.00 45.22 H new ATOM 0 HG21 THR A 86 -1.267 2.226 15.344 1.00 33.40 H new ATOM 0 HG22 THR A 86 0.142 2.282 14.259 1.00 33.40 H new ATOM 0 HG23 THR A 86 -0.465 3.779 15.005 1.00 33.40 H new ATOM 1305 N ASP A 87 0.531 5.687 12.897 1.00 14.41 N ATOM 1306 CA ASP A 87 0.881 7.059 13.276 1.00 42.50 C ATOM 1307 C ASP A 87 1.091 7.914 12.023 1.00 63.12 C ATOM 1308 O ASP A 87 2.131 7.840 11.360 1.00 34.53 O ATOM 1309 CB ASP A 87 2.129 7.075 14.175 1.00 14.33 C ATOM 1310 CG ASP A 87 2.387 8.426 14.834 1.00 65.20 C ATOM 1311 OD1 ASP A 87 2.883 9.351 14.167 1.00 44.35 O ATOM 1312 OD2 ASP A 87 2.106 8.559 16.039 1.00 24.12 O ATOM 0 H ASP A 87 1.326 5.052 12.825 1.00 14.41 H new ATOM 0 HA ASP A 87 0.057 7.486 13.848 1.00 42.50 H new ATOM 0 HB2 ASP A 87 2.018 6.317 14.950 1.00 14.33 H new ATOM 0 HB3 ASP A 87 2.999 6.798 13.580 1.00 14.33 H new ATOM 1317 N ILE A 88 0.063 8.696 11.698 1.00 44.13 N ATOM 1318 CA ILE A 88 0.038 9.535 10.504 1.00 2.51 C ATOM 1319 C ILE A 88 -1.126 10.536 10.612 1.00 65.33 C ATOM 1320 O ILE A 88 -2.198 10.207 11.136 1.00 2.25 O ATOM 1321 CB ILE A 88 -0.063 8.665 9.196 1.00 13.24 C ATOM 1322 CG1 ILE A 88 -0.074 9.522 7.918 1.00 32.35 C ATOM 1323 CG2 ILE A 88 -1.280 7.745 9.224 1.00 4.43 C ATOM 1324 CD1 ILE A 88 1.235 10.216 7.610 1.00 34.20 C ATOM 0 H ILE A 88 -0.784 8.765 12.263 1.00 44.13 H new ATOM 0 HA ILE A 88 0.973 10.091 10.437 1.00 2.51 H new ATOM 0 HB ILE A 88 0.836 8.050 9.173 1.00 13.24 H new ATOM 0 HG12 ILE A 88 -0.340 8.887 7.073 1.00 32.35 H new ATOM 0 HG13 ILE A 88 -0.856 10.276 8.009 1.00 32.35 H new ATOM 0 HG21 ILE A 88 -1.316 7.161 8.305 1.00 4.43 H new ATOM 0 HG22 ILE A 88 -1.208 7.072 10.079 1.00 4.43 H new ATOM 0 HG23 ILE A 88 -2.187 8.344 9.309 1.00 4.43 H new ATOM 0 HD11 ILE A 88 1.132 10.796 6.693 1.00 34.20 H new ATOM 0 HD12 ILE A 88 1.496 10.882 8.433 1.00 34.20 H new ATOM 0 HD13 ILE A 88 2.020 9.471 7.482 1.00 34.20 H new ATOM 1336 N LYS A 89 -0.887 11.768 10.172 1.00 24.33 N ATOM 1337 CA LYS A 89 -1.910 12.800 10.175 1.00 4.15 C ATOM 1338 C LYS A 89 -2.050 13.413 8.785 1.00 12.41 C ATOM 1339 O LYS A 89 -1.056 13.713 8.115 1.00 34.13 O ATOM 1340 CB LYS A 89 -1.583 13.875 11.224 1.00 25.32 C ATOM 1341 CG LYS A 89 -2.673 14.933 11.391 1.00 44.13 C ATOM 1342 CD LYS A 89 -2.382 15.900 12.532 1.00 53.14 C ATOM 1343 CE LYS A 89 -2.418 15.214 13.899 1.00 4.32 C ATOM 1344 NZ LYS A 89 -3.724 14.546 14.163 1.00 53.42 N ATOM 0 H LYS A 89 0.015 12.074 9.807 1.00 24.33 H new ATOM 0 HA LYS A 89 -2.865 12.347 10.442 1.00 4.15 H new ATOM 0 HB2 LYS A 89 -1.412 13.390 12.185 1.00 25.32 H new ATOM 0 HB3 LYS A 89 -0.652 14.368 10.945 1.00 25.32 H new ATOM 0 HG2 LYS A 89 -2.775 15.494 10.462 1.00 44.13 H new ATOM 0 HG3 LYS A 89 -3.628 14.440 11.572 1.00 44.13 H new ATOM 0 HD2 LYS A 89 -1.402 16.352 12.381 1.00 53.14 H new ATOM 0 HD3 LYS A 89 -3.112 16.709 12.515 1.00 53.14 H new ATOM 0 HE2 LYS A 89 -1.618 14.476 13.954 1.00 4.32 H new ATOM 0 HE3 LYS A 89 -2.226 15.952 14.678 1.00 4.32 H new ATOM 0 HZ1 LYS A 89 -3.792 14.304 15.172 1.00 53.42 H new ATOM 0 HZ2 LYS A 89 -4.501 15.189 13.908 1.00 53.42 H new ATOM 0 HZ3 LYS A 89 -3.791 13.678 13.594 1.00 53.42 H new ATOM 1358 N TYR A 90 -3.296 13.572 8.357 1.00 4.35 N ATOM 1359 CA TYR A 90 -3.599 14.132 7.050 1.00 12.25 C ATOM 1360 C TYR A 90 -4.264 15.493 7.193 1.00 71.11 C ATOM 1361 O TYR A 90 -4.995 15.748 8.152 1.00 24.12 O ATOM 1362 CB TYR A 90 -4.522 13.201 6.247 1.00 74.41 C ATOM 1363 CG TYR A 90 -4.050 11.761 6.199 1.00 63.32 C ATOM 1364 CD1 TYR A 90 -2.986 11.388 5.390 1.00 15.01 C ATOM 1365 CD2 TYR A 90 -4.651 10.786 6.983 1.00 65.24 C ATOM 1366 CE1 TYR A 90 -2.544 10.084 5.352 1.00 11.12 C ATOM 1367 CE2 TYR A 90 -4.209 9.479 6.957 1.00 14.03 C ATOM 1368 CZ TYR A 90 -3.154 9.135 6.143 1.00 61.04 C ATOM 1369 OH TYR A 90 -2.705 7.837 6.118 1.00 53.43 O ATOM 0 H TYR A 90 -4.119 13.318 8.903 1.00 4.35 H new ATOM 0 HA TYR A 90 -2.656 14.242 6.515 1.00 12.25 H new ATOM 0 HB2 TYR A 90 -5.521 13.231 6.683 1.00 74.41 H new ATOM 0 HB3 TYR A 90 -4.607 13.580 5.228 1.00 74.41 H new ATOM 0 HD1 TYR A 90 -2.496 12.133 4.780 1.00 15.01 H new ATOM 0 HD2 TYR A 90 -5.478 11.055 7.624 1.00 65.24 H new ATOM 0 HE1 TYR A 90 -1.724 9.807 4.706 1.00 11.12 H new ATOM 0 HE2 TYR A 90 -4.688 8.731 7.571 1.00 14.03 H new ATOM 0 HH TYR A 90 -3.365 7.254 6.549 1.00 53.43 H new ATOM 1379 N LYS A 91 -3.994 16.361 6.234 1.00 10.12 N ATOM 1380 CA LYS A 91 -4.664 17.647 6.136 1.00 11.41 C ATOM 1381 C LYS A 91 -5.344 17.726 4.778 1.00 10.04 C ATOM 1382 O LYS A 91 -4.824 18.324 3.832 1.00 14.32 O ATOM 1383 CB LYS A 91 -3.670 18.830 6.344 1.00 70.32 C ATOM 1384 CG LYS A 91 -2.158 18.506 6.207 1.00 75.10 C ATOM 1385 CD LYS A 91 -1.681 18.211 4.773 1.00 54.11 C ATOM 1386 CE LYS A 91 -1.805 19.428 3.865 1.00 12.14 C ATOM 1387 NZ LYS A 91 -1.043 19.272 2.603 1.00 14.21 N ATOM 0 H LYS A 91 -3.304 16.195 5.501 1.00 10.12 H new ATOM 0 HA LYS A 91 -5.409 17.732 6.927 1.00 11.41 H new ATOM 0 HB2 LYS A 91 -3.917 19.611 5.625 1.00 70.32 H new ATOM 0 HB3 LYS A 91 -3.840 19.246 7.337 1.00 70.32 H new ATOM 0 HG2 LYS A 91 -1.585 19.347 6.598 1.00 75.10 H new ATOM 0 HG3 LYS A 91 -1.929 17.645 6.834 1.00 75.10 H new ATOM 0 HD2 LYS A 91 -0.642 17.882 4.798 1.00 54.11 H new ATOM 0 HD3 LYS A 91 -2.266 17.389 4.359 1.00 54.11 H new ATOM 0 HE2 LYS A 91 -2.856 19.599 3.633 1.00 12.14 H new ATOM 0 HE3 LYS A 91 -1.448 20.311 4.395 1.00 12.14 H new ATOM 0 HZ1 LYS A 91 -0.400 20.081 2.483 1.00 14.21 H new ATOM 0 HZ2 LYS A 91 -0.490 18.392 2.638 1.00 14.21 H new ATOM 0 HZ3 LYS A 91 -1.704 19.234 1.801 1.00 14.21 H new ATOM 1401 N ASP A 92 -6.521 17.111 4.677 1.00 41.31 N ATOM 1402 CA ASP A 92 -7.120 16.840 3.378 1.00 22.14 C ATOM 1403 C ASP A 92 -8.575 16.424 3.559 1.00 60.11 C ATOM 1404 O ASP A 92 -9.027 16.231 4.686 1.00 41.25 O ATOM 1405 CB ASP A 92 -6.318 15.744 2.681 1.00 43.22 C ATOM 1406 CG ASP A 92 -6.542 15.669 1.189 1.00 25.22 C ATOM 1407 OD1 ASP A 92 -6.223 16.634 0.473 1.00 72.44 O ATOM 1408 OD2 ASP A 92 -7.014 14.624 0.726 1.00 31.00 O ATOM 0 H ASP A 92 -7.073 16.794 5.474 1.00 41.31 H new ATOM 0 HA ASP A 92 -7.100 17.737 2.760 1.00 22.14 H new ATOM 0 HB2 ASP A 92 -5.257 15.909 2.870 1.00 43.22 H new ATOM 0 HB3 ASP A 92 -6.575 14.782 3.125 1.00 43.22 H new ATOM 1413 N ASN A 93 -9.291 16.257 2.454 1.00 63.22 N ATOM 1414 CA ASN A 93 -10.663 15.772 2.484 1.00 31.14 C ATOM 1415 C ASN A 93 -10.713 14.255 2.196 1.00 30.14 C ATOM 1416 O ASN A 93 -11.778 13.638 2.254 1.00 4.22 O ATOM 1417 CB ASN A 93 -11.495 16.562 1.461 1.00 51.01 C ATOM 1418 CG ASN A 93 -12.980 16.548 1.753 1.00 34.34 C ATOM 1419 OD1 ASN A 93 -13.719 15.712 1.248 1.00 52.32 O ATOM 1420 ND2 ASN A 93 -13.423 17.481 2.574 1.00 75.44 N ATOM 0 H ASN A 93 -8.938 16.453 1.517 1.00 63.22 H new ATOM 0 HA ASN A 93 -11.083 15.926 3.478 1.00 31.14 H new ATOM 0 HB2 ASN A 93 -11.146 17.595 1.440 1.00 51.01 H new ATOM 0 HB3 ASN A 93 -11.324 16.148 0.467 1.00 51.01 H new ATOM 0 HD21 ASN A 93 -14.415 17.524 2.809 1.00 75.44 H new ATOM 0 HD22 ASN A 93 -12.774 18.159 2.973 1.00 75.44 H new ATOM 1427 N ASP A 94 -9.555 13.648 1.898 1.00 63.11 N ATOM 1428 CA ASP A 94 -9.480 12.203 1.654 1.00 65.23 C ATOM 1429 C ASP A 94 -8.373 11.588 2.494 1.00 71.02 C ATOM 1430 O ASP A 94 -8.613 10.652 3.254 1.00 62.20 O ATOM 1431 CB ASP A 94 -9.210 11.867 0.178 1.00 53.15 C ATOM 1432 CG ASP A 94 -9.755 10.501 -0.203 1.00 12.31 C ATOM 1433 OD1 ASP A 94 -9.194 9.475 0.231 1.00 22.03 O ATOM 1434 OD2 ASP A 94 -10.762 10.446 -0.935 1.00 0.25 O ATOM 0 H ASP A 94 -8.662 14.134 1.821 1.00 63.11 H new ATOM 0 HA ASP A 94 -10.451 11.791 1.928 1.00 65.23 H new ATOM 0 HB2 ASP A 94 -9.664 12.628 -0.456 1.00 53.15 H new ATOM 0 HB3 ASP A 94 -8.137 11.894 -0.010 1.00 53.15 H new ATOM 1439 N GLY A 95 -7.167 12.141 2.379 1.00 33.55 N ATOM 1440 CA GLY A 95 -6.020 11.549 3.029 1.00 22.40 C ATOM 1441 C GLY A 95 -4.700 11.905 2.373 1.00 62.23 C ATOM 1442 O GLY A 95 -3.941 11.028 2.000 1.00 34.11 O ATOM 0 H GLY A 95 -6.969 12.988 1.846 1.00 33.55 H new ATOM 0 HA2 GLY A 95 -5.997 11.870 4.070 1.00 22.40 H new ATOM 0 HA3 GLY A 95 -6.134 10.465 3.032 1.00 22.40 H new ATOM 1446 N HIS A 96 -4.423 13.192 2.251 1.00 65.34 N ATOM 1447 CA HIS A 96 -3.124 13.672 1.783 1.00 54.31 C ATOM 1448 C HIS A 96 -2.341 14.238 2.942 1.00 31.32 C ATOM 1449 O HIS A 96 -2.908 14.811 3.867 1.00 23.45 O ATOM 1450 CB HIS A 96 -3.259 14.760 0.712 1.00 41.55 C ATOM 1451 CG HIS A 96 -3.626 14.260 -0.654 1.00 31.04 C ATOM 1452 ND1 HIS A 96 -4.614 14.838 -1.418 1.00 33.10 N ATOM 1453 CD2 HIS A 96 -3.126 13.247 -1.398 1.00 70.32 C ATOM 1454 CE1 HIS A 96 -4.711 14.207 -2.567 1.00 72.33 C ATOM 1455 NE2 HIS A 96 -3.819 13.238 -2.584 1.00 14.52 N ATOM 0 H HIS A 96 -5.086 13.935 2.471 1.00 65.34 H new ATOM 0 HA HIS A 96 -2.608 12.819 1.344 1.00 54.31 H new ATOM 0 HB2 HIS A 96 -4.014 15.476 1.036 1.00 41.55 H new ATOM 0 HB3 HIS A 96 -2.315 15.301 0.643 1.00 41.55 H new ATOM 0 HD2 HIS A 96 -2.332 12.573 -1.113 1.00 70.32 H new ATOM 0 HE1 HIS A 96 -5.404 14.443 -3.361 1.00 72.33 H new ATOM 0 HE2 HIS A 96 -3.667 12.586 -3.354 1.00 14.52 H new ATOM 1464 N THR A 97 -1.040 14.113 2.859 1.00 45.44 N ATOM 1465 CA THR A 97 -0.162 14.587 3.902 1.00 32.54 C ATOM 1466 C THR A 97 1.026 15.296 3.262 1.00 13.44 C ATOM 1467 O THR A 97 1.474 14.920 2.175 1.00 71.14 O ATOM 1468 CB THR A 97 0.278 13.437 4.858 1.00 21.53 C ATOM 1469 OG1 THR A 97 1.182 13.923 5.854 1.00 4.35 O ATOM 1470 CG2 THR A 97 0.920 12.273 4.116 1.00 71.35 C ATOM 0 H THR A 97 -0.560 13.681 2.069 1.00 45.44 H new ATOM 0 HA THR A 97 -0.699 15.299 4.529 1.00 32.54 H new ATOM 0 HB THR A 97 -0.631 13.068 5.334 1.00 21.53 H new ATOM 0 HG1 THR A 97 0.719 13.981 6.716 1.00 4.35 H new ATOM 0 HG21 THR A 97 1.207 11.501 4.830 1.00 71.35 H new ATOM 0 HG22 THR A 97 0.208 11.860 3.401 1.00 71.35 H new ATOM 0 HG23 THR A 97 1.805 12.624 3.585 1.00 71.35 H new ATOM 1478 N ASP A 98 1.511 16.337 3.926 1.00 74.33 N ATOM 1479 CA ASP A 98 2.585 17.164 3.382 1.00 64.43 C ATOM 1480 C ASP A 98 3.944 16.624 3.844 1.00 31.45 C ATOM 1481 O ASP A 98 4.989 16.967 3.283 1.00 41.35 O ATOM 1482 CB ASP A 98 2.391 18.626 3.812 1.00 35.12 C ATOM 1483 CG ASP A 98 3.232 19.603 3.007 1.00 53.30 C ATOM 1484 OD1 ASP A 98 2.840 19.923 1.871 1.00 54.53 O ATOM 1485 OD2 ASP A 98 4.274 20.060 3.511 1.00 34.10 O ATOM 0 H ASP A 98 1.178 16.631 4.844 1.00 74.33 H new ATOM 0 HA ASP A 98 2.557 17.126 2.293 1.00 64.43 H new ATOM 0 HB2 ASP A 98 1.339 18.892 3.709 1.00 35.12 H new ATOM 0 HB3 ASP A 98 2.643 18.724 4.868 1.00 35.12 H new ATOM 1490 N ALA A 99 3.894 15.741 4.856 1.00 55.15 N ATOM 1491 CA ALA A 99 5.070 15.048 5.374 1.00 3.21 C ATOM 1492 C ALA A 99 5.665 14.140 4.305 1.00 44.01 C ATOM 1493 O ALA A 99 6.878 14.108 4.104 1.00 3.33 O ATOM 1494 CB ALA A 99 4.699 14.238 6.608 1.00 51.43 C ATOM 0 H ALA A 99 3.029 15.492 5.335 1.00 55.15 H new ATOM 0 HA ALA A 99 5.818 15.790 5.653 1.00 3.21 H new ATOM 0 HB1 ALA A 99 5.583 13.725 6.986 1.00 51.43 H new ATOM 0 HB2 ALA A 99 4.309 14.905 7.377 1.00 51.43 H new ATOM 0 HB3 ALA A 99 3.938 13.503 6.346 1.00 51.43 H new ATOM 1500 N ILE A 100 4.788 13.420 3.613 1.00 31.55 N ATOM 1501 CA ILE A 100 5.173 12.645 2.451 1.00 1.43 C ATOM 1502 C ILE A 100 4.977 13.505 1.201 1.00 61.13 C ATOM 1503 O ILE A 100 3.924 13.481 0.556 1.00 73.21 O ATOM 1504 CB ILE A 100 4.365 11.329 2.360 1.00 63.34 C ATOM 1505 CG1 ILE A 100 4.392 10.612 3.719 1.00 61.53 C ATOM 1506 CG2 ILE A 100 4.948 10.432 1.283 1.00 14.05 C ATOM 1507 CD1 ILE A 100 3.454 9.438 3.831 1.00 62.40 C ATOM 0 H ILE A 100 3.796 13.361 3.845 1.00 31.55 H new ATOM 0 HA ILE A 100 6.222 12.363 2.536 1.00 1.43 H new ATOM 0 HB ILE A 100 3.332 11.560 2.099 1.00 63.34 H new ATOM 0 HG12 ILE A 100 5.408 10.268 3.912 1.00 61.53 H new ATOM 0 HG13 ILE A 100 4.146 11.332 4.499 1.00 61.53 H new ATOM 0 HG21 ILE A 100 4.372 9.508 1.227 1.00 14.05 H new ATOM 0 HG22 ILE A 100 4.907 10.944 0.322 1.00 14.05 H new ATOM 0 HG23 ILE A 100 5.985 10.199 1.526 1.00 14.05 H new ATOM 0 HD11 ILE A 100 3.542 8.995 4.823 1.00 62.40 H new ATOM 0 HD12 ILE A 100 2.429 9.775 3.673 1.00 62.40 H new ATOM 0 HD13 ILE A 100 3.711 8.694 3.078 1.00 62.40 H new ATOM 1519 N SER A 101 5.989 14.319 0.934 1.00 70.11 N ATOM 1520 CA SER A 101 5.955 15.280 -0.153 1.00 75.45 C ATOM 1521 C SER A 101 6.279 14.607 -1.489 1.00 31.21 C ATOM 1522 O SER A 101 7.421 14.219 -1.750 1.00 35.50 O ATOM 1523 CB SER A 101 6.935 16.420 0.146 1.00 22.32 C ATOM 1524 OG SER A 101 6.750 17.511 -0.741 1.00 54.33 O ATOM 0 H SER A 101 6.858 14.329 1.468 1.00 70.11 H new ATOM 0 HA SER A 101 4.949 15.692 -0.235 1.00 75.45 H new ATOM 0 HB2 SER A 101 6.799 16.758 1.173 1.00 22.32 H new ATOM 0 HB3 SER A 101 7.958 16.053 0.064 1.00 22.32 H new ATOM 0 HG SER A 101 7.389 18.222 -0.523 1.00 54.33 H new ATOM 1530 N GLY A 102 5.245 14.447 -2.306 1.00 42.41 N ATOM 1531 CA GLY A 102 5.403 13.858 -3.620 1.00 14.41 C ATOM 1532 C GLY A 102 4.268 12.915 -3.965 1.00 74.13 C ATOM 1533 O GLY A 102 4.029 12.628 -5.139 1.00 51.44 O ATOM 0 H GLY A 102 4.289 14.719 -2.077 1.00 42.41 H new ATOM 0 HA2 GLY A 102 5.455 14.650 -4.367 1.00 14.41 H new ATOM 0 HA3 GLY A 102 6.348 13.317 -3.662 1.00 14.41 H new ATOM 1537 N ALA A 103 3.571 12.441 -2.932 1.00 25.40 N ATOM 1538 CA ALA A 103 2.475 11.499 -3.091 1.00 23.41 C ATOM 1539 C ALA A 103 1.203 12.190 -3.597 1.00 54.44 C ATOM 1540 O ALA A 103 0.510 12.889 -2.848 1.00 10.13 O ATOM 1541 CB ALA A 103 2.218 10.784 -1.781 1.00 0.32 C ATOM 0 H ALA A 103 3.754 12.702 -1.963 1.00 25.40 H new ATOM 0 HA ALA A 103 2.762 10.766 -3.845 1.00 23.41 H new ATOM 0 HB1 ALA A 103 1.396 10.079 -1.906 1.00 0.32 H new ATOM 0 HB2 ALA A 103 3.116 10.244 -1.479 1.00 0.32 H new ATOM 0 HB3 ALA A 103 1.957 11.513 -1.014 1.00 0.32 H new ATOM 1547 N THR A 104 0.929 11.998 -4.891 1.00 72.15 N ATOM 1548 CA THR A 104 -0.227 12.597 -5.563 1.00 51.44 C ATOM 1549 C THR A 104 -1.522 11.846 -5.220 1.00 2.04 C ATOM 1550 O THR A 104 -2.586 12.451 -5.109 1.00 1.44 O ATOM 1551 CB THR A 104 0.000 12.623 -7.097 1.00 64.14 C ATOM 1552 OG1 THR A 104 1.283 13.196 -7.373 1.00 70.11 O ATOM 1553 CG2 THR A 104 -1.063 13.443 -7.826 1.00 30.25 C ATOM 0 H THR A 104 1.505 11.421 -5.504 1.00 72.15 H new ATOM 0 HA THR A 104 -0.334 13.621 -5.206 1.00 51.44 H new ATOM 0 HB THR A 104 -0.060 11.595 -7.454 1.00 64.14 H new ATOM 0 HG1 THR A 104 1.432 13.213 -8.341 1.00 70.11 H new ATOM 0 HG21 THR A 104 -0.861 13.431 -8.897 1.00 30.25 H new ATOM 0 HG22 THR A 104 -2.047 13.013 -7.638 1.00 30.25 H new ATOM 0 HG23 THR A 104 -1.041 14.471 -7.464 1.00 30.25 H new ATOM 1561 N ILE A 105 -1.410 10.541 -5.019 1.00 51.04 N ATOM 1562 CA ILE A 105 -2.545 9.719 -4.628 1.00 24.23 C ATOM 1563 C ILE A 105 -2.649 9.703 -3.090 1.00 21.11 C ATOM 1564 O ILE A 105 -1.632 9.856 -2.398 1.00 14.14 O ATOM 1565 CB ILE A 105 -2.415 8.296 -5.265 1.00 13.14 C ATOM 1566 CG1 ILE A 105 -3.703 7.437 -5.080 1.00 34.14 C ATOM 1567 CG2 ILE A 105 -1.147 7.579 -4.791 1.00 72.41 C ATOM 1568 CD1 ILE A 105 -3.689 6.396 -3.969 1.00 45.23 C ATOM 0 H ILE A 105 -0.536 10.025 -5.122 1.00 51.04 H new ATOM 0 HA ILE A 105 -3.479 10.136 -5.006 1.00 24.23 H new ATOM 0 HB ILE A 105 -2.310 8.437 -6.341 1.00 13.14 H new ATOM 0 HG12 ILE A 105 -4.538 8.114 -4.899 1.00 34.14 H new ATOM 0 HG13 ILE A 105 -3.906 6.925 -6.021 1.00 34.14 H new ATOM 0 HG21 ILE A 105 -1.091 6.594 -5.254 1.00 72.41 H new ATOM 0 HG22 ILE A 105 -0.271 8.163 -5.074 1.00 72.41 H new ATOM 0 HG23 ILE A 105 -1.175 7.469 -3.707 1.00 72.41 H new ATOM 0 HD11 ILE A 105 -4.644 5.871 -3.950 1.00 45.23 H new ATOM 0 HD12 ILE A 105 -2.886 5.682 -4.150 1.00 45.23 H new ATOM 0 HD13 ILE A 105 -3.527 6.889 -3.010 1.00 45.23 H new ATOM 1580 N LYS A 106 -3.889 9.605 -2.577 1.00 34.33 N ATOM 1581 CA LYS A 106 -4.160 9.592 -1.138 1.00 22.13 C ATOM 1582 C LYS A 106 -3.443 8.455 -0.398 1.00 42.43 C ATOM 1583 O LYS A 106 -3.616 7.269 -0.674 1.00 25.22 O ATOM 1584 CB LYS A 106 -5.677 9.591 -0.823 1.00 22.12 C ATOM 1585 CG LYS A 106 -6.516 8.449 -1.414 1.00 44.23 C ATOM 1586 CD LYS A 106 -6.932 8.710 -2.857 1.00 14.12 C ATOM 1587 CE LYS A 106 -8.073 7.803 -3.298 1.00 72.11 C ATOM 1588 NZ LYS A 106 -9.336 8.129 -2.582 1.00 12.31 N ATOM 0 H LYS A 106 -4.728 9.533 -3.153 1.00 34.33 H new ATOM 0 HA LYS A 106 -3.744 10.526 -0.759 1.00 22.13 H new ATOM 0 HB2 LYS A 106 -5.797 9.573 0.260 1.00 22.12 H new ATOM 0 HB3 LYS A 106 -6.095 10.534 -1.174 1.00 22.12 H new ATOM 0 HG2 LYS A 106 -5.945 7.522 -1.367 1.00 44.23 H new ATOM 0 HG3 LYS A 106 -7.408 8.305 -0.804 1.00 44.23 H new ATOM 0 HD2 LYS A 106 -7.236 9.751 -2.963 1.00 14.12 H new ATOM 0 HD3 LYS A 106 -6.075 8.559 -3.514 1.00 14.12 H new ATOM 0 HE2 LYS A 106 -8.226 7.905 -4.372 1.00 72.11 H new ATOM 0 HE3 LYS A 106 -7.806 6.763 -3.111 1.00 72.11 H new ATOM 0 HZ1 LYS A 106 -10.144 7.740 -3.109 1.00 12.31 H new ATOM 0 HZ2 LYS A 106 -9.312 7.714 -1.629 1.00 12.31 H new ATOM 0 HZ3 LYS A 106 -9.436 9.161 -2.508 1.00 12.31 H new ATOM 1602 N VAL A 107 -2.654 8.889 0.576 1.00 43.14 N ATOM 1603 CA VAL A 107 -1.795 8.051 1.410 1.00 71.44 C ATOM 1604 C VAL A 107 -2.601 7.273 2.470 1.00 34.10 C ATOM 1605 O VAL A 107 -2.114 6.290 3.042 1.00 1.42 O ATOM 1606 CB VAL A 107 -0.719 8.987 2.060 1.00 3.42 C ATOM 1607 CG1 VAL A 107 0.074 8.352 3.180 1.00 43.11 C ATOM 1608 CG2 VAL A 107 0.249 9.457 0.999 1.00 43.40 C ATOM 0 H VAL A 107 -2.591 9.878 0.819 1.00 43.14 H new ATOM 0 HA VAL A 107 -1.310 7.288 0.801 1.00 71.44 H new ATOM 0 HB VAL A 107 -1.278 9.813 2.500 1.00 3.42 H new ATOM 0 HG11 VAL A 107 0.794 9.072 3.570 1.00 43.11 H new ATOM 0 HG12 VAL A 107 -0.603 8.048 3.978 1.00 43.11 H new ATOM 0 HG13 VAL A 107 0.604 7.478 2.801 1.00 43.11 H new ATOM 0 HG21 VAL A 107 0.997 10.108 1.452 1.00 43.40 H new ATOM 0 HG22 VAL A 107 0.742 8.595 0.549 1.00 43.40 H new ATOM 0 HG23 VAL A 107 -0.293 10.007 0.230 1.00 43.40 H new ATOM 1618 N LYS A 108 -3.862 7.676 2.676 1.00 31.30 N ATOM 1619 CA LYS A 108 -4.697 7.104 3.729 1.00 31.11 C ATOM 1620 C LYS A 108 -4.991 5.616 3.521 1.00 13.01 C ATOM 1621 O LYS A 108 -5.191 4.906 4.490 1.00 63.41 O ATOM 1622 CB LYS A 108 -5.990 7.925 3.923 1.00 20.14 C ATOM 1623 CG LYS A 108 -7.036 7.851 2.807 1.00 22.55 C ATOM 1624 CD LYS A 108 -8.058 6.728 3.029 1.00 31.12 C ATOM 1625 CE LYS A 108 -8.789 6.866 4.363 1.00 4.10 C ATOM 1626 NZ LYS A 108 -9.645 5.687 4.653 1.00 10.41 N ATOM 0 H LYS A 108 -4.323 8.398 2.123 1.00 31.30 H new ATOM 0 HA LYS A 108 -4.119 7.165 4.651 1.00 31.11 H new ATOM 0 HB2 LYS A 108 -6.461 7.600 4.851 1.00 20.14 H new ATOM 0 HB3 LYS A 108 -5.711 8.970 4.056 1.00 20.14 H new ATOM 0 HG2 LYS A 108 -7.559 8.805 2.740 1.00 22.55 H new ATOM 0 HG3 LYS A 108 -6.533 7.696 1.852 1.00 22.55 H new ATOM 0 HD2 LYS A 108 -8.785 6.735 2.217 1.00 31.12 H new ATOM 0 HD3 LYS A 108 -7.549 5.765 2.994 1.00 31.12 H new ATOM 0 HE2 LYS A 108 -8.061 6.991 5.164 1.00 4.10 H new ATOM 0 HE3 LYS A 108 -9.404 7.766 4.348 1.00 4.10 H new ATOM 0 HZ1 LYS A 108 -10.434 5.973 5.267 1.00 10.41 H new ATOM 0 HZ2 LYS A 108 -10.021 5.304 3.762 1.00 10.41 H new ATOM 0 HZ3 LYS A 108 -9.080 4.957 5.133 1.00 10.41 H new ATOM 1640 N LYS A 109 -4.997 5.158 2.262 1.00 31.04 N ATOM 1641 CA LYS A 109 -5.242 3.747 1.954 1.00 23.34 C ATOM 1642 C LYS A 109 -3.986 2.893 2.203 1.00 51.54 C ATOM 1643 O LYS A 109 -4.097 1.709 2.507 1.00 23.30 O ATOM 1644 CB LYS A 109 -5.762 3.587 0.510 1.00 4.42 C ATOM 1645 CG LYS A 109 -6.079 2.138 0.121 1.00 72.22 C ATOM 1646 CD LYS A 109 -7.006 2.022 -1.078 1.00 30.55 C ATOM 1647 CE LYS A 109 -8.418 2.496 -0.753 1.00 33.54 C ATOM 1648 NZ LYS A 109 -9.341 2.327 -1.905 1.00 54.51 N ATOM 0 H LYS A 109 -4.835 5.745 1.443 1.00 31.04 H new ATOM 0 HA LYS A 109 -6.016 3.382 2.629 1.00 23.34 H new ATOM 0 HB2 LYS A 109 -6.662 4.190 0.389 1.00 4.42 H new ATOM 0 HB3 LYS A 109 -5.017 3.984 -0.180 1.00 4.42 H new ATOM 0 HG2 LYS A 109 -5.147 1.617 -0.098 1.00 72.22 H new ATOM 0 HG3 LYS A 109 -6.534 1.633 0.973 1.00 72.22 H new ATOM 0 HD2 LYS A 109 -6.607 2.611 -1.904 1.00 30.55 H new ATOM 0 HD3 LYS A 109 -7.039 0.985 -1.412 1.00 30.55 H new ATOM 0 HE2 LYS A 109 -8.800 1.938 0.102 1.00 33.54 H new ATOM 0 HE3 LYS A 109 -8.390 3.546 -0.462 1.00 33.54 H new ATOM 0 HZ1 LYS A 109 -10.142 2.983 -1.807 1.00 54.51 H new ATOM 0 HZ2 LYS A 109 -8.833 2.530 -2.790 1.00 54.51 H new ATOM 0 HZ3 LYS A 109 -9.695 1.349 -1.926 1.00 54.51 H new ATOM 1662 N PHE A 110 -2.803 3.507 2.106 1.00 42.42 N ATOM 1663 CA PHE A 110 -1.542 2.818 2.405 1.00 75.25 C ATOM 1664 C PHE A 110 -1.491 2.429 3.873 1.00 41.44 C ATOM 1665 O PHE A 110 -1.278 1.268 4.195 1.00 71.01 O ATOM 1666 CB PHE A 110 -0.331 3.705 2.039 1.00 24.35 C ATOM 1667 CG PHE A 110 1.001 3.119 2.424 1.00 23.54 C ATOM 1668 CD1 PHE A 110 1.628 2.174 1.628 1.00 41.12 C ATOM 1669 CD2 PHE A 110 1.613 3.513 3.597 1.00 0.32 C ATOM 1670 CE1 PHE A 110 2.836 1.627 2.013 1.00 40.55 C ATOM 1671 CE2 PHE A 110 2.815 2.979 3.980 1.00 1.43 C ATOM 1672 CZ PHE A 110 3.430 2.036 3.192 1.00 14.12 C ATOM 0 H PHE A 110 -2.691 4.480 1.823 1.00 42.42 H new ATOM 0 HA PHE A 110 -1.494 1.912 1.801 1.00 75.25 H new ATOM 0 HB2 PHE A 110 -0.339 3.886 0.964 1.00 24.35 H new ATOM 0 HB3 PHE A 110 -0.444 4.674 2.526 1.00 24.35 H new ATOM 0 HD1 PHE A 110 1.169 1.863 0.701 1.00 41.12 H new ATOM 0 HD2 PHE A 110 1.137 4.254 4.222 1.00 0.32 H new ATOM 0 HE1 PHE A 110 3.315 0.882 1.395 1.00 40.55 H new ATOM 0 HE2 PHE A 110 3.279 3.299 4.901 1.00 1.43 H new ATOM 0 HZ PHE A 110 4.377 1.615 3.494 1.00 14.12 H new ATOM 1682 N PHE A 111 -1.701 3.411 4.742 1.00 54.14 N ATOM 1683 CA PHE A 111 -1.672 3.189 6.178 1.00 31.44 C ATOM 1684 C PHE A 111 -2.903 2.404 6.658 1.00 34.34 C ATOM 1685 O PHE A 111 -2.820 1.698 7.651 1.00 72.02 O ATOM 1686 CB PHE A 111 -1.522 4.519 6.922 1.00 22.31 C ATOM 1687 CG PHE A 111 -0.121 5.091 6.861 1.00 34.31 C ATOM 1688 CD1 PHE A 111 0.836 4.696 7.783 1.00 24.11 C ATOM 1689 CD2 PHE A 111 0.242 6.016 5.895 1.00 55.42 C ATOM 1690 CE1 PHE A 111 2.119 5.204 7.746 1.00 14.13 C ATOM 1691 CE2 PHE A 111 1.529 6.527 5.856 1.00 63.53 C ATOM 1692 CZ PHE A 111 2.465 6.119 6.781 1.00 14.42 C ATOM 0 H PHE A 111 -1.894 4.375 4.471 1.00 54.14 H new ATOM 0 HA PHE A 111 -0.801 2.574 6.407 1.00 31.44 H new ATOM 0 HB2 PHE A 111 -2.220 5.243 6.501 1.00 22.31 H new ATOM 0 HB3 PHE A 111 -1.802 4.376 7.966 1.00 22.31 H new ATOM 0 HD1 PHE A 111 0.573 3.977 8.545 1.00 24.11 H new ATOM 0 HD2 PHE A 111 -0.485 6.341 5.166 1.00 55.42 H new ATOM 0 HE1 PHE A 111 2.849 4.883 8.474 1.00 14.13 H new ATOM 0 HE2 PHE A 111 1.799 7.247 5.098 1.00 63.53 H new ATOM 0 HZ PHE A 111 3.468 6.517 6.748 1.00 14.42 H new ATOM 1702 N ASP A 112 -4.023 2.518 5.924 1.00 25.10 N ATOM 1703 CA ASP A 112 -5.254 1.751 6.202 1.00 32.42 C ATOM 1704 C ASP A 112 -5.004 0.258 6.043 1.00 44.12 C ATOM 1705 O ASP A 112 -5.227 -0.517 6.966 1.00 41.43 O ATOM 1706 CB ASP A 112 -6.360 2.139 5.219 1.00 1.12 C ATOM 1707 CG ASP A 112 -7.718 2.308 5.866 1.00 20.41 C ATOM 1708 OD1 ASP A 112 -8.368 1.290 6.180 1.00 3.51 O ATOM 1709 OD2 ASP A 112 -8.155 3.466 6.031 1.00 2.31 O ATOM 0 H ASP A 112 -4.103 3.143 5.122 1.00 25.10 H new ATOM 0 HA ASP A 112 -5.555 1.978 7.225 1.00 32.42 H new ATOM 0 HB2 ASP A 112 -6.084 3.071 4.725 1.00 1.12 H new ATOM 0 HB3 ASP A 112 -6.429 1.376 4.444 1.00 1.12 H new ATOM 1714 N LEU A 113 -4.488 -0.111 4.866 1.00 43.55 N ATOM 1715 CA LEU A 113 -4.242 -1.505 4.505 1.00 62.41 C ATOM 1716 C LEU A 113 -3.021 -2.081 5.219 1.00 55.22 C ATOM 1717 O LEU A 113 -2.899 -3.290 5.352 1.00 41.52 O ATOM 1718 CB LEU A 113 -4.069 -1.656 2.985 1.00 32.44 C ATOM 1719 CG LEU A 113 -5.330 -2.003 2.176 1.00 54.34 C ATOM 1720 CD1 LEU A 113 -6.035 -3.200 2.777 1.00 63.34 C ATOM 1721 CD2 LEU A 113 -6.288 -0.834 2.084 1.00 30.31 C ATOM 0 H LEU A 113 -4.229 0.553 4.137 1.00 43.55 H new ATOM 0 HA LEU A 113 -5.117 -2.069 4.828 1.00 62.41 H new ATOM 0 HB2 LEU A 113 -3.661 -0.724 2.595 1.00 32.44 H new ATOM 0 HB3 LEU A 113 -3.324 -2.431 2.803 1.00 32.44 H new ATOM 0 HG LEU A 113 -5.003 -2.246 1.165 1.00 54.34 H new ATOM 0 HD11 LEU A 113 -6.925 -3.430 2.191 1.00 63.34 H new ATOM 0 HD12 LEU A 113 -5.364 -4.059 2.770 1.00 63.34 H new ATOM 0 HD13 LEU A 113 -6.325 -2.974 3.803 1.00 63.34 H new ATOM 0 HD21 LEU A 113 -7.163 -1.126 1.504 1.00 30.31 H new ATOM 0 HD22 LEU A 113 -6.599 -0.539 3.086 1.00 30.31 H new ATOM 0 HD23 LEU A 113 -5.792 0.005 1.596 1.00 30.31 H new ATOM 1733 N ALA A 114 -2.112 -1.214 5.651 1.00 64.14 N ATOM 1734 CA ALA A 114 -0.993 -1.624 6.485 1.00 61.54 C ATOM 1735 C ALA A 114 -1.454 -2.015 7.896 1.00 2.13 C ATOM 1736 O ALA A 114 -0.937 -2.969 8.468 1.00 63.33 O ATOM 1737 CB ALA A 114 0.042 -0.525 6.535 1.00 52.15 C ATOM 0 H ALA A 114 -2.131 -0.217 5.435 1.00 64.14 H new ATOM 0 HA ALA A 114 -0.541 -2.511 6.040 1.00 61.54 H new ATOM 0 HB1 ALA A 114 0.877 -0.840 7.161 1.00 52.15 H new ATOM 0 HB2 ALA A 114 0.402 -0.318 5.527 1.00 52.15 H new ATOM 0 HB3 ALA A 114 -0.405 0.377 6.953 1.00 52.15 H new ATOM 1743 N GLN A 115 -2.456 -1.299 8.430 1.00 70.24 N ATOM 1744 CA GLN A 115 -3.082 -1.652 9.718 1.00 15.01 C ATOM 1745 C GLN A 115 -3.899 -2.942 9.590 1.00 10.34 C ATOM 1746 O GLN A 115 -3.970 -3.741 10.519 1.00 22.11 O ATOM 1747 CB GLN A 115 -4.003 -0.529 10.208 1.00 50.33 C ATOM 1748 CG GLN A 115 -3.286 0.730 10.664 1.00 30.01 C ATOM 1749 CD GLN A 115 -4.250 1.860 10.968 1.00 21.42 C ATOM 1750 OE1 GLN A 115 -4.728 2.000 12.090 1.00 51.54 O ATOM 1751 NE2 GLN A 115 -4.541 2.674 9.968 1.00 5.12 N ATOM 0 H GLN A 115 -2.852 -0.469 7.989 1.00 70.24 H new ATOM 0 HA GLN A 115 -2.278 -1.799 10.440 1.00 15.01 H new ATOM 0 HB2 GLN A 115 -4.692 -0.267 9.405 1.00 50.33 H new ATOM 0 HB3 GLN A 115 -4.605 -0.907 11.034 1.00 50.33 H new ATOM 0 HG2 GLN A 115 -2.697 0.508 11.554 1.00 30.01 H new ATOM 0 HG3 GLN A 115 -2.588 1.049 9.890 1.00 30.01 H new ATOM 0 HE21 GLN A 115 -4.123 2.524 9.050 1.00 5.12 H new ATOM 0 HE22 GLN A 115 -5.184 3.452 10.114 1.00 5.12 H new ATOM 1760 N LYS A 116 -4.495 -3.134 8.413 1.00 2.11 N ATOM 1761 CA LYS A 116 -5.288 -4.319 8.093 1.00 32.23 C ATOM 1762 C LYS A 116 -4.407 -5.550 7.863 1.00 14.33 C ATOM 1763 O LYS A 116 -4.874 -6.676 7.980 1.00 32.24 O ATOM 1764 CB LYS A 116 -6.184 -4.042 6.883 1.00 72.40 C ATOM 1765 CG LYS A 116 -7.297 -3.050 7.193 1.00 23.45 C ATOM 1766 CD LYS A 116 -8.034 -2.586 5.945 1.00 23.33 C ATOM 1767 CE LYS A 116 -8.883 -3.683 5.325 1.00 52.32 C ATOM 1768 NZ LYS A 116 -9.713 -3.165 4.210 1.00 1.34 N ATOM 0 H LYS A 116 -4.439 -2.463 7.647 1.00 2.11 H new ATOM 0 HA LYS A 116 -5.922 -4.542 8.951 1.00 32.23 H new ATOM 0 HB2 LYS A 116 -5.575 -3.655 6.066 1.00 72.40 H new ATOM 0 HB3 LYS A 116 -6.623 -4.978 6.538 1.00 72.40 H new ATOM 0 HG2 LYS A 116 -8.008 -3.510 7.880 1.00 23.45 H new ATOM 0 HG3 LYS A 116 -6.875 -2.184 7.704 1.00 23.45 H new ATOM 0 HD2 LYS A 116 -8.671 -1.738 6.198 1.00 23.33 H new ATOM 0 HD3 LYS A 116 -7.310 -2.233 5.210 1.00 23.33 H new ATOM 0 HE2 LYS A 116 -8.237 -4.481 4.959 1.00 52.32 H new ATOM 0 HE3 LYS A 116 -9.528 -4.120 6.087 1.00 52.32 H new ATOM 0 HZ1 LYS A 116 -10.280 -3.940 3.810 1.00 1.34 H new ATOM 0 HZ2 LYS A 116 -10.346 -2.421 4.565 1.00 1.34 H new ATOM 0 HZ3 LYS A 116 -9.096 -2.771 3.472 1.00 1.34 H new ATOM 1782 N ALA A 117 -3.147 -5.330 7.485 1.00 64.53 N ATOM 1783 CA ALA A 117 -2.174 -6.412 7.337 1.00 42.22 C ATOM 1784 C ALA A 117 -1.810 -7.025 8.690 1.00 20.21 C ATOM 1785 O ALA A 117 -1.654 -8.238 8.809 1.00 12.42 O ATOM 1786 CB ALA A 117 -0.926 -5.899 6.635 1.00 43.40 C ATOM 0 H ALA A 117 -2.775 -4.404 7.274 1.00 64.53 H new ATOM 0 HA ALA A 117 -2.629 -7.195 6.730 1.00 42.22 H new ATOM 0 HB1 ALA A 117 -0.208 -6.712 6.530 1.00 43.40 H new ATOM 0 HB2 ALA A 117 -1.193 -5.521 5.648 1.00 43.40 H new ATOM 0 HB3 ALA A 117 -0.482 -5.096 7.223 1.00 43.40 H new ATOM 1792 N LEU A 118 -1.741 -6.177 9.715 1.00 61.03 N ATOM 1793 CA LEU A 118 -1.310 -6.585 11.050 1.00 4.22 C ATOM 1794 C LEU A 118 -2.487 -6.615 12.037 1.00 71.53 C ATOM 1795 O LEU A 118 -2.278 -6.555 13.249 1.00 30.02 O ATOM 1796 CB LEU A 118 -0.263 -5.591 11.553 1.00 61.33 C ATOM 1797 CG LEU A 118 0.931 -5.380 10.634 1.00 14.21 C ATOM 1798 CD1 LEU A 118 1.278 -3.919 10.582 1.00 33.15 C ATOM 1799 CD2 LEU A 118 2.124 -6.174 11.105 1.00 25.04 C ATOM 0 H LEU A 118 -1.982 -5.189 9.643 1.00 61.03 H new ATOM 0 HA LEU A 118 -0.894 -7.591 10.986 1.00 4.22 H new ATOM 0 HB2 LEU A 118 -0.749 -4.629 11.716 1.00 61.33 H new ATOM 0 HB3 LEU A 118 0.102 -5.932 12.522 1.00 61.33 H new ATOM 0 HG LEU A 118 0.663 -5.728 9.636 1.00 14.21 H new ATOM 0 HD11 LEU A 118 2.134 -3.771 9.923 1.00 33.15 H new ATOM 0 HD12 LEU A 118 0.426 -3.356 10.202 1.00 33.15 H new ATOM 0 HD13 LEU A 118 1.527 -3.568 11.584 1.00 33.15 H new ATOM 0 HD21 LEU A 118 2.963 -6.005 10.430 1.00 25.04 H new ATOM 0 HD22 LEU A 118 2.398 -5.857 12.111 1.00 25.04 H new ATOM 0 HD23 LEU A 118 1.874 -7.235 11.114 1.00 25.04 H new ATOM 1811 N LYS A 119 -3.716 -6.725 11.501 1.00 40.53 N ATOM 1812 CA LYS A 119 -4.964 -6.652 12.298 1.00 24.23 C ATOM 1813 C LYS A 119 -5.063 -7.752 13.371 1.00 62.24 C ATOM 1814 O LYS A 119 -5.554 -7.509 14.474 1.00 62.24 O ATOM 1815 CB LYS A 119 -6.199 -6.670 11.363 1.00 54.42 C ATOM 1816 CG LYS A 119 -6.326 -7.908 10.459 1.00 40.11 C ATOM 1817 CD LYS A 119 -7.436 -8.865 10.891 1.00 22.03 C ATOM 1818 CE LYS A 119 -8.821 -8.270 10.685 1.00 23.25 C ATOM 1819 NZ LYS A 119 -9.890 -9.284 10.876 1.00 22.12 N ATOM 0 H LYS A 119 -3.877 -6.867 10.504 1.00 40.53 H new ATOM 0 HA LYS A 119 -4.940 -5.707 12.840 1.00 24.23 H new ATOM 0 HB2 LYS A 119 -7.098 -6.595 11.975 1.00 54.42 H new ATOM 0 HB3 LYS A 119 -6.168 -5.782 10.732 1.00 54.42 H new ATOM 0 HG2 LYS A 119 -6.515 -7.583 9.436 1.00 40.11 H new ATOM 0 HG3 LYS A 119 -5.377 -8.444 10.454 1.00 40.11 H new ATOM 0 HD2 LYS A 119 -7.354 -9.793 10.325 1.00 22.03 H new ATOM 0 HD3 LYS A 119 -7.305 -9.120 11.943 1.00 22.03 H new ATOM 0 HE2 LYS A 119 -8.971 -7.447 11.384 1.00 23.25 H new ATOM 0 HE3 LYS A 119 -8.892 -7.852 9.681 1.00 23.25 H new ATOM 0 HZ1 LYS A 119 -10.819 -8.841 10.727 1.00 22.12 H new ATOM 0 HZ2 LYS A 119 -9.762 -10.057 10.192 1.00 22.12 H new ATOM 0 HZ3 LYS A 119 -9.839 -9.665 11.842 1.00 22.12 H new ATOM 1833 N ASP A 120 -4.606 -8.950 13.030 1.00 1.43 N ATOM 1834 CA ASP A 120 -4.506 -10.051 13.982 1.00 14.21 C ATOM 1835 C ASP A 120 -3.047 -10.415 14.247 1.00 23.43 C ATOM 1836 O ASP A 120 -2.759 -11.176 15.169 1.00 52.02 O ATOM 1837 CB ASP A 120 -5.291 -11.288 13.495 1.00 13.23 C ATOM 1838 CG ASP A 120 -5.082 -11.641 12.027 1.00 12.30 C ATOM 1839 OD1 ASP A 120 -3.965 -11.475 11.510 1.00 35.13 O ATOM 1840 OD2 ASP A 120 -6.057 -12.065 11.384 1.00 52.12 O ATOM 0 H ASP A 120 -4.295 -9.187 12.088 1.00 1.43 H new ATOM 0 HA ASP A 120 -4.952 -9.715 14.918 1.00 14.21 H new ATOM 0 HB2 ASP A 120 -5.005 -12.145 14.104 1.00 13.23 H new ATOM 0 HB3 ASP A 120 -6.354 -11.116 13.665 1.00 13.23 H new ATOM 1845 N ALA A 121 -2.148 -9.834 13.428 1.00 24.24 N ATOM 1846 CA ALA A 121 -0.704 -10.150 13.392 1.00 54.14 C ATOM 1847 C ALA A 121 -0.416 -11.644 13.123 1.00 2.25 C ATOM 1848 O ALA A 121 0.657 -12.139 13.452 1.00 11.05 O ATOM 1849 CB ALA A 121 -0.005 -9.668 14.660 1.00 12.53 C ATOM 0 H ALA A 121 -2.412 -9.114 12.756 1.00 24.24 H new ATOM 0 HA ALA A 121 -0.290 -9.605 12.543 1.00 54.14 H new ATOM 0 HB1 ALA A 121 1.056 -9.913 14.607 1.00 12.53 H new ATOM 0 HB2 ALA A 121 -0.123 -8.588 14.753 1.00 12.53 H new ATOM 0 HB3 ALA A 121 -0.447 -10.157 15.528 1.00 12.53 H new ATOM 1855 N GLU A 122 -1.352 -12.325 12.460 1.00 11.10 N ATOM 1856 CA GLU A 122 -1.217 -13.745 12.132 1.00 63.24 C ATOM 1857 C GLU A 122 -1.278 -13.972 10.621 1.00 25.42 C ATOM 1858 O GLU A 122 -0.996 -15.077 10.143 1.00 63.23 O ATOM 1859 CB GLU A 122 -2.317 -14.573 12.812 1.00 22.51 C ATOM 1860 CG GLU A 122 -2.276 -14.557 14.335 1.00 61.00 C ATOM 1861 CD GLU A 122 -0.938 -14.991 14.910 1.00 22.41 C ATOM 1862 OE1 GLU A 122 -0.508 -16.133 14.641 1.00 40.35 O ATOM 1863 OE2 GLU A 122 -0.315 -14.187 15.641 1.00 41.23 O ATOM 0 H GLU A 122 -2.224 -11.908 12.135 1.00 11.10 H new ATOM 0 HA GLU A 122 -0.244 -14.069 12.500 1.00 63.24 H new ATOM 0 HB2 GLU A 122 -3.288 -14.201 12.484 1.00 22.51 H new ATOM 0 HB3 GLU A 122 -2.239 -15.605 12.471 1.00 22.51 H new ATOM 0 HG2 GLU A 122 -2.504 -13.551 14.686 1.00 61.00 H new ATOM 0 HG3 GLU A 122 -3.057 -15.213 14.719 1.00 61.00 H new ATOM 1870 N LYS A 123 -1.675 -12.932 9.882 1.00 63.41 N ATOM 1871 CA LYS A 123 -1.772 -12.986 8.420 1.00 53.45 C ATOM 1872 C LYS A 123 -0.396 -13.104 7.785 1.00 3.11 C ATOM 1873 O LYS A 123 0.409 -12.177 7.849 1.00 45.32 O ATOM 1874 CB LYS A 123 -2.486 -11.744 7.891 1.00 52.44 C ATOM 1875 CG LYS A 123 -3.944 -11.653 8.313 1.00 21.31 C ATOM 1876 CD LYS A 123 -4.565 -10.323 7.926 1.00 62.11 C ATOM 1877 CE LYS A 123 -4.611 -10.159 6.423 1.00 50.23 C ATOM 1878 NZ LYS A 123 -5.177 -8.858 6.014 1.00 41.41 N ATOM 0 H LYS A 123 -1.938 -12.030 10.279 1.00 63.41 H new ATOM 0 HA LYS A 123 -2.349 -13.871 8.153 1.00 53.45 H new ATOM 0 HB2 LYS A 123 -1.959 -10.856 8.241 1.00 52.44 H new ATOM 0 HB3 LYS A 123 -2.431 -11.740 6.802 1.00 52.44 H new ATOM 0 HG2 LYS A 123 -4.507 -12.464 7.851 1.00 21.31 H new ATOM 0 HG3 LYS A 123 -4.018 -11.788 9.392 1.00 21.31 H new ATOM 0 HD2 LYS A 123 -5.574 -10.257 8.333 1.00 62.11 H new ATOM 0 HD3 LYS A 123 -3.990 -9.508 8.366 1.00 62.11 H new ATOM 0 HE2 LYS A 123 -3.603 -10.257 6.019 1.00 50.23 H new ATOM 0 HE3 LYS A 123 -5.207 -10.963 5.991 1.00 50.23 H new ATOM 0 HZ1 LYS A 123 -4.706 -8.532 5.146 1.00 41.41 H new ATOM 0 HZ2 LYS A 123 -6.196 -8.963 5.837 1.00 41.41 H new ATOM 0 HZ3 LYS A 123 -5.028 -8.161 6.771 1.00 41.41 H new