USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 854 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 46 THR OG1 : rot 70:sc= -0.148 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.0743 X(o=-0.073,f=-0.22) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -163:sc= 0.584 (180deg=-0.0712) USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 0.536 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0.658 (180deg=0.658) USER MOD Single : A 7 HIS : no HE2:sc= 0.221 K(o=0.22,f=-0.94) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0215 K(o=0.021,f=-4.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -73:sc= 1.04 USER MOD Single : A 26 THR OG1 : rot 1:sc= 0.207 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= -0.591 (180deg=-2.65!) USER MOD Single : A 40 SER OG : rot 31:sc= 0.245 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 53:sc= 0.0284 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.131 K(o=-0.13,f=-0.99) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -138:sc=-0.00996 (180deg=-2.16) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.2) USER MOD Single : A 92 THR OG1 : rot -104:sc= 0.115 USER MOD Single : A 95 TYR OH : rot -152:sc= 0.0347 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 77:sc= 0.266 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= -0.012 (180deg=-0.149) USER MOD Single : A 117 SER OG : rot 70:sc= 0.632 USER MOD Single : A 118 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.073 18.015 -4.134 1.00 50.22 N ATOM 43 CA LYS A 3 -1.388 16.815 -3.312 1.00 52.35 C ATOM 44 C LYS A 3 -0.780 16.893 -1.898 1.00 4.32 C ATOM 45 O LYS A 3 0.353 17.343 -1.717 1.00 11.14 O ATOM 46 CB LYS A 3 -0.896 15.543 -4.032 1.00 24.32 C ATOM 47 CG LYS A 3 -1.581 15.297 -5.390 1.00 45.01 C ATOM 48 CD LYS A 3 -3.018 14.750 -5.268 1.00 32.34 C ATOM 49 CE LYS A 3 -3.627 14.382 -6.633 1.00 55.03 C ATOM 50 NZ LYS A 3 -3.585 15.517 -7.596 1.00 54.40 N ATOM 0 HA LYS A 3 -2.471 16.777 -3.193 1.00 52.35 H new ATOM 0 HB2 LYS A 3 0.181 15.616 -4.186 1.00 24.32 H new ATOM 0 HB3 LYS A 3 -1.068 14.681 -3.387 1.00 24.32 H new ATOM 0 HG2 LYS A 3 -1.604 16.232 -5.950 1.00 45.01 H new ATOM 0 HG3 LYS A 3 -0.981 14.593 -5.968 1.00 45.01 H new ATOM 0 HD2 LYS A 3 -3.015 13.869 -4.626 1.00 32.34 H new ATOM 0 HD3 LYS A 3 -3.647 15.496 -4.782 1.00 32.34 H new ATOM 0 HE2 LYS A 3 -3.087 13.533 -7.052 1.00 55.03 H new ATOM 0 HE3 LYS A 3 -4.661 14.065 -6.493 1.00 55.03 H new ATOM 0 HZ1 LYS A 3 -4.006 15.221 -8.500 1.00 54.40 H new ATOM 0 HZ2 LYS A 3 -4.122 16.320 -7.210 1.00 54.40 H new ATOM 0 HZ3 LYS A 3 -2.598 15.804 -7.751 1.00 54.40 H new ATOM 64 N GLU A 4 -1.565 16.449 -0.907 1.00 55.52 N ATOM 65 CA GLU A 4 -1.130 16.351 0.499 1.00 35.25 C ATOM 66 C GLU A 4 -0.796 14.885 0.847 1.00 24.42 C ATOM 67 O GLU A 4 -1.669 14.012 0.794 1.00 2.22 O ATOM 68 CB GLU A 4 -2.235 16.880 1.451 1.00 52.51 C ATOM 69 CG GLU A 4 -1.850 16.829 2.944 1.00 51.34 C ATOM 70 CD GLU A 4 -2.985 17.254 3.897 1.00 22.50 C ATOM 71 OE1 GLU A 4 -3.845 16.410 4.226 1.00 15.23 O ATOM 72 OE2 GLU A 4 -3.015 18.426 4.329 1.00 31.11 O ATOM 0 H GLU A 4 -2.527 16.145 -1.056 1.00 55.52 H new ATOM 0 HA GLU A 4 -0.238 16.963 0.628 1.00 35.25 H new ATOM 0 HB2 GLU A 4 -2.471 17.910 1.182 1.00 52.51 H new ATOM 0 HB3 GLU A 4 -3.142 16.295 1.299 1.00 52.51 H new ATOM 0 HG2 GLU A 4 -1.539 15.815 3.194 1.00 51.34 H new ATOM 0 HG3 GLU A 4 -0.989 17.476 3.109 1.00 51.34 H new ATOM 79 N LYS A 5 0.474 14.628 1.182 1.00 62.12 N ATOM 80 CA LYS A 5 0.946 13.303 1.618 1.00 31.45 C ATOM 81 C LYS A 5 0.450 13.002 3.067 1.00 54.11 C ATOM 82 O LYS A 5 0.589 13.834 3.972 1.00 64.12 O ATOM 83 CB LYS A 5 2.501 13.272 1.473 1.00 1.23 C ATOM 84 CG LYS A 5 3.223 11.953 1.871 1.00 25.03 C ATOM 85 CD LYS A 5 3.636 11.881 3.370 1.00 31.51 C ATOM 86 CE LYS A 5 4.625 12.985 3.780 1.00 52.41 C ATOM 87 NZ LYS A 5 5.853 12.986 2.939 1.00 55.22 N ATOM 0 H LYS A 5 1.209 15.335 1.159 1.00 62.12 H new ATOM 0 HA LYS A 5 0.533 12.509 0.995 1.00 31.45 H new ATOM 0 HB2 LYS A 5 2.749 13.493 0.435 1.00 1.23 H new ATOM 0 HB3 LYS A 5 2.913 14.079 2.078 1.00 1.23 H new ATOM 0 HG2 LYS A 5 2.569 11.111 1.645 1.00 25.03 H new ATOM 0 HG3 LYS A 5 4.114 11.839 1.254 1.00 25.03 H new ATOM 0 HD2 LYS A 5 2.743 11.954 3.990 1.00 31.51 H new ATOM 0 HD3 LYS A 5 4.084 10.908 3.570 1.00 31.51 H new ATOM 0 HE2 LYS A 5 4.135 13.955 3.704 1.00 52.41 H new ATOM 0 HE3 LYS A 5 4.904 12.850 4.825 1.00 52.41 H new ATOM 0 HZ1 LYS A 5 6.599 13.533 3.415 1.00 55.22 H new ATOM 0 HZ2 LYS A 5 6.177 12.008 2.797 1.00 55.22 H new ATOM 0 HZ3 LYS A 5 5.642 13.418 2.017 1.00 55.22 H new ATOM 101 N ILE A 6 -0.096 11.785 3.268 1.00 74.21 N ATOM 102 CA ILE A 6 -0.762 11.349 4.531 1.00 43.34 C ATOM 103 C ILE A 6 -0.464 9.844 4.765 1.00 51.43 C ATOM 104 O ILE A 6 -0.310 9.089 3.805 1.00 72.15 O ATOM 105 CB ILE A 6 -2.345 11.575 4.522 1.00 15.25 C ATOM 106 CG1 ILE A 6 -3.047 10.657 3.458 1.00 14.22 C ATOM 107 CG2 ILE A 6 -2.722 13.068 4.322 1.00 3.21 C ATOM 108 CD1 ILE A 6 -4.537 10.909 3.242 1.00 70.14 C ATOM 0 H ILE A 6 -0.091 11.060 2.551 1.00 74.21 H new ATOM 0 HA ILE A 6 -0.358 11.964 5.335 1.00 43.34 H new ATOM 0 HB ILE A 6 -2.714 11.285 5.506 1.00 15.25 H new ATOM 0 HG12 ILE A 6 -2.535 10.782 2.504 1.00 14.22 H new ATOM 0 HG13 ILE A 6 -2.913 9.618 3.758 1.00 14.22 H new ATOM 0 HG21 ILE A 6 -3.807 13.173 4.323 1.00 3.21 H new ATOM 0 HG22 ILE A 6 -2.300 13.662 5.133 1.00 3.21 H new ATOM 0 HG23 ILE A 6 -2.324 13.419 3.370 1.00 3.21 H new ATOM 0 HD11 ILE A 6 -4.917 10.220 2.488 1.00 70.14 H new ATOM 0 HD12 ILE A 6 -5.072 10.753 4.179 1.00 70.14 H new ATOM 0 HD13 ILE A 6 -4.687 11.935 2.905 1.00 70.14 H new ATOM 120 N HIS A 7 -0.347 9.420 6.036 1.00 55.42 N ATOM 121 CA HIS A 7 -0.186 7.983 6.394 1.00 13.21 C ATOM 122 C HIS A 7 -1.362 7.480 7.270 1.00 23.40 C ATOM 123 O HIS A 7 -1.727 8.106 8.271 1.00 55.14 O ATOM 124 CB HIS A 7 1.176 7.739 7.092 1.00 54.32 C ATOM 125 CG HIS A 7 1.399 8.559 8.333 1.00 63.24 C ATOM 126 ND1 HIS A 7 1.000 8.150 9.582 1.00 51.24 N ATOM 127 CD2 HIS A 7 1.978 9.770 8.509 1.00 35.44 C ATOM 128 CE1 HIS A 7 1.317 9.063 10.468 1.00 71.53 C ATOM 129 NE2 HIS A 7 1.914 10.056 9.848 1.00 24.02 N ATOM 0 H HIS A 7 -0.360 10.047 6.840 1.00 55.42 H new ATOM 0 HA HIS A 7 -0.201 7.407 5.469 1.00 13.21 H new ATOM 0 HB2 HIS A 7 1.252 6.683 7.351 1.00 54.32 H new ATOM 0 HB3 HIS A 7 1.976 7.952 6.383 1.00 54.32 H new ATOM 0 HD1 HIS A 7 0.529 7.269 9.789 1.00 51.24 H new ATOM 0 HD2 HIS A 7 2.409 10.393 7.739 1.00 35.44 H new ATOM 0 HE1 HIS A 7 1.121 9.008 11.529 1.00 71.53 H new ATOM 138 N LEU A 8 -1.963 6.349 6.855 1.00 52.52 N ATOM 139 CA LEU A 8 -3.087 5.705 7.562 1.00 41.22 C ATOM 140 C LEU A 8 -2.580 4.404 8.235 1.00 63.23 C ATOM 141 O LEU A 8 -2.019 3.543 7.554 1.00 42.51 O ATOM 142 CB LEU A 8 -4.263 5.381 6.583 1.00 74.51 C ATOM 143 CG LEU A 8 -4.914 6.578 5.800 1.00 1.00 C ATOM 144 CD1 LEU A 8 -5.322 7.727 6.745 1.00 44.12 C ATOM 145 CD2 LEU A 8 -4.014 7.078 4.643 1.00 15.42 C ATOM 0 H LEU A 8 -1.679 5.851 6.011 1.00 52.52 H new ATOM 0 HA LEU A 8 -3.467 6.393 8.318 1.00 41.22 H new ATOM 0 HB2 LEU A 8 -3.901 4.659 5.851 1.00 74.51 H new ATOM 0 HB3 LEU A 8 -5.049 4.888 7.155 1.00 74.51 H new ATOM 0 HG LEU A 8 -5.828 6.195 5.345 1.00 1.00 H new ATOM 0 HD11 LEU A 8 -5.768 8.535 6.164 1.00 44.12 H new ATOM 0 HD12 LEU A 8 -6.046 7.360 7.472 1.00 44.12 H new ATOM 0 HD13 LEU A 8 -4.440 8.099 7.267 1.00 44.12 H new ATOM 0 HD21 LEU A 8 -4.506 7.905 4.131 1.00 15.42 H new ATOM 0 HD22 LEU A 8 -3.059 7.416 5.045 1.00 15.42 H new ATOM 0 HD23 LEU A 8 -3.843 6.265 3.937 1.00 15.42 H new ATOM 157 N GLU A 9 -2.771 4.274 9.562 1.00 21.43 N ATOM 158 CA GLU A 9 -2.271 3.113 10.349 1.00 32.24 C ATOM 159 C GLU A 9 -3.382 2.051 10.585 1.00 54.51 C ATOM 160 O GLU A 9 -4.284 2.262 11.387 1.00 4.21 O ATOM 161 CB GLU A 9 -1.724 3.618 11.710 1.00 61.31 C ATOM 162 CG GLU A 9 -1.207 2.518 12.656 1.00 0.31 C ATOM 163 CD GLU A 9 -0.852 3.059 14.052 1.00 63.32 C ATOM 164 OE1 GLU A 9 0.285 3.542 14.250 1.00 43.40 O ATOM 165 OE2 GLU A 9 -1.725 3.040 14.948 1.00 25.54 O ATOM 0 H GLU A 9 -3.272 4.963 10.123 1.00 21.43 H new ATOM 0 HA GLU A 9 -1.476 2.632 9.779 1.00 32.24 H new ATOM 0 HB2 GLU A 9 -0.914 4.322 11.520 1.00 61.31 H new ATOM 0 HB3 GLU A 9 -2.514 4.171 12.219 1.00 61.31 H new ATOM 0 HG2 GLU A 9 -1.965 1.741 12.753 1.00 0.31 H new ATOM 0 HG3 GLU A 9 -0.326 2.050 12.217 1.00 0.31 H new ATOM 172 N TYR A 10 -3.247 0.872 9.957 1.00 74.22 N ATOM 173 CA TYR A 10 -4.283 -0.189 9.960 1.00 20.12 C ATOM 174 C TYR A 10 -3.933 -1.296 10.983 1.00 42.10 C ATOM 175 O TYR A 10 -2.792 -1.767 11.025 1.00 33.11 O ATOM 176 CB TYR A 10 -4.420 -0.804 8.543 1.00 23.14 C ATOM 177 CG TYR A 10 -4.856 0.184 7.446 1.00 63.03 C ATOM 178 CD1 TYR A 10 -6.209 0.391 7.151 1.00 40.21 C ATOM 179 CD2 TYR A 10 -3.916 0.900 6.700 1.00 54.42 C ATOM 180 CE1 TYR A 10 -6.601 1.276 6.160 1.00 12.12 C ATOM 181 CE2 TYR A 10 -4.305 1.784 5.711 1.00 25.03 C ATOM 182 CZ TYR A 10 -5.650 1.970 5.443 1.00 44.10 C ATOM 183 OH TYR A 10 -6.044 2.858 4.461 1.00 31.10 O ATOM 0 H TYR A 10 -2.412 0.620 9.427 1.00 74.22 H new ATOM 0 HA TYR A 10 -5.233 0.261 10.249 1.00 20.12 H new ATOM 0 HB2 TYR A 10 -3.463 -1.241 8.258 1.00 23.14 H new ATOM 0 HB3 TYR A 10 -5.142 -1.619 8.585 1.00 23.14 H new ATOM 0 HD1 TYR A 10 -6.961 -0.149 7.707 1.00 40.21 H new ATOM 0 HD2 TYR A 10 -2.864 0.760 6.900 1.00 54.42 H new ATOM 0 HE1 TYR A 10 -7.650 1.422 5.949 1.00 12.12 H new ATOM 0 HE2 TYR A 10 -3.561 2.328 5.149 1.00 25.03 H new ATOM 0 HH TYR A 10 -5.252 3.265 4.051 1.00 31.10 H new ATOM 193 N LEU A 11 -4.929 -1.710 11.794 1.00 64.12 N ATOM 194 CA LEU A 11 -4.746 -2.723 12.858 1.00 51.24 C ATOM 195 C LEU A 11 -5.073 -4.137 12.324 1.00 30.15 C ATOM 196 O LEU A 11 -6.248 -4.496 12.171 1.00 4.33 O ATOM 197 CB LEU A 11 -5.646 -2.402 14.098 1.00 64.52 C ATOM 198 CG LEU A 11 -5.349 -1.075 14.886 1.00 13.44 C ATOM 199 CD1 LEU A 11 -5.749 0.197 14.092 1.00 54.44 C ATOM 200 CD2 LEU A 11 -6.028 -1.089 16.280 1.00 22.13 C ATOM 0 H LEU A 11 -5.882 -1.353 11.731 1.00 64.12 H new ATOM 0 HA LEU A 11 -3.702 -2.694 13.170 1.00 51.24 H new ATOM 0 HB2 LEU A 11 -6.682 -2.369 13.762 1.00 64.52 H new ATOM 0 HB3 LEU A 11 -5.564 -3.234 14.797 1.00 64.52 H new ATOM 0 HG LEU A 11 -4.269 -1.034 15.025 1.00 13.44 H new ATOM 0 HD11 LEU A 11 -5.521 1.083 14.685 1.00 54.44 H new ATOM 0 HD12 LEU A 11 -5.190 0.233 13.157 1.00 54.44 H new ATOM 0 HD13 LEU A 11 -6.817 0.170 13.876 1.00 54.44 H new ATOM 0 HD21 LEU A 11 -5.805 -0.159 16.803 1.00 22.13 H new ATOM 0 HD22 LEU A 11 -7.107 -1.188 16.158 1.00 22.13 H new ATOM 0 HD23 LEU A 11 -5.650 -1.931 16.860 1.00 22.13 H new ATOM 212 N LEU A 12 -4.023 -4.926 12.016 1.00 74.34 N ATOM 213 CA LEU A 12 -4.163 -6.338 11.560 1.00 31.44 C ATOM 214 C LEU A 12 -3.327 -7.276 12.447 1.00 43.25 C ATOM 215 O LEU A 12 -2.133 -7.046 12.644 1.00 33.12 O ATOM 216 CB LEU A 12 -3.731 -6.528 10.066 1.00 45.20 C ATOM 217 CG LEU A 12 -4.711 -6.015 8.960 1.00 25.45 C ATOM 218 CD1 LEU A 12 -6.137 -6.533 9.200 1.00 35.20 C ATOM 219 CD2 LEU A 12 -4.668 -4.482 8.806 1.00 11.53 C ATOM 0 H LEU A 12 -3.055 -4.610 12.074 1.00 74.34 H new ATOM 0 HA LEU A 12 -5.221 -6.588 11.642 1.00 31.44 H new ATOM 0 HB2 LEU A 12 -2.774 -6.026 9.926 1.00 45.20 H new ATOM 0 HB3 LEU A 12 -3.561 -7.591 9.898 1.00 45.20 H new ATOM 0 HG LEU A 12 -4.370 -6.425 8.009 1.00 25.45 H new ATOM 0 HD11 LEU A 12 -6.796 -6.160 8.416 1.00 35.20 H new ATOM 0 HD12 LEU A 12 -6.135 -7.623 9.185 1.00 35.20 H new ATOM 0 HD13 LEU A 12 -6.493 -6.184 10.169 1.00 35.20 H new ATOM 0 HD21 LEU A 12 -5.365 -4.175 8.027 1.00 11.53 H new ATOM 0 HD22 LEU A 12 -4.949 -4.014 9.749 1.00 11.53 H new ATOM 0 HD23 LEU A 12 -3.659 -4.172 8.533 1.00 11.53 H new ATOM 231 N ASN A 13 -3.957 -8.352 12.950 1.00 22.40 N ATOM 232 CA ASN A 13 -3.270 -9.377 13.766 1.00 41.44 C ATOM 233 C ASN A 13 -3.658 -10.802 13.311 1.00 42.25 C ATOM 234 O ASN A 13 -4.746 -11.005 12.750 1.00 63.45 O ATOM 235 CB ASN A 13 -3.572 -9.174 15.275 1.00 61.34 C ATOM 236 CG ASN A 13 -5.062 -9.217 15.605 1.00 42.14 C ATOM 237 OD1 ASN A 13 -5.606 -10.266 15.929 1.00 1.33 O ATOM 238 ND2 ASN A 13 -5.729 -8.080 15.525 1.00 61.43 N ATOM 0 H ASN A 13 -4.949 -8.538 12.806 1.00 22.40 H new ATOM 0 HA ASN A 13 -2.196 -9.261 13.617 1.00 41.44 H new ATOM 0 HB2 ASN A 13 -3.058 -9.946 15.848 1.00 61.34 H new ATOM 0 HB3 ASN A 13 -3.164 -8.215 15.594 1.00 61.34 H new ATOM 0 HD21 ASN A 13 -6.727 -8.058 15.736 1.00 61.43 H new ATOM 0 HD22 ASN A 13 -5.246 -7.224 15.252 1.00 61.43 H new ATOM 280 N LYS A 17 0.598 -10.889 8.382 1.00 30.44 N ATOM 281 CA LYS A 17 1.390 -9.858 9.084 1.00 64.35 C ATOM 282 C LYS A 17 2.005 -8.850 8.077 1.00 2.21 C ATOM 283 O LYS A 17 1.371 -7.852 7.734 1.00 13.11 O ATOM 284 CB LYS A 17 2.474 -10.561 9.945 1.00 34.22 C ATOM 285 CG LYS A 17 1.914 -11.455 11.068 1.00 61.13 C ATOM 286 CD LYS A 17 3.025 -12.209 11.831 1.00 74.42 C ATOM 287 CE LYS A 17 2.480 -13.062 12.986 1.00 64.25 C ATOM 288 NZ LYS A 17 3.550 -13.857 13.641 1.00 14.43 N ATOM 0 HA LYS A 17 0.744 -9.278 9.743 1.00 64.35 H new ATOM 0 HB2 LYS A 17 3.101 -11.168 9.293 1.00 34.22 H new ATOM 0 HB3 LYS A 17 3.117 -9.801 10.389 1.00 34.22 H new ATOM 0 HG2 LYS A 17 1.348 -10.841 11.769 1.00 61.13 H new ATOM 0 HG3 LYS A 17 1.217 -12.176 10.641 1.00 61.13 H new ATOM 0 HD2 LYS A 17 3.566 -12.851 11.135 1.00 74.42 H new ATOM 0 HD3 LYS A 17 3.742 -11.489 12.224 1.00 74.42 H new ATOM 0 HE2 LYS A 17 2.006 -12.414 13.723 1.00 64.25 H new ATOM 0 HE3 LYS A 17 1.708 -13.733 12.609 1.00 64.25 H new ATOM 0 HZ1 LYS A 17 3.141 -14.419 14.415 1.00 14.43 H new ATOM 0 HZ2 LYS A 17 3.986 -14.494 12.944 1.00 14.43 H new ATOM 0 HZ3 LYS A 17 4.274 -13.216 14.024 1.00 14.43 H new ATOM 302 N ASN A 18 3.247 -9.100 7.609 1.00 72.44 N ATOM 303 CA ASN A 18 3.854 -8.332 6.492 1.00 22.03 C ATOM 304 C ASN A 18 3.197 -8.714 5.137 1.00 33.22 C ATOM 305 O ASN A 18 3.101 -7.884 4.233 1.00 5.51 O ATOM 306 CB ASN A 18 5.400 -8.525 6.448 1.00 73.14 C ATOM 307 CG ASN A 18 5.853 -9.989 6.288 1.00 74.03 C ATOM 308 OD1 ASN A 18 5.212 -10.910 6.780 1.00 24.45 O ATOM 309 ND2 ASN A 18 6.963 -10.215 5.603 1.00 55.44 N ATOM 0 H ASN A 18 3.853 -9.829 7.986 1.00 72.44 H new ATOM 0 HA ASN A 18 3.663 -7.274 6.669 1.00 22.03 H new ATOM 0 HB2 ASN A 18 5.804 -7.940 5.622 1.00 73.14 H new ATOM 0 HB3 ASN A 18 5.831 -8.122 7.365 1.00 73.14 H new ATOM 0 HD21 ASN A 18 7.299 -11.170 5.477 1.00 55.44 H new ATOM 0 HD22 ASN A 18 7.482 -9.434 5.201 1.00 55.44 H new ATOM 316 N ILE A 19 2.712 -9.981 5.063 1.00 31.22 N ATOM 317 CA ILE A 19 2.148 -10.623 3.836 1.00 34.43 C ATOM 318 C ILE A 19 1.058 -9.747 3.145 1.00 5.54 C ATOM 319 O ILE A 19 0.931 -9.776 1.910 1.00 61.34 O ATOM 320 CB ILE A 19 1.537 -12.067 4.149 1.00 63.14 C ATOM 321 CG1 ILE A 19 2.572 -13.025 4.862 1.00 71.31 C ATOM 322 CG2 ILE A 19 0.983 -12.746 2.864 1.00 55.14 C ATOM 323 CD1 ILE A 19 2.633 -12.906 6.375 1.00 11.10 C ATOM 0 H ILE A 19 2.700 -10.603 5.871 1.00 31.22 H new ATOM 0 HA ILE A 19 2.989 -10.728 3.151 1.00 34.43 H new ATOM 0 HB ILE A 19 0.712 -11.898 4.841 1.00 63.14 H new ATOM 0 HG12 ILE A 19 2.325 -14.055 4.605 1.00 71.31 H new ATOM 0 HG13 ILE A 19 3.565 -12.825 4.458 1.00 71.31 H new ATOM 0 HG21 ILE A 19 0.576 -13.725 3.116 1.00 55.14 H new ATOM 0 HG22 ILE A 19 0.196 -12.126 2.435 1.00 55.14 H new ATOM 0 HG23 ILE A 19 1.788 -12.864 2.139 1.00 55.14 H new ATOM 0 HD11 ILE A 19 3.373 -13.605 6.765 1.00 11.10 H new ATOM 0 HD12 ILE A 19 2.914 -11.889 6.649 1.00 11.10 H new ATOM 0 HD13 ILE A 19 1.656 -13.138 6.798 1.00 11.10 H new ATOM 335 N LEU A 20 0.336 -8.941 3.965 1.00 34.14 N ATOM 336 CA LEU A 20 -0.780 -8.049 3.527 1.00 32.51 C ATOM 337 C LEU A 20 -0.451 -7.282 2.222 1.00 13.12 C ATOM 338 O LEU A 20 -1.086 -7.492 1.183 1.00 4.02 O ATOM 339 CB LEU A 20 -1.068 -7.017 4.660 1.00 22.53 C ATOM 340 CG LEU A 20 -1.620 -7.592 6.001 1.00 12.41 C ATOM 341 CD1 LEU A 20 -1.493 -6.557 7.140 1.00 2.44 C ATOM 342 CD2 LEU A 20 -3.085 -8.073 5.840 1.00 62.41 C ATOM 0 H LEU A 20 0.513 -8.889 4.968 1.00 34.14 H new ATOM 0 HA LEU A 20 -1.648 -8.677 3.328 1.00 32.51 H new ATOM 0 HB2 LEU A 20 -0.145 -6.479 4.874 1.00 22.53 H new ATOM 0 HB3 LEU A 20 -1.783 -6.286 4.282 1.00 22.53 H new ATOM 0 HG LEU A 20 -1.015 -8.458 6.270 1.00 12.41 H new ATOM 0 HD11 LEU A 20 -1.885 -6.983 8.064 1.00 2.44 H new ATOM 0 HD12 LEU A 20 -0.444 -6.294 7.278 1.00 2.44 H new ATOM 0 HD13 LEU A 20 -2.060 -5.662 6.884 1.00 2.44 H new ATOM 0 HD21 LEU A 20 -3.444 -8.469 6.790 1.00 62.41 H new ATOM 0 HD22 LEU A 20 -3.712 -7.235 5.536 1.00 62.41 H new ATOM 0 HD23 LEU A 20 -3.130 -8.854 5.081 1.00 62.41 H new ATOM 354 N TRP A 21 0.558 -6.404 2.299 1.00 75.22 N ATOM 355 CA TRP A 21 1.035 -5.620 1.148 1.00 44.32 C ATOM 356 C TRP A 21 2.338 -6.162 0.541 1.00 42.35 C ATOM 357 O TRP A 21 2.654 -5.807 -0.581 1.00 1.21 O ATOM 358 CB TRP A 21 1.189 -4.139 1.546 1.00 41.15 C ATOM 359 CG TRP A 21 -0.124 -3.382 1.599 1.00 53.32 C ATOM 360 CD1 TRP A 21 -1.037 -3.348 2.618 1.00 34.23 C ATOM 361 CD2 TRP A 21 -0.653 -2.540 0.562 1.00 54.35 C ATOM 362 NE1 TRP A 21 -2.085 -2.529 2.281 1.00 54.22 N ATOM 363 CE2 TRP A 21 -1.872 -2.024 1.021 1.00 44.50 C ATOM 364 CE3 TRP A 21 -0.201 -2.176 -0.712 1.00 13.32 C ATOM 365 CZ2 TRP A 21 -2.649 -1.155 0.254 1.00 23.11 C ATOM 366 CZ3 TRP A 21 -0.966 -1.316 -1.473 1.00 21.12 C ATOM 367 CH2 TRP A 21 -2.179 -0.812 -0.990 1.00 52.04 C ATOM 0 H TRP A 21 1.068 -6.216 3.162 1.00 75.22 H new ATOM 0 HA TRP A 21 0.280 -5.711 0.367 1.00 44.32 H new ATOM 0 HB2 TRP A 21 1.670 -4.083 2.522 1.00 41.15 H new ATOM 0 HB3 TRP A 21 1.853 -3.648 0.834 1.00 41.15 H new ATOM 0 HD1 TRP A 21 -0.946 -3.886 3.550 1.00 34.23 H new ATOM 0 HE1 TRP A 21 -2.892 -2.327 2.871 1.00 54.22 H new ATOM 0 HE3 TRP A 21 0.733 -2.563 -1.093 1.00 13.32 H new ATOM 0 HZ2 TRP A 21 -3.586 -0.766 0.625 1.00 23.11 H new ATOM 0 HZ3 TRP A 21 -0.624 -1.028 -2.456 1.00 21.12 H new ATOM 0 HH2 TRP A 21 -2.757 -0.140 -1.608 1.00 52.04 H new ATOM 378 N SER A 22 3.082 -7.030 1.271 1.00 14.51 N ATOM 379 CA SER A 22 4.397 -7.587 0.791 1.00 13.24 C ATOM 380 C SER A 22 4.296 -8.296 -0.588 1.00 1.44 C ATOM 381 O SER A 22 5.305 -8.499 -1.269 1.00 25.15 O ATOM 382 CB SER A 22 4.988 -8.564 1.830 1.00 25.04 C ATOM 383 OG SER A 22 6.243 -9.091 1.417 1.00 12.20 O ATOM 0 H SER A 22 2.805 -7.366 2.193 1.00 14.51 H new ATOM 0 HA SER A 22 5.058 -6.730 0.667 1.00 13.24 H new ATOM 0 HB2 SER A 22 5.108 -8.049 2.783 1.00 25.04 H new ATOM 0 HB3 SER A 22 4.288 -9.383 1.995 1.00 25.04 H new ATOM 0 HG SER A 22 6.583 -9.703 2.103 1.00 12.20 H new ATOM 389 N ALA A 23 3.063 -8.658 -0.978 1.00 24.34 N ATOM 390 CA ALA A 23 2.748 -9.225 -2.303 1.00 34.33 C ATOM 391 C ALA A 23 3.276 -8.340 -3.474 1.00 41.42 C ATOM 392 O ALA A 23 3.778 -8.863 -4.471 1.00 4.21 O ATOM 393 CB ALA A 23 1.229 -9.414 -2.408 1.00 52.35 C ATOM 0 H ALA A 23 2.245 -8.565 -0.376 1.00 24.34 H new ATOM 0 HA ALA A 23 3.256 -10.185 -2.395 1.00 34.33 H new ATOM 0 HB1 ALA A 23 0.981 -9.833 -3.383 1.00 52.35 H new ATOM 0 HB2 ALA A 23 0.892 -10.093 -1.625 1.00 52.35 H new ATOM 0 HB3 ALA A 23 0.733 -8.450 -2.290 1.00 52.35 H new ATOM 399 N ILE A 24 3.197 -6.999 -3.309 1.00 63.14 N ATOM 400 CA ILE A 24 3.607 -6.011 -4.351 1.00 3.31 C ATOM 401 C ILE A 24 5.144 -5.964 -4.587 1.00 13.12 C ATOM 402 O ILE A 24 5.600 -5.404 -5.587 1.00 2.40 O ATOM 403 CB ILE A 24 3.083 -4.558 -4.021 1.00 70.03 C ATOM 404 CG1 ILE A 24 3.788 -3.988 -2.743 1.00 14.43 C ATOM 405 CG2 ILE A 24 1.542 -4.557 -3.874 1.00 11.43 C ATOM 406 CD1 ILE A 24 3.208 -2.705 -2.178 1.00 21.45 C ATOM 0 H ILE A 24 2.849 -6.566 -2.454 1.00 63.14 H new ATOM 0 HA ILE A 24 3.142 -6.363 -5.272 1.00 3.31 H new ATOM 0 HB ILE A 24 3.336 -3.900 -4.852 1.00 70.03 H new ATOM 0 HG12 ILE A 24 3.757 -4.751 -1.965 1.00 14.43 H new ATOM 0 HG13 ILE A 24 4.838 -3.815 -2.978 1.00 14.43 H new ATOM 0 HG21 ILE A 24 1.199 -3.548 -3.647 1.00 11.43 H new ATOM 0 HG22 ILE A 24 1.087 -4.894 -4.806 1.00 11.43 H new ATOM 0 HG23 ILE A 24 1.253 -5.229 -3.066 1.00 11.43 H new ATOM 0 HD11 ILE A 24 3.776 -2.406 -1.297 1.00 21.45 H new ATOM 0 HD12 ILE A 24 3.265 -1.918 -2.930 1.00 21.45 H new ATOM 0 HD13 ILE A 24 2.166 -2.868 -1.901 1.00 21.45 H new ATOM 418 N SER A 25 5.932 -6.541 -3.661 1.00 20.11 N ATOM 419 CA SER A 25 7.410 -6.602 -3.802 1.00 43.42 C ATOM 420 C SER A 25 7.830 -7.725 -4.779 1.00 10.10 C ATOM 421 O SER A 25 8.926 -7.695 -5.347 1.00 15.22 O ATOM 422 CB SER A 25 8.080 -6.828 -2.420 1.00 44.34 C ATOM 423 OG SER A 25 7.999 -8.185 -1.999 1.00 64.41 O ATOM 0 H SER A 25 5.577 -6.972 -2.807 1.00 20.11 H new ATOM 0 HA SER A 25 7.745 -5.648 -4.208 1.00 43.42 H new ATOM 0 HB2 SER A 25 9.126 -6.527 -2.472 1.00 44.34 H new ATOM 0 HB3 SER A 25 7.601 -6.190 -1.677 1.00 44.34 H new ATOM 0 HG SER A 25 7.081 -8.387 -1.721 1.00 64.41 H new ATOM 429 N THR A 26 6.937 -8.719 -4.955 1.00 23.41 N ATOM 430 CA THR A 26 7.184 -9.916 -5.792 1.00 33.41 C ATOM 431 C THR A 26 6.230 -9.969 -7.011 1.00 12.21 C ATOM 432 O THR A 26 5.107 -9.472 -6.932 1.00 42.43 O ATOM 433 CB THR A 26 6.987 -11.231 -4.964 1.00 32.42 C ATOM 434 OG1 THR A 26 5.667 -11.269 -4.386 1.00 45.04 O ATOM 435 CG2 THR A 26 8.046 -11.385 -3.858 1.00 35.34 C ATOM 0 H THR A 26 6.016 -8.716 -4.518 1.00 23.41 H new ATOM 0 HA THR A 26 8.214 -9.842 -6.140 1.00 33.41 H new ATOM 0 HB THR A 26 7.106 -12.065 -5.655 1.00 32.42 H new ATOM 0 HG1 THR A 26 5.170 -10.468 -4.653 1.00 45.04 H new ATOM 0 HG21 THR A 26 7.869 -12.311 -3.311 1.00 35.34 H new ATOM 0 HG22 THR A 26 9.039 -11.413 -4.306 1.00 35.34 H new ATOM 0 HG23 THR A 26 7.981 -10.540 -3.172 1.00 35.34 H new ATOM 443 N PRO A 27 6.675 -10.575 -8.166 1.00 15.42 N ATOM 444 CA PRO A 27 5.793 -10.840 -9.337 1.00 43.20 C ATOM 445 C PRO A 27 4.517 -11.667 -8.973 1.00 11.41 C ATOM 446 O PRO A 27 3.406 -11.133 -8.996 1.00 1.42 O ATOM 447 CB PRO A 27 6.726 -11.612 -10.327 1.00 45.22 C ATOM 448 CG PRO A 27 7.878 -12.073 -9.480 1.00 12.45 C ATOM 449 CD PRO A 27 8.074 -10.994 -8.454 1.00 0.13 C ATOM 0 HA PRO A 27 5.387 -9.920 -9.757 1.00 43.20 H new ATOM 0 HB2 PRO A 27 6.208 -12.455 -10.784 1.00 45.22 H new ATOM 0 HB3 PRO A 27 7.064 -10.967 -11.138 1.00 45.22 H new ATOM 0 HG2 PRO A 27 7.660 -13.030 -9.007 1.00 12.45 H new ATOM 0 HG3 PRO A 27 8.777 -12.212 -10.081 1.00 12.45 H new ATOM 0 HD2 PRO A 27 8.579 -11.367 -7.563 1.00 0.13 H new ATOM 0 HD3 PRO A 27 8.674 -10.170 -8.839 1.00 0.13 H new ATOM 457 N THR A 28 4.704 -12.951 -8.592 1.00 11.22 N ATOM 458 CA THR A 28 3.593 -13.904 -8.297 1.00 31.01 C ATOM 459 C THR A 28 2.572 -13.366 -7.259 1.00 51.40 C ATOM 460 O THR A 28 1.372 -13.646 -7.355 1.00 63.23 O ATOM 461 CB THR A 28 4.157 -15.274 -7.794 1.00 71.25 C ATOM 462 OG1 THR A 28 4.900 -15.084 -6.575 1.00 54.01 O ATOM 463 CG2 THR A 28 5.067 -15.939 -8.843 1.00 44.12 C ATOM 0 H THR A 28 5.630 -13.363 -8.478 1.00 11.22 H new ATOM 0 HA THR A 28 3.062 -14.034 -9.240 1.00 31.01 H new ATOM 0 HB THR A 28 3.305 -15.931 -7.616 1.00 71.25 H new ATOM 0 HG1 THR A 28 5.248 -15.947 -6.266 1.00 54.01 H new ATOM 0 HG21 THR A 28 5.438 -16.887 -8.454 1.00 44.12 H new ATOM 0 HG22 THR A 28 4.499 -16.118 -9.756 1.00 44.12 H new ATOM 0 HG23 THR A 28 5.909 -15.283 -9.062 1.00 44.12 H new ATOM 471 N GLY A 29 3.071 -12.591 -6.284 1.00 64.21 N ATOM 472 CA GLY A 29 2.221 -11.959 -5.268 1.00 14.50 C ATOM 473 C GLY A 29 1.399 -10.774 -5.802 1.00 71.25 C ATOM 474 O GLY A 29 0.214 -10.648 -5.490 1.00 62.13 O ATOM 0 H GLY A 29 4.065 -12.387 -6.179 1.00 64.21 H new ATOM 0 HA2 GLY A 29 1.541 -12.707 -4.859 1.00 14.50 H new ATOM 0 HA3 GLY A 29 2.848 -11.614 -4.446 1.00 14.50 H new ATOM 478 N LEU A 30 2.041 -9.911 -6.612 1.00 32.45 N ATOM 479 CA LEU A 30 1.425 -8.659 -7.129 1.00 14.33 C ATOM 480 C LEU A 30 0.243 -8.987 -8.084 1.00 33.12 C ATOM 481 O LEU A 30 -0.854 -8.440 -7.947 1.00 1.42 O ATOM 482 CB LEU A 30 2.521 -7.794 -7.839 1.00 51.22 C ATOM 483 CG LEU A 30 2.343 -6.235 -7.828 1.00 70.20 C ATOM 484 CD1 LEU A 30 3.650 -5.518 -8.233 1.00 33.23 C ATOM 485 CD2 LEU A 30 1.192 -5.779 -8.728 1.00 74.32 C ATOM 0 H LEU A 30 2.999 -10.055 -6.930 1.00 32.45 H new ATOM 0 HA LEU A 30 1.018 -8.082 -6.299 1.00 14.33 H new ATOM 0 HB2 LEU A 30 3.481 -8.025 -7.377 1.00 51.22 H new ATOM 0 HB3 LEU A 30 2.581 -8.117 -8.878 1.00 51.22 H new ATOM 0 HG LEU A 30 2.095 -5.958 -6.803 1.00 70.20 H new ATOM 0 HD11 LEU A 30 3.494 -4.439 -8.216 1.00 33.23 H new ATOM 0 HD12 LEU A 30 4.442 -5.781 -7.532 1.00 33.23 H new ATOM 0 HD13 LEU A 30 3.938 -5.827 -9.238 1.00 33.23 H new ATOM 0 HD21 LEU A 30 1.107 -4.693 -8.688 1.00 74.32 H new ATOM 0 HD22 LEU A 30 1.387 -6.090 -9.754 1.00 74.32 H new ATOM 0 HD23 LEU A 30 0.261 -6.229 -8.383 1.00 74.32 H new ATOM 497 N GLU A 31 0.478 -9.918 -9.025 1.00 63.32 N ATOM 498 CA GLU A 31 -0.557 -10.378 -9.991 1.00 33.42 C ATOM 499 C GLU A 31 -1.675 -11.231 -9.329 1.00 1.22 C ATOM 500 O GLU A 31 -2.640 -11.608 -9.995 1.00 3.02 O ATOM 501 CB GLU A 31 0.108 -11.195 -11.120 1.00 3.04 C ATOM 502 CG GLU A 31 0.834 -12.472 -10.645 1.00 32.04 C ATOM 503 CD GLU A 31 1.497 -13.249 -11.788 1.00 62.41 C ATOM 504 OE1 GLU A 31 2.468 -12.731 -12.375 1.00 44.53 O ATOM 505 OE2 GLU A 31 1.051 -14.371 -12.113 1.00 23.02 O ATOM 0 H GLU A 31 1.382 -10.375 -9.144 1.00 63.32 H new ATOM 0 HA GLU A 31 -1.031 -9.482 -10.392 1.00 33.42 H new ATOM 0 HB2 GLU A 31 -0.655 -11.475 -11.846 1.00 3.04 H new ATOM 0 HB3 GLU A 31 0.824 -10.558 -11.639 1.00 3.04 H new ATOM 0 HG2 GLU A 31 1.593 -12.199 -9.911 1.00 32.04 H new ATOM 0 HG3 GLU A 31 0.120 -13.121 -10.139 1.00 32.04 H new ATOM 512 N ASP A 32 -1.528 -11.550 -8.031 1.00 70.21 N ATOM 513 CA ASP A 32 -2.518 -12.358 -7.298 1.00 43.24 C ATOM 514 C ASP A 32 -3.708 -11.495 -6.783 1.00 54.51 C ATOM 515 O ASP A 32 -4.778 -12.032 -6.458 1.00 31.22 O ATOM 516 CB ASP A 32 -1.816 -13.102 -6.133 1.00 34.13 C ATOM 517 CG ASP A 32 -2.657 -14.260 -5.579 1.00 54.35 C ATOM 518 OD1 ASP A 32 -2.884 -15.238 -6.334 1.00 5.32 O ATOM 519 OD2 ASP A 32 -3.094 -14.207 -4.411 1.00 22.41 O ATOM 0 H ASP A 32 -0.730 -11.259 -7.466 1.00 70.21 H new ATOM 0 HA ASP A 32 -2.942 -13.090 -7.985 1.00 43.24 H new ATOM 0 HB2 ASP A 32 -0.857 -13.488 -6.479 1.00 34.13 H new ATOM 0 HB3 ASP A 32 -1.605 -12.395 -5.331 1.00 34.13 H new ATOM 524 N TRP A 33 -3.529 -10.149 -6.737 1.00 32.12 N ATOM 525 CA TRP A 33 -4.571 -9.224 -6.207 1.00 22.31 C ATOM 526 C TRP A 33 -4.641 -7.858 -6.948 1.00 71.21 C ATOM 527 O TRP A 33 -5.505 -7.034 -6.627 1.00 52.32 O ATOM 528 CB TRP A 33 -4.367 -9.012 -4.675 1.00 53.11 C ATOM 529 CG TRP A 33 -3.121 -8.246 -4.261 1.00 52.44 C ATOM 530 CD1 TRP A 33 -1.856 -8.335 -4.784 1.00 21.13 C ATOM 531 CD2 TRP A 33 -3.033 -7.298 -3.184 1.00 3.00 C ATOM 532 NE1 TRP A 33 -1.005 -7.490 -4.121 1.00 4.33 N ATOM 533 CE2 TRP A 33 -1.701 -6.850 -3.123 1.00 32.33 C ATOM 534 CE3 TRP A 33 -3.958 -6.792 -2.264 1.00 4.41 C ATOM 535 CZ2 TRP A 33 -1.274 -5.913 -2.184 1.00 75.44 C ATOM 536 CZ3 TRP A 33 -3.533 -5.861 -1.335 1.00 11.53 C ATOM 537 CH2 TRP A 33 -2.199 -5.434 -1.297 1.00 74.31 C ATOM 0 H TRP A 33 -2.681 -9.681 -7.057 1.00 32.12 H new ATOM 0 HA TRP A 33 -5.531 -9.706 -6.391 1.00 22.31 H new ATOM 0 HB2 TRP A 33 -5.238 -8.486 -4.283 1.00 53.11 H new ATOM 0 HB3 TRP A 33 -4.343 -9.990 -4.195 1.00 53.11 H new ATOM 0 HD1 TRP A 33 -1.571 -8.980 -5.602 1.00 21.13 H new ATOM 0 HE1 TRP A 33 -0.016 -7.357 -4.333 1.00 4.33 H new ATOM 0 HE3 TRP A 33 -4.986 -7.123 -2.280 1.00 4.41 H new ATOM 0 HZ2 TRP A 33 -0.248 -5.576 -2.157 1.00 75.44 H new ATOM 0 HZ3 TRP A 33 -4.241 -5.456 -0.627 1.00 11.53 H new ATOM 0 HH2 TRP A 33 -1.895 -4.713 -0.553 1.00 74.31 H new ATOM 548 N PHE A 34 -3.751 -7.613 -7.934 1.00 54.13 N ATOM 549 CA PHE A 34 -3.712 -6.323 -8.682 1.00 32.14 C ATOM 550 C PHE A 34 -4.071 -6.522 -10.181 1.00 31.13 C ATOM 551 O PHE A 34 -5.177 -6.181 -10.609 1.00 74.44 O ATOM 552 CB PHE A 34 -2.314 -5.666 -8.518 1.00 21.32 C ATOM 553 CG PHE A 34 -2.165 -4.260 -9.117 1.00 13.11 C ATOM 554 CD1 PHE A 34 -2.634 -3.140 -8.430 1.00 11.52 C ATOM 555 CD2 PHE A 34 -1.543 -4.053 -10.357 1.00 0.30 C ATOM 556 CE1 PHE A 34 -2.487 -1.871 -8.956 1.00 12.01 C ATOM 557 CE2 PHE A 34 -1.399 -2.781 -10.879 1.00 14.31 C ATOM 558 CZ PHE A 34 -1.872 -1.692 -10.180 1.00 24.42 C ATOM 0 H PHE A 34 -3.047 -8.287 -8.236 1.00 54.13 H new ATOM 0 HA PHE A 34 -4.465 -5.655 -8.263 1.00 32.14 H new ATOM 0 HB2 PHE A 34 -2.079 -5.615 -7.455 1.00 21.32 H new ATOM 0 HB3 PHE A 34 -1.571 -6.317 -8.977 1.00 21.32 H new ATOM 0 HD1 PHE A 34 -3.119 -3.267 -7.473 1.00 11.52 H new ATOM 0 HD2 PHE A 34 -1.171 -4.901 -10.913 1.00 0.30 H new ATOM 0 HE1 PHE A 34 -2.854 -1.016 -8.408 1.00 12.01 H new ATOM 0 HE2 PHE A 34 -0.916 -2.641 -11.835 1.00 14.31 H new ATOM 0 HZ PHE A 34 -1.762 -0.698 -10.589 1.00 24.42 H new ATOM 568 N ALA A 35 -3.121 -7.075 -10.967 1.00 42.34 N ATOM 569 CA ALA A 35 -3.302 -7.320 -12.428 1.00 71.21 C ATOM 570 C ALA A 35 -3.557 -8.818 -12.712 1.00 61.43 C ATOM 571 O ALA A 35 -3.597 -9.628 -11.789 1.00 41.53 O ATOM 572 CB ALA A 35 -2.064 -6.816 -13.202 1.00 25.13 C ATOM 0 H ALA A 35 -2.209 -7.365 -10.615 1.00 42.34 H new ATOM 0 HA ALA A 35 -4.178 -6.767 -12.768 1.00 71.21 H new ATOM 0 HB1 ALA A 35 -2.202 -6.998 -14.268 1.00 25.13 H new ATOM 0 HB2 ALA A 35 -1.937 -5.747 -13.030 1.00 25.13 H new ATOM 0 HB3 ALA A 35 -1.177 -7.347 -12.856 1.00 25.13 H new ATOM 578 N ASP A 36 -3.753 -9.170 -13.997 1.00 75.32 N ATOM 579 CA ASP A 36 -3.863 -10.583 -14.440 1.00 13.20 C ATOM 580 C ASP A 36 -2.509 -11.300 -14.283 1.00 3.42 C ATOM 581 O ASP A 36 -2.392 -12.319 -13.598 1.00 10.43 O ATOM 582 CB ASP A 36 -4.333 -10.629 -15.914 1.00 22.03 C ATOM 583 CG ASP A 36 -5.752 -10.062 -16.085 1.00 11.10 C ATOM 584 OD1 ASP A 36 -5.913 -8.824 -16.111 1.00 54.31 O ATOM 585 OD2 ASP A 36 -6.720 -10.853 -16.143 1.00 31.44 O ATOM 0 H ASP A 36 -3.840 -8.493 -14.755 1.00 75.32 H new ATOM 0 HA ASP A 36 -4.595 -11.097 -13.818 1.00 13.20 H new ATOM 0 HB2 ASP A 36 -3.639 -10.061 -16.534 1.00 22.03 H new ATOM 0 HB3 ASP A 36 -4.309 -11.659 -16.270 1.00 22.03 H new ATOM 590 N LYS A 37 -1.499 -10.724 -14.929 1.00 34.22 N ATOM 591 CA LYS A 37 -0.104 -11.170 -14.857 1.00 51.54 C ATOM 592 C LYS A 37 0.793 -9.942 -14.662 1.00 35.42 C ATOM 593 O LYS A 37 0.468 -8.874 -15.148 1.00 1.55 O ATOM 594 CB LYS A 37 0.279 -11.908 -16.157 1.00 11.23 C ATOM 595 CG LYS A 37 1.738 -12.390 -16.194 1.00 60.01 C ATOM 596 CD LYS A 37 2.146 -13.067 -17.521 1.00 23.33 C ATOM 597 CE LYS A 37 1.529 -14.470 -17.733 1.00 43.34 C ATOM 598 NZ LYS A 37 0.074 -14.433 -18.050 1.00 50.50 N ATOM 0 H LYS A 37 -1.628 -9.913 -15.534 1.00 34.22 H new ATOM 0 HA LYS A 37 0.025 -11.856 -14.020 1.00 51.54 H new ATOM 0 HB2 LYS A 37 -0.380 -12.767 -16.283 1.00 11.23 H new ATOM 0 HB3 LYS A 37 0.104 -11.245 -17.004 1.00 11.23 H new ATOM 0 HG2 LYS A 37 2.395 -11.539 -16.016 1.00 60.01 H new ATOM 0 HG3 LYS A 37 1.898 -13.093 -15.376 1.00 60.01 H new ATOM 0 HD2 LYS A 37 1.851 -12.424 -18.350 1.00 23.33 H new ATOM 0 HD3 LYS A 37 3.232 -13.151 -17.554 1.00 23.33 H new ATOM 0 HE2 LYS A 37 2.057 -14.973 -18.543 1.00 43.34 H new ATOM 0 HE3 LYS A 37 1.683 -15.066 -16.834 1.00 43.34 H new ATOM 0 HZ1 LYS A 37 -0.129 -15.092 -18.829 1.00 50.50 H new ATOM 0 HZ2 LYS A 37 -0.472 -14.712 -17.210 1.00 50.50 H new ATOM 0 HZ3 LYS A 37 -0.195 -13.469 -18.333 1.00 50.50 H new ATOM 612 N VAL A 38 1.900 -10.067 -13.916 1.00 63.25 N ATOM 613 CA VAL A 38 2.924 -9.005 -13.844 1.00 73.24 C ATOM 614 C VAL A 38 4.329 -9.602 -14.111 1.00 15.44 C ATOM 615 O VAL A 38 4.778 -10.521 -13.420 1.00 51.23 O ATOM 616 CB VAL A 38 2.885 -8.202 -12.478 1.00 12.34 C ATOM 617 CG1 VAL A 38 1.502 -7.546 -12.233 1.00 53.32 C ATOM 618 CG2 VAL A 38 3.285 -9.071 -11.273 1.00 75.54 C ATOM 0 H VAL A 38 2.113 -10.891 -13.353 1.00 63.25 H new ATOM 0 HA VAL A 38 2.695 -8.278 -14.623 1.00 73.24 H new ATOM 0 HB VAL A 38 3.627 -7.410 -12.575 1.00 12.34 H new ATOM 0 HG11 VAL A 38 1.518 -7.006 -11.286 1.00 53.32 H new ATOM 0 HG12 VAL A 38 1.280 -6.852 -13.043 1.00 53.32 H new ATOM 0 HG13 VAL A 38 0.734 -8.319 -12.197 1.00 53.32 H new ATOM 0 HG21 VAL A 38 3.242 -8.473 -10.363 1.00 75.54 H new ATOM 0 HG22 VAL A 38 2.598 -9.913 -11.187 1.00 75.54 H new ATOM 0 HG23 VAL A 38 4.299 -9.444 -11.414 1.00 75.54 H new ATOM 628 N VAL A 39 5.000 -9.114 -15.160 1.00 60.14 N ATOM 629 CA VAL A 39 6.369 -9.544 -15.494 1.00 33.43 C ATOM 630 C VAL A 39 7.362 -8.514 -14.914 1.00 44.11 C ATOM 631 O VAL A 39 7.397 -7.361 -15.348 1.00 61.35 O ATOM 632 CB VAL A 39 6.533 -9.672 -17.057 1.00 42.45 C ATOM 633 CG1 VAL A 39 7.952 -10.160 -17.458 1.00 34.11 C ATOM 634 CG2 VAL A 39 5.429 -10.592 -17.655 1.00 10.23 C ATOM 0 H VAL A 39 4.617 -8.416 -15.798 1.00 60.14 H new ATOM 0 HA VAL A 39 6.572 -10.523 -15.060 1.00 33.43 H new ATOM 0 HB VAL A 39 6.412 -8.675 -17.479 1.00 42.45 H new ATOM 0 HG11 VAL A 39 8.018 -10.233 -18.544 1.00 34.11 H new ATOM 0 HG12 VAL A 39 8.696 -9.451 -17.096 1.00 34.11 H new ATOM 0 HG13 VAL A 39 8.138 -11.139 -17.016 1.00 34.11 H new ATOM 0 HG21 VAL A 39 5.562 -10.666 -18.734 1.00 10.23 H new ATOM 0 HG22 VAL A 39 5.503 -11.585 -17.212 1.00 10.23 H new ATOM 0 HG23 VAL A 39 4.447 -10.171 -17.438 1.00 10.23 H new ATOM 644 N SER A 40 8.167 -8.947 -13.931 1.00 21.15 N ATOM 645 CA SER A 40 9.080 -8.053 -13.182 1.00 25.14 C ATOM 646 C SER A 40 10.482 -8.037 -13.826 1.00 41.21 C ATOM 647 O SER A 40 11.154 -9.073 -13.909 1.00 33.14 O ATOM 648 CB SER A 40 9.167 -8.492 -11.699 1.00 21.14 C ATOM 649 OG SER A 40 9.655 -9.815 -11.569 1.00 14.21 O ATOM 0 H SER A 40 8.208 -9.921 -13.630 1.00 21.15 H new ATOM 0 HA SER A 40 8.678 -7.041 -13.222 1.00 25.14 H new ATOM 0 HB2 SER A 40 9.820 -7.809 -11.156 1.00 21.14 H new ATOM 0 HB3 SER A 40 8.180 -8.422 -11.241 1.00 21.14 H new ATOM 0 HG SER A 40 10.272 -10.010 -12.305 1.00 14.21 H new ATOM 655 N ASP A 41 10.896 -6.855 -14.312 1.00 70.33 N ATOM 656 CA ASP A 41 12.225 -6.631 -14.914 1.00 42.25 C ATOM 657 C ASP A 41 13.352 -6.758 -13.855 1.00 45.11 C ATOM 658 O ASP A 41 14.137 -7.713 -13.880 1.00 74.44 O ATOM 659 CB ASP A 41 12.235 -5.241 -15.605 1.00 32.11 C ATOM 660 CG ASP A 41 11.098 -5.096 -16.641 1.00 63.51 C ATOM 661 OD1 ASP A 41 11.286 -5.515 -17.805 1.00 20.04 O ATOM 662 OD2 ASP A 41 10.007 -4.579 -16.289 1.00 24.40 O ATOM 0 H ASP A 41 10.313 -6.018 -14.299 1.00 70.33 H new ATOM 0 HA ASP A 41 12.419 -7.399 -15.663 1.00 42.25 H new ATOM 0 HB2 ASP A 41 12.138 -4.461 -14.850 1.00 32.11 H new ATOM 0 HB3 ASP A 41 13.195 -5.089 -16.098 1.00 32.11 H new ATOM 667 N ASP A 42 13.403 -5.795 -12.916 1.00 0.44 N ATOM 668 CA ASP A 42 14.355 -5.818 -11.780 1.00 32.53 C ATOM 669 C ASP A 42 13.918 -4.802 -10.683 1.00 23.04 C ATOM 670 O ASP A 42 13.549 -5.193 -9.568 1.00 11.12 O ATOM 671 CB ASP A 42 15.825 -5.593 -12.272 1.00 75.33 C ATOM 672 CG ASP A 42 16.028 -4.306 -13.096 1.00 75.32 C ATOM 673 OD1 ASP A 42 15.727 -4.309 -14.310 1.00 44.41 O ATOM 674 OD2 ASP A 42 16.466 -3.280 -12.530 1.00 12.42 O ATOM 0 H ASP A 42 12.790 -4.980 -12.919 1.00 0.44 H new ATOM 0 HA ASP A 42 14.336 -6.807 -11.322 1.00 32.53 H new ATOM 0 HB2 ASP A 42 16.485 -5.564 -11.405 1.00 75.33 H new ATOM 0 HB3 ASP A 42 16.129 -6.448 -12.875 1.00 75.33 H new ATOM 679 N LYS A 43 13.937 -3.495 -11.016 1.00 74.11 N ATOM 680 CA LYS A 43 13.387 -2.408 -10.180 1.00 71.23 C ATOM 681 C LYS A 43 12.249 -1.708 -10.955 1.00 63.11 C ATOM 682 O LYS A 43 11.987 -0.513 -10.790 1.00 50.03 O ATOM 683 CB LYS A 43 14.508 -1.405 -9.792 1.00 41.11 C ATOM 684 CG LYS A 43 15.615 -2.011 -8.906 1.00 40.13 C ATOM 685 CD LYS A 43 16.659 -0.968 -8.457 1.00 61.04 C ATOM 686 CE LYS A 43 17.753 -1.584 -7.575 1.00 14.34 C ATOM 687 NZ LYS A 43 18.721 -0.569 -7.102 1.00 71.35 N ATOM 0 H LYS A 43 14.343 -3.159 -11.890 1.00 74.11 H new ATOM 0 HA LYS A 43 12.983 -2.819 -9.255 1.00 71.23 H new ATOM 0 HB2 LYS A 43 14.960 -1.012 -10.703 1.00 41.11 H new ATOM 0 HB3 LYS A 43 14.060 -0.560 -9.269 1.00 41.11 H new ATOM 0 HG2 LYS A 43 15.161 -2.466 -8.026 1.00 40.13 H new ATOM 0 HG3 LYS A 43 16.117 -2.808 -9.454 1.00 40.13 H new ATOM 0 HD2 LYS A 43 17.117 -0.513 -9.336 1.00 61.04 H new ATOM 0 HD3 LYS A 43 16.159 -0.170 -7.908 1.00 61.04 H new ATOM 0 HE2 LYS A 43 17.293 -2.074 -6.717 1.00 14.34 H new ATOM 0 HE3 LYS A 43 18.281 -2.354 -8.137 1.00 14.34 H new ATOM 0 HZ1 LYS A 43 19.443 -1.027 -6.510 1.00 71.35 H new ATOM 0 HZ2 LYS A 43 19.179 -0.118 -7.920 1.00 71.35 H new ATOM 0 HZ3 LYS A 43 18.222 0.153 -6.544 1.00 71.35 H new ATOM 701 N THR A 44 11.588 -2.503 -11.810 1.00 53.51 N ATOM 702 CA THR A 44 10.392 -2.113 -12.573 1.00 71.54 C ATOM 703 C THR A 44 9.493 -3.346 -12.743 1.00 43.42 C ATOM 704 O THR A 44 9.973 -4.419 -13.109 1.00 21.23 O ATOM 705 CB THR A 44 10.746 -1.522 -13.988 1.00 14.41 C ATOM 706 OG1 THR A 44 11.527 -0.326 -13.836 1.00 31.35 O ATOM 707 CG2 THR A 44 9.494 -1.200 -14.835 1.00 74.25 C ATOM 0 H THR A 44 11.879 -3.463 -11.995 1.00 53.51 H new ATOM 0 HA THR A 44 9.880 -1.328 -12.016 1.00 71.54 H new ATOM 0 HB THR A 44 11.313 -2.290 -14.515 1.00 14.41 H new ATOM 0 HG1 THR A 44 11.746 0.036 -14.720 1.00 31.35 H new ATOM 0 HG21 THR A 44 9.801 -0.796 -15.799 1.00 74.25 H new ATOM 0 HG22 THR A 44 8.916 -2.111 -14.991 1.00 74.25 H new ATOM 0 HG23 THR A 44 8.880 -0.466 -14.313 1.00 74.25 H new ATOM 715 N VAL A 45 8.202 -3.196 -12.431 1.00 15.10 N ATOM 716 CA VAL A 45 7.197 -4.255 -12.634 1.00 73.04 C ATOM 717 C VAL A 45 6.250 -3.866 -13.789 1.00 5.33 C ATOM 718 O VAL A 45 5.594 -2.817 -13.740 1.00 1.22 O ATOM 719 CB VAL A 45 6.366 -4.527 -11.324 1.00 62.12 C ATOM 720 CG1 VAL A 45 5.335 -5.662 -11.548 1.00 11.15 C ATOM 721 CG2 VAL A 45 7.295 -4.853 -10.125 1.00 31.14 C ATOM 0 H VAL A 45 7.820 -2.339 -12.031 1.00 15.10 H new ATOM 0 HA VAL A 45 7.726 -5.173 -12.889 1.00 73.04 H new ATOM 0 HB VAL A 45 5.820 -3.615 -11.083 1.00 62.12 H new ATOM 0 HG11 VAL A 45 4.774 -5.831 -10.629 1.00 11.15 H new ATOM 0 HG12 VAL A 45 4.648 -5.378 -12.345 1.00 11.15 H new ATOM 0 HG13 VAL A 45 5.857 -6.577 -11.828 1.00 11.15 H new ATOM 0 HG21 VAL A 45 6.691 -5.036 -9.236 1.00 31.14 H new ATOM 0 HG22 VAL A 45 7.884 -5.741 -10.352 1.00 31.14 H new ATOM 0 HG23 VAL A 45 7.963 -4.011 -9.943 1.00 31.14 H new ATOM 731 N THR A 46 6.194 -4.719 -14.821 1.00 3.21 N ATOM 732 CA THR A 46 5.295 -4.535 -15.973 1.00 13.13 C ATOM 733 C THR A 46 3.954 -5.240 -15.696 1.00 52.53 C ATOM 734 O THR A 46 3.891 -6.470 -15.674 1.00 33.40 O ATOM 735 CB THR A 46 5.931 -5.121 -17.285 1.00 4.15 C ATOM 736 OG1 THR A 46 7.233 -4.546 -17.492 1.00 43.04 O ATOM 737 CG2 THR A 46 5.047 -4.864 -18.531 1.00 52.43 C ATOM 0 H THR A 46 6.771 -5.558 -14.882 1.00 3.21 H new ATOM 0 HA THR A 46 5.133 -3.466 -16.115 1.00 13.13 H new ATOM 0 HB THR A 46 6.012 -6.200 -17.155 1.00 4.15 H new ATOM 0 HG1 THR A 46 7.853 -4.886 -16.813 1.00 43.04 H new ATOM 0 HG21 THR A 46 5.529 -5.287 -19.412 1.00 52.43 H new ATOM 0 HG22 THR A 46 4.073 -5.333 -18.389 1.00 52.43 H new ATOM 0 HG23 THR A 46 4.916 -3.791 -18.669 1.00 52.43 H new ATOM 745 N PHE A 47 2.889 -4.458 -15.489 1.00 0.32 N ATOM 746 CA PHE A 47 1.531 -4.993 -15.251 1.00 10.24 C ATOM 747 C PHE A 47 0.886 -5.339 -16.604 1.00 22.34 C ATOM 748 O PHE A 47 0.830 -4.494 -17.490 1.00 1.13 O ATOM 749 CB PHE A 47 0.634 -3.963 -14.513 1.00 15.54 C ATOM 750 CG PHE A 47 1.300 -3.212 -13.363 1.00 44.41 C ATOM 751 CD1 PHE A 47 1.873 -3.886 -12.286 1.00 22.14 C ATOM 752 CD2 PHE A 47 1.326 -1.818 -13.350 1.00 5.41 C ATOM 753 CE1 PHE A 47 2.451 -3.191 -11.239 1.00 63.10 C ATOM 754 CE2 PHE A 47 1.905 -1.127 -12.308 1.00 64.13 C ATOM 755 CZ PHE A 47 2.467 -1.813 -11.249 1.00 4.01 C ATOM 0 H PHE A 47 2.937 -3.439 -15.480 1.00 0.32 H new ATOM 0 HA PHE A 47 1.618 -5.881 -14.624 1.00 10.24 H new ATOM 0 HB2 PHE A 47 0.275 -3.234 -15.240 1.00 15.54 H new ATOM 0 HB3 PHE A 47 -0.242 -4.483 -14.125 1.00 15.54 H new ATOM 0 HD1 PHE A 47 1.866 -4.966 -12.269 1.00 22.14 H new ATOM 0 HD2 PHE A 47 0.885 -1.271 -14.170 1.00 5.41 H new ATOM 0 HE1 PHE A 47 2.891 -3.729 -10.412 1.00 63.10 H new ATOM 0 HE2 PHE A 47 1.919 -0.047 -12.319 1.00 64.13 H new ATOM 0 HZ PHE A 47 2.918 -1.271 -10.431 1.00 4.01 H new ATOM 765 N CYS A 48 0.408 -6.571 -16.738 1.00 34.33 N ATOM 766 CA CYS A 48 -0.172 -7.106 -17.984 1.00 52.45 C ATOM 767 C CYS A 48 -1.629 -7.538 -17.731 1.00 14.35 C ATOM 768 O CYS A 48 -1.887 -8.478 -16.972 1.00 44.50 O ATOM 769 CB CYS A 48 0.681 -8.300 -18.472 1.00 53.24 C ATOM 770 SG CYS A 48 2.441 -7.917 -18.643 1.00 63.23 S ATOM 0 H CYS A 48 0.409 -7.246 -15.974 1.00 34.33 H new ATOM 0 HA CYS A 48 -0.171 -6.337 -18.757 1.00 52.45 H new ATOM 0 HB2 CYS A 48 0.565 -9.128 -17.772 1.00 53.24 H new ATOM 0 HB3 CYS A 48 0.297 -8.640 -19.434 1.00 53.24 H new ATOM 0 HG CYS A 48 2.882 -7.400 -17.535 1.00 63.23 H new ATOM 776 N TRP A 49 -2.573 -6.819 -18.344 1.00 21.41 N ATOM 777 CA TRP A 49 -4.022 -7.107 -18.246 1.00 51.23 C ATOM 778 C TRP A 49 -4.545 -7.796 -19.529 1.00 45.03 C ATOM 779 O TRP A 49 -3.761 -8.261 -20.367 1.00 1.41 O ATOM 780 CB TRP A 49 -4.799 -5.788 -17.978 1.00 53.20 C ATOM 781 CG TRP A 49 -4.522 -5.171 -16.628 1.00 60.04 C ATOM 782 CD1 TRP A 49 -5.039 -5.569 -15.424 1.00 13.41 C ATOM 783 CD2 TRP A 49 -3.681 -4.042 -16.348 1.00 14.44 C ATOM 784 NE1 TRP A 49 -4.579 -4.756 -14.423 1.00 30.24 N ATOM 785 CE2 TRP A 49 -3.746 -3.812 -14.961 1.00 62.30 C ATOM 786 CE3 TRP A 49 -2.890 -3.203 -17.137 1.00 32.11 C ATOM 787 CZ2 TRP A 49 -3.045 -2.781 -14.346 1.00 62.23 C ATOM 788 CZ3 TRP A 49 -2.191 -2.178 -16.529 1.00 0.40 C ATOM 789 CH2 TRP A 49 -2.277 -1.971 -15.143 1.00 41.13 C ATOM 0 H TRP A 49 -2.360 -6.012 -18.930 1.00 21.41 H new ATOM 0 HA TRP A 49 -4.184 -7.794 -17.415 1.00 51.23 H new ATOM 0 HB2 TRP A 49 -4.546 -5.066 -18.754 1.00 53.20 H new ATOM 0 HB3 TRP A 49 -5.868 -5.985 -18.063 1.00 53.20 H new ATOM 0 HD1 TRP A 49 -5.711 -6.403 -15.284 1.00 13.41 H new ATOM 0 HE1 TRP A 49 -4.818 -4.840 -13.435 1.00 30.24 H new ATOM 0 HE3 TRP A 49 -2.826 -3.353 -18.205 1.00 32.11 H new ATOM 0 HZ2 TRP A 49 -3.103 -2.624 -13.279 1.00 62.23 H new ATOM 0 HZ3 TRP A 49 -1.570 -1.528 -17.128 1.00 0.40 H new ATOM 0 HH2 TRP A 49 -1.727 -1.157 -14.695 1.00 41.13 H new ATOM 800 N GLY A 50 -5.886 -7.900 -19.646 1.00 32.01 N ATOM 801 CA GLY A 50 -6.534 -8.338 -20.893 1.00 71.11 C ATOM 802 C GLY A 50 -6.355 -7.331 -22.038 1.00 24.01 C ATOM 803 O GLY A 50 -6.255 -6.119 -21.785 1.00 10.44 O ATOM 0 H GLY A 50 -6.537 -7.686 -18.891 1.00 32.01 H new ATOM 0 HA2 GLY A 50 -6.121 -9.301 -21.194 1.00 71.11 H new ATOM 0 HA3 GLY A 50 -7.598 -8.490 -20.711 1.00 71.11 H new ATOM 807 N LYS A 51 -6.310 -7.842 -23.292 1.00 32.43 N ATOM 808 CA LYS A 51 -6.151 -7.027 -24.528 1.00 4.02 C ATOM 809 C LYS A 51 -4.750 -6.310 -24.548 1.00 61.23 C ATOM 810 O LYS A 51 -3.793 -6.813 -23.946 1.00 40.22 O ATOM 811 CB LYS A 51 -7.373 -6.050 -24.671 1.00 25.53 C ATOM 812 CG LYS A 51 -7.702 -5.617 -26.119 1.00 10.44 C ATOM 813 CD LYS A 51 -8.984 -4.757 -26.195 1.00 32.31 C ATOM 814 CE LYS A 51 -9.390 -4.409 -27.632 1.00 71.12 C ATOM 815 NZ LYS A 51 -10.675 -3.660 -27.667 1.00 71.40 N ATOM 0 H LYS A 51 -6.384 -8.842 -23.479 1.00 32.43 H new ATOM 0 HA LYS A 51 -6.158 -7.670 -25.408 1.00 4.02 H new ATOM 0 HB2 LYS A 51 -8.253 -6.529 -24.243 1.00 25.53 H new ATOM 0 HB3 LYS A 51 -7.176 -5.157 -24.077 1.00 25.53 H new ATOM 0 HG2 LYS A 51 -6.863 -5.053 -26.527 1.00 10.44 H new ATOM 0 HG3 LYS A 51 -7.823 -6.503 -26.742 1.00 10.44 H new ATOM 0 HD2 LYS A 51 -9.802 -5.291 -25.712 1.00 32.31 H new ATOM 0 HD3 LYS A 51 -8.830 -3.835 -25.634 1.00 32.31 H new ATOM 0 HE2 LYS A 51 -8.606 -3.812 -28.099 1.00 71.12 H new ATOM 0 HE3 LYS A 51 -9.484 -5.324 -28.217 1.00 71.12 H new ATOM 0 HZ1 LYS A 51 -10.922 -3.440 -28.653 1.00 71.40 H new ATOM 0 HZ2 LYS A 51 -11.427 -4.240 -27.243 1.00 71.40 H new ATOM 0 HZ3 LYS A 51 -10.576 -2.775 -27.129 1.00 71.40 H new ATOM 829 N THR A 52 -4.616 -5.153 -25.236 1.00 33.02 N ATOM 830 CA THR A 52 -3.318 -4.427 -25.380 1.00 55.22 C ATOM 831 C THR A 52 -3.034 -3.459 -24.189 1.00 65.54 C ATOM 832 O THR A 52 -2.240 -2.514 -24.312 1.00 51.10 O ATOM 833 CB THR A 52 -3.301 -3.630 -26.732 1.00 72.43 C ATOM 834 OG1 THR A 52 -4.397 -2.696 -26.768 1.00 0.31 O ATOM 835 CG2 THR A 52 -3.387 -4.570 -27.956 1.00 53.22 C ATOM 0 H THR A 52 -5.395 -4.693 -25.707 1.00 33.02 H new ATOM 0 HA THR A 52 -2.528 -5.178 -25.378 1.00 55.22 H new ATOM 0 HB THR A 52 -2.353 -3.094 -26.783 1.00 72.43 H new ATOM 0 HG1 THR A 52 -4.378 -2.202 -27.614 1.00 0.31 H new ATOM 0 HG21 THR A 52 -3.372 -3.978 -28.871 1.00 53.22 H new ATOM 0 HG22 THR A 52 -2.537 -5.252 -27.951 1.00 53.22 H new ATOM 0 HG23 THR A 52 -4.313 -5.144 -27.910 1.00 53.22 H new ATOM 843 N GLU A 53 -3.645 -3.740 -23.024 1.00 45.20 N ATOM 844 CA GLU A 53 -3.506 -2.917 -21.808 1.00 23.12 C ATOM 845 C GLU A 53 -2.369 -3.446 -20.915 1.00 22.22 C ATOM 846 O GLU A 53 -2.519 -4.459 -20.225 1.00 34.01 O ATOM 847 CB GLU A 53 -4.863 -2.866 -21.034 1.00 5.24 C ATOM 848 CG GLU A 53 -5.913 -1.896 -21.641 1.00 41.52 C ATOM 849 CD GLU A 53 -5.653 -0.403 -21.305 1.00 1.24 C ATOM 850 OE1 GLU A 53 -4.615 0.157 -21.734 1.00 61.12 O ATOM 851 OE2 GLU A 53 -6.495 0.222 -20.620 1.00 5.11 O ATOM 0 H GLU A 53 -4.253 -4.549 -22.899 1.00 45.20 H new ATOM 0 HA GLU A 53 -3.244 -1.900 -22.101 1.00 23.12 H new ATOM 0 HB2 GLU A 53 -5.288 -3.869 -21.004 1.00 5.24 H new ATOM 0 HB3 GLU A 53 -4.668 -2.572 -20.003 1.00 5.24 H new ATOM 0 HG2 GLU A 53 -5.924 -2.019 -22.724 1.00 41.52 H new ATOM 0 HG3 GLU A 53 -6.903 -2.174 -21.279 1.00 41.52 H new ATOM 858 N GLN A 54 -1.219 -2.762 -20.969 1.00 72.32 N ATOM 859 CA GLN A 54 -0.072 -3.042 -20.094 1.00 54.20 C ATOM 860 C GLN A 54 0.655 -1.729 -19.711 1.00 43.23 C ATOM 861 O GLN A 54 0.855 -0.855 -20.564 1.00 62.04 O ATOM 862 CB GLN A 54 0.895 -4.055 -20.773 1.00 11.01 C ATOM 863 CG GLN A 54 1.630 -3.534 -22.034 1.00 64.12 C ATOM 864 CD GLN A 54 2.616 -4.547 -22.616 1.00 62.21 C ATOM 865 OE1 GLN A 54 2.272 -5.344 -23.481 1.00 14.02 O ATOM 866 NE2 GLN A 54 3.839 -4.546 -22.125 1.00 5.40 N ATOM 0 H GLN A 54 -1.057 -1.996 -21.623 1.00 72.32 H new ATOM 0 HA GLN A 54 -0.436 -3.497 -19.173 1.00 54.20 H new ATOM 0 HB2 GLN A 54 1.641 -4.365 -20.041 1.00 11.01 H new ATOM 0 HB3 GLN A 54 0.328 -4.945 -21.046 1.00 11.01 H new ATOM 0 HG2 GLN A 54 0.894 -3.274 -22.795 1.00 64.12 H new ATOM 0 HG3 GLN A 54 2.165 -2.618 -21.783 1.00 64.12 H new ATOM 0 HE21 GLN A 54 4.099 -3.872 -21.405 1.00 5.40 H new ATOM 0 HE22 GLN A 54 4.525 -5.220 -22.465 1.00 5.40 H new ATOM 875 N ARG A 55 1.025 -1.588 -18.418 1.00 33.11 N ATOM 876 CA ARG A 55 1.690 -0.375 -17.874 1.00 43.34 C ATOM 877 C ARG A 55 2.871 -0.790 -16.971 1.00 15.24 C ATOM 878 O ARG A 55 2.725 -1.688 -16.162 1.00 71.34 O ATOM 879 CB ARG A 55 0.665 0.510 -17.062 1.00 52.32 C ATOM 880 CG ARG A 55 0.207 1.812 -17.774 1.00 70.45 C ATOM 881 CD ARG A 55 -0.667 1.580 -19.026 1.00 22.55 C ATOM 882 NE ARG A 55 -0.893 2.831 -19.761 1.00 21.22 N ATOM 883 CZ ARG A 55 -1.512 2.959 -20.911 1.00 35.51 C ATOM 884 NH1 ARG A 55 -2.122 1.962 -21.486 1.00 25.23 N ATOM 885 NH2 ARG A 55 -1.539 4.123 -21.461 1.00 32.25 N ATOM 0 H ARG A 55 0.872 -2.313 -17.717 1.00 33.11 H new ATOM 0 HA ARG A 55 2.066 0.220 -18.706 1.00 43.34 H new ATOM 0 HB2 ARG A 55 -0.216 -0.093 -16.841 1.00 52.32 H new ATOM 0 HB3 ARG A 55 1.117 0.777 -16.107 1.00 52.32 H new ATOM 0 HG2 ARG A 55 -0.351 2.423 -17.064 1.00 70.45 H new ATOM 0 HG3 ARG A 55 1.089 2.384 -18.062 1.00 70.45 H new ATOM 0 HD2 ARG A 55 -0.183 0.854 -19.680 1.00 22.55 H new ATOM 0 HD3 ARG A 55 -1.625 1.153 -18.729 1.00 22.55 H new ATOM 0 HE ARG A 55 -0.533 3.685 -19.335 1.00 21.22 H new ATOM 0 HH11 ARG A 55 -2.129 1.044 -21.042 1.00 25.23 H new ATOM 0 HH12 ARG A 55 -2.593 2.100 -22.380 1.00 25.23 H new ATOM 0 HH21 ARG A 55 -1.087 4.914 -21.003 1.00 32.25 H new ATOM 0 HH22 ARG A 55 -2.012 4.254 -22.355 1.00 32.25 H new ATOM 899 N GLN A 56 4.030 -0.124 -17.106 1.00 11.42 N ATOM 900 CA GLN A 56 5.206 -0.380 -16.235 1.00 12.52 C ATOM 901 C GLN A 56 5.240 0.623 -15.059 1.00 5.13 C ATOM 902 O GLN A 56 4.735 1.744 -15.174 1.00 54.42 O ATOM 903 CB GLN A 56 6.530 -0.294 -17.047 1.00 42.40 C ATOM 904 CG GLN A 56 6.661 -1.335 -18.178 1.00 33.42 C ATOM 905 CD GLN A 56 8.066 -1.376 -18.800 1.00 40.44 C ATOM 906 OE1 GLN A 56 8.356 -0.655 -19.744 1.00 45.32 O ATOM 907 NE2 GLN A 56 8.945 -2.224 -18.280 1.00 12.15 N ATOM 0 H GLN A 56 4.185 0.598 -17.809 1.00 11.42 H new ATOM 0 HA GLN A 56 5.112 -1.389 -15.835 1.00 12.52 H new ATOM 0 HB2 GLN A 56 6.612 0.704 -17.479 1.00 42.40 H new ATOM 0 HB3 GLN A 56 7.369 -0.414 -16.362 1.00 42.40 H new ATOM 0 HG2 GLN A 56 6.415 -2.322 -17.786 1.00 33.42 H new ATOM 0 HG3 GLN A 56 5.932 -1.111 -18.957 1.00 33.42 H new ATOM 0 HE21 GLN A 56 8.679 -2.815 -17.492 1.00 12.15 H new ATOM 0 HE22 GLN A 56 9.886 -2.284 -18.668 1.00 12.15 H new ATOM 916 N ALA A 57 5.839 0.205 -13.925 1.00 53.25 N ATOM 917 CA ALA A 57 6.045 1.073 -12.738 1.00 75.21 C ATOM 918 C ALA A 57 7.444 0.839 -12.128 1.00 1.54 C ATOM 919 O ALA A 57 7.775 -0.285 -11.726 1.00 34.22 O ATOM 920 CB ALA A 57 4.953 0.825 -11.683 1.00 65.35 C ATOM 0 H ALA A 57 6.195 -0.743 -13.802 1.00 53.25 H new ATOM 0 HA ALA A 57 5.978 2.111 -13.064 1.00 75.21 H new ATOM 0 HB1 ALA A 57 5.125 1.472 -10.823 1.00 65.35 H new ATOM 0 HB2 ALA A 57 3.976 1.044 -12.113 1.00 65.35 H new ATOM 0 HB3 ALA A 57 4.984 -0.217 -11.365 1.00 65.35 H new ATOM 926 N GLY A 58 8.254 1.910 -12.083 1.00 42.52 N ATOM 927 CA GLY A 58 9.598 1.874 -11.501 1.00 11.51 C ATOM 928 C GLY A 58 9.586 2.024 -9.974 1.00 54.03 C ATOM 929 O GLY A 58 9.085 3.025 -9.447 1.00 22.21 O ATOM 0 H GLY A 58 7.991 2.824 -12.451 1.00 42.52 H new ATOM 0 HA2 GLY A 58 10.079 0.932 -11.766 1.00 11.51 H new ATOM 0 HA3 GLY A 58 10.199 2.672 -11.936 1.00 11.51 H new ATOM 933 N ILE A 59 10.124 1.010 -9.266 1.00 20.34 N ATOM 934 CA ILE A 59 10.306 1.049 -7.798 1.00 25.11 C ATOM 935 C ILE A 59 11.438 2.042 -7.445 1.00 61.20 C ATOM 936 O ILE A 59 12.566 1.903 -7.928 1.00 2.23 O ATOM 937 CB ILE A 59 10.637 -0.372 -7.162 1.00 74.33 C ATOM 938 CG1 ILE A 59 9.449 -1.390 -7.337 1.00 1.21 C ATOM 939 CG2 ILE A 59 11.020 -0.239 -5.654 1.00 32.35 C ATOM 940 CD1 ILE A 59 9.193 -1.885 -8.753 1.00 54.13 C ATOM 0 H ILE A 59 10.445 0.141 -9.694 1.00 20.34 H new ATOM 0 HA ILE A 59 9.355 1.372 -7.374 1.00 25.11 H new ATOM 0 HB ILE A 59 11.495 -0.768 -7.706 1.00 74.33 H new ATOM 0 HG12 ILE A 59 9.642 -2.254 -6.701 1.00 1.21 H new ATOM 0 HG13 ILE A 59 8.537 -0.920 -6.968 1.00 1.21 H new ATOM 0 HG21 ILE A 59 11.241 -1.225 -5.246 1.00 32.35 H new ATOM 0 HG22 ILE A 59 11.898 0.399 -5.557 1.00 32.35 H new ATOM 0 HG23 ILE A 59 10.188 0.203 -5.105 1.00 32.35 H new ATOM 0 HD11 ILE A 59 8.353 -2.579 -8.749 1.00 54.13 H new ATOM 0 HD12 ILE A 59 8.961 -1.038 -9.398 1.00 54.13 H new ATOM 0 HD13 ILE A 59 10.082 -2.393 -9.127 1.00 54.13 H new ATOM 952 N VAL A 60 11.126 3.027 -6.590 1.00 25.53 N ATOM 953 CA VAL A 60 12.077 4.092 -6.204 1.00 60.22 C ATOM 954 C VAL A 60 13.047 3.595 -5.102 1.00 15.24 C ATOM 955 O VAL A 60 14.266 3.780 -5.194 1.00 13.12 O ATOM 956 CB VAL A 60 11.300 5.374 -5.713 1.00 0.33 C ATOM 957 CG1 VAL A 60 12.263 6.559 -5.419 1.00 32.13 C ATOM 958 CG2 VAL A 60 10.201 5.774 -6.735 1.00 20.31 C ATOM 0 H VAL A 60 10.212 3.112 -6.145 1.00 25.53 H new ATOM 0 HA VAL A 60 12.665 4.355 -7.083 1.00 60.22 H new ATOM 0 HB VAL A 60 10.812 5.124 -4.771 1.00 0.33 H new ATOM 0 HG11 VAL A 60 11.687 7.421 -5.084 1.00 32.13 H new ATOM 0 HG12 VAL A 60 12.969 6.269 -4.641 1.00 32.13 H new ATOM 0 HG13 VAL A 60 12.809 6.818 -6.326 1.00 32.13 H new ATOM 0 HG21 VAL A 60 9.677 6.660 -6.377 1.00 20.31 H new ATOM 0 HG22 VAL A 60 10.662 5.989 -7.699 1.00 20.31 H new ATOM 0 HG23 VAL A 60 9.492 4.954 -6.847 1.00 20.31 H new ATOM 968 N ALA A 61 12.478 2.943 -4.073 1.00 12.52 N ATOM 969 CA ALA A 61 13.244 2.374 -2.945 1.00 45.41 C ATOM 970 C ALA A 61 12.443 1.247 -2.266 1.00 64.52 C ATOM 971 O ALA A 61 11.207 1.275 -2.254 1.00 61.43 O ATOM 972 CB ALA A 61 13.619 3.472 -1.929 1.00 42.21 C ATOM 0 H ALA A 61 11.472 2.794 -3.998 1.00 12.52 H new ATOM 0 HA ALA A 61 14.169 1.949 -3.336 1.00 45.41 H new ATOM 0 HB1 ALA A 61 14.182 3.030 -1.107 1.00 42.21 H new ATOM 0 HB2 ALA A 61 14.229 4.230 -2.421 1.00 42.21 H new ATOM 0 HB3 ALA A 61 12.711 3.933 -1.540 1.00 42.21 H new ATOM 978 N ILE A 62 13.163 0.263 -1.701 1.00 74.53 N ATOM 979 CA ILE A 62 12.554 -0.904 -1.019 1.00 43.34 C ATOM 980 C ILE A 62 13.584 -1.605 -0.094 1.00 23.12 C ATOM 981 O ILE A 62 14.781 -1.654 -0.408 1.00 73.33 O ATOM 982 CB ILE A 62 11.953 -1.950 -2.051 1.00 62.50 C ATOM 983 CG1 ILE A 62 11.334 -3.185 -1.308 1.00 53.45 C ATOM 984 CG2 ILE A 62 13.005 -2.384 -3.105 1.00 11.43 C ATOM 985 CD1 ILE A 62 10.746 -4.254 -2.207 1.00 60.34 C ATOM 0 H ILE A 62 14.183 0.249 -1.701 1.00 74.53 H new ATOM 0 HA ILE A 62 11.733 -0.522 -0.412 1.00 43.34 H new ATOM 0 HB ILE A 62 11.147 -1.453 -2.592 1.00 62.50 H new ATOM 0 HG12 ILE A 62 12.107 -3.640 -0.688 1.00 53.45 H new ATOM 0 HG13 ILE A 62 10.553 -2.830 -0.635 1.00 53.45 H new ATOM 0 HG21 ILE A 62 12.556 -3.100 -3.793 1.00 11.43 H new ATOM 0 HG22 ILE A 62 13.345 -1.510 -3.661 1.00 11.43 H new ATOM 0 HG23 ILE A 62 13.854 -2.847 -2.602 1.00 11.43 H new ATOM 0 HD11 ILE A 62 10.345 -5.063 -1.596 1.00 60.34 H new ATOM 0 HD12 ILE A 62 9.946 -3.823 -2.809 1.00 60.34 H new ATOM 0 HD13 ILE A 62 11.523 -4.646 -2.863 1.00 60.34 H new ATOM 997 N ARG A 63 13.092 -2.131 1.050 1.00 75.40 N ATOM 998 CA ARG A 63 13.889 -2.990 1.954 1.00 3.12 C ATOM 999 C ARG A 63 12.954 -3.828 2.867 1.00 61.03 C ATOM 1000 O ARG A 63 12.366 -3.297 3.820 1.00 60.22 O ATOM 1001 CB ARG A 63 14.913 -2.180 2.799 1.00 33.13 C ATOM 1002 CG ARG A 63 15.880 -3.075 3.614 1.00 34.44 C ATOM 1003 CD ARG A 63 16.976 -2.294 4.356 1.00 22.12 C ATOM 1004 NE ARG A 63 17.846 -3.213 5.120 1.00 71.14 N ATOM 1005 CZ ARG A 63 19.114 -3.463 4.857 1.00 25.40 C ATOM 1006 NH1 ARG A 63 19.748 -2.836 3.918 1.00 74.44 N ATOM 1007 NH2 ARG A 63 19.737 -4.354 5.553 1.00 21.44 N ATOM 0 H ARG A 63 12.137 -1.973 1.371 1.00 75.40 H new ATOM 0 HA ARG A 63 14.470 -3.666 1.327 1.00 3.12 H new ATOM 0 HB2 ARG A 63 15.494 -1.539 2.136 1.00 33.13 H new ATOM 0 HB3 ARG A 63 14.372 -1.525 3.482 1.00 33.13 H new ATOM 0 HG2 ARG A 63 15.303 -3.650 4.339 1.00 34.44 H new ATOM 0 HG3 ARG A 63 16.351 -3.791 2.941 1.00 34.44 H new ATOM 0 HD2 ARG A 63 17.574 -1.729 3.641 1.00 22.12 H new ATOM 0 HD3 ARG A 63 16.520 -1.571 5.032 1.00 22.12 H new ATOM 0 HE ARG A 63 17.431 -3.694 5.918 1.00 71.14 H new ATOM 0 HH11 ARG A 63 19.267 -2.130 3.361 1.00 74.44 H new ATOM 0 HH12 ARG A 63 20.729 -3.048 3.735 1.00 74.44 H new ATOM 0 HH21 ARG A 63 19.248 -4.855 6.295 1.00 21.44 H new ATOM 0 HH22 ARG A 63 20.718 -4.558 5.360 1.00 21.44 H new ATOM 1021 N ALA A 64 12.827 -5.132 2.535 1.00 13.50 N ATOM 1022 CA ALA A 64 12.030 -6.133 3.289 1.00 20.11 C ATOM 1023 C ALA A 64 10.535 -5.732 3.454 1.00 0.12 C ATOM 1024 O ALA A 64 9.704 -6.046 2.593 1.00 3.43 O ATOM 1025 CB ALA A 64 12.695 -6.470 4.643 1.00 41.52 C ATOM 0 H ALA A 64 13.286 -5.530 1.716 1.00 13.50 H new ATOM 0 HA ALA A 64 12.022 -7.041 2.686 1.00 20.11 H new ATOM 0 HB1 ALA A 64 12.089 -7.205 5.173 1.00 41.52 H new ATOM 0 HB2 ALA A 64 13.690 -6.878 4.468 1.00 41.52 H new ATOM 0 HB3 ALA A 64 12.775 -5.564 5.244 1.00 41.52 H new ATOM 1031 N TYR A 65 10.211 -5.000 4.541 1.00 62.52 N ATOM 1032 CA TYR A 65 8.819 -4.594 4.873 1.00 74.34 C ATOM 1033 C TYR A 65 8.787 -3.201 5.559 1.00 43.20 C ATOM 1034 O TYR A 65 7.721 -2.708 5.940 1.00 61.11 O ATOM 1035 CB TYR A 65 8.151 -5.681 5.777 1.00 33.21 C ATOM 1036 CG TYR A 65 8.607 -5.721 7.256 1.00 73.41 C ATOM 1037 CD1 TYR A 65 9.956 -5.697 7.629 1.00 13.21 C ATOM 1038 CD2 TYR A 65 7.668 -5.771 8.284 1.00 25.14 C ATOM 1039 CE1 TYR A 65 10.335 -5.721 8.964 1.00 4.53 C ATOM 1040 CE2 TYR A 65 8.038 -5.793 9.609 1.00 15.22 C ATOM 1041 CZ TYR A 65 9.368 -5.770 9.951 1.00 62.21 C ATOM 1042 OH TYR A 65 9.733 -5.795 11.283 1.00 22.41 O ATOM 0 H TYR A 65 10.902 -4.672 5.215 1.00 62.52 H new ATOM 0 HA TYR A 65 8.251 -4.511 3.946 1.00 74.34 H new ATOM 0 HB2 TYR A 65 7.072 -5.527 5.756 1.00 33.21 H new ATOM 0 HB3 TYR A 65 8.342 -6.658 5.334 1.00 33.21 H new ATOM 0 HD1 TYR A 65 10.717 -5.659 6.863 1.00 13.21 H new ATOM 0 HD2 TYR A 65 6.618 -5.793 8.033 1.00 25.14 H new ATOM 0 HE1 TYR A 65 11.381 -5.701 9.231 1.00 4.53 H new ATOM 0 HE2 TYR A 65 7.283 -5.828 10.380 1.00 15.22 H new ATOM 0 HH TYR A 65 8.929 -5.828 11.842 1.00 22.41 H new ATOM 1052 N SER A 66 9.971 -2.570 5.696 1.00 65.04 N ATOM 1053 CA SER A 66 10.130 -1.262 6.381 1.00 15.00 C ATOM 1054 C SER A 66 9.776 -0.077 5.459 1.00 5.34 C ATOM 1055 O SER A 66 9.597 1.046 5.950 1.00 14.44 O ATOM 1056 CB SER A 66 11.583 -1.107 6.892 1.00 10.12 C ATOM 1057 OG SER A 66 11.960 -2.201 7.721 1.00 51.24 O ATOM 0 H SER A 66 10.847 -2.950 5.336 1.00 65.04 H new ATOM 0 HA SER A 66 9.436 -1.248 7.221 1.00 15.00 H new ATOM 0 HB2 SER A 66 12.264 -1.040 6.043 1.00 10.12 H new ATOM 0 HB3 SER A 66 11.677 -0.176 7.451 1.00 10.12 H new ATOM 0 HG SER A 66 12.883 -2.077 8.027 1.00 51.24 H new ATOM 1063 N PHE A 67 9.679 -0.352 4.129 1.00 33.01 N ATOM 1064 CA PHE A 67 9.334 0.649 3.085 1.00 71.24 C ATOM 1065 C PHE A 67 9.392 0.033 1.659 1.00 12.32 C ATOM 1066 O PHE A 67 10.256 -0.807 1.366 1.00 40.14 O ATOM 1067 CB PHE A 67 10.223 1.937 3.144 1.00 64.34 C ATOM 1068 CG PHE A 67 11.726 1.757 2.909 1.00 14.05 C ATOM 1069 CD1 PHE A 67 12.586 1.443 3.960 1.00 12.33 C ATOM 1070 CD2 PHE A 67 12.284 1.929 1.640 1.00 62.03 C ATOM 1071 CE1 PHE A 67 13.943 1.302 3.751 1.00 73.04 C ATOM 1072 CE2 PHE A 67 13.639 1.790 1.434 1.00 30.42 C ATOM 1073 CZ PHE A 67 14.468 1.478 2.485 1.00 12.12 C ATOM 0 H PHE A 67 9.840 -1.285 3.750 1.00 33.01 H new ATOM 0 HA PHE A 67 8.310 0.951 3.302 1.00 71.24 H new ATOM 0 HB2 PHE A 67 9.847 2.642 2.403 1.00 64.34 H new ATOM 0 HB3 PHE A 67 10.086 2.398 4.122 1.00 64.34 H new ATOM 0 HD1 PHE A 67 12.184 1.308 4.953 1.00 12.33 H new ATOM 0 HD2 PHE A 67 11.643 2.175 0.807 1.00 62.03 H new ATOM 0 HE1 PHE A 67 14.594 1.054 4.576 1.00 73.04 H new ATOM 0 HE2 PHE A 67 14.051 1.926 0.445 1.00 30.42 H new ATOM 0 HZ PHE A 67 15.530 1.370 2.321 1.00 12.12 H new ATOM 1083 N ILE A 68 8.435 0.441 0.803 1.00 33.32 N ATOM 1084 CA ILE A 68 8.448 0.166 -0.651 1.00 3.15 C ATOM 1085 C ILE A 68 7.705 1.305 -1.413 1.00 64.22 C ATOM 1086 O ILE A 68 6.623 1.735 -1.009 1.00 42.23 O ATOM 1087 CB ILE A 68 7.818 -1.239 -0.992 1.00 45.22 C ATOM 1088 CG1 ILE A 68 8.004 -1.585 -2.508 1.00 32.21 C ATOM 1089 CG2 ILE A 68 6.332 -1.309 -0.564 1.00 2.31 C ATOM 1090 CD1 ILE A 68 7.423 -2.920 -2.933 1.00 53.14 C ATOM 0 H ILE A 68 7.621 0.977 1.103 1.00 33.32 H new ATOM 0 HA ILE A 68 9.488 0.136 -0.977 1.00 3.15 H new ATOM 0 HB ILE A 68 8.353 -1.995 -0.417 1.00 45.22 H new ATOM 0 HG12 ILE A 68 7.543 -0.798 -3.105 1.00 32.21 H new ATOM 0 HG13 ILE A 68 9.069 -1.578 -2.739 1.00 32.21 H new ATOM 0 HG21 ILE A 68 5.927 -2.290 -0.813 1.00 2.31 H new ATOM 0 HG22 ILE A 68 6.255 -1.147 0.511 1.00 2.31 H new ATOM 0 HG23 ILE A 68 5.766 -0.539 -1.088 1.00 2.31 H new ATOM 0 HD11 ILE A 68 7.600 -3.072 -3.998 1.00 53.14 H new ATOM 0 HD12 ILE A 68 7.900 -3.721 -2.368 1.00 53.14 H new ATOM 0 HD13 ILE A 68 6.350 -2.928 -2.739 1.00 53.14 H new ATOM 1102 N ARG A 69 8.310 1.819 -2.510 1.00 71.22 N ATOM 1103 CA ARG A 69 7.758 2.986 -3.260 1.00 1.44 C ATOM 1104 C ARG A 69 7.611 2.678 -4.763 1.00 50.51 C ATOM 1105 O ARG A 69 8.464 2.018 -5.349 1.00 51.34 O ATOM 1106 CB ARG A 69 8.653 4.248 -3.082 1.00 15.14 C ATOM 1107 CG ARG A 69 8.849 4.724 -1.623 1.00 63.11 C ATOM 1108 CD ARG A 69 9.985 3.995 -0.874 1.00 24.35 C ATOM 1109 NE ARG A 69 9.957 4.254 0.571 1.00 1.33 N ATOM 1110 CZ ARG A 69 10.667 5.160 1.210 1.00 60.31 C ATOM 1111 NH1 ARG A 69 11.524 5.908 0.593 1.00 32.45 N ATOM 1112 NH2 ARG A 69 10.527 5.295 2.482 1.00 15.31 N ATOM 0 H ARG A 69 9.178 1.450 -2.899 1.00 71.22 H new ATOM 0 HA ARG A 69 6.771 3.185 -2.843 1.00 1.44 H new ATOM 0 HB2 ARG A 69 9.633 4.041 -3.513 1.00 15.14 H new ATOM 0 HB3 ARG A 69 8.218 5.065 -3.657 1.00 15.14 H new ATOM 0 HG2 ARG A 69 9.057 5.794 -1.625 1.00 63.11 H new ATOM 0 HG3 ARG A 69 7.917 4.581 -1.076 1.00 63.11 H new ATOM 0 HD2 ARG A 69 9.903 2.922 -1.050 1.00 24.35 H new ATOM 0 HD3 ARG A 69 10.946 4.312 -1.279 1.00 24.35 H new ATOM 0 HE ARG A 69 9.329 3.678 1.132 1.00 1.33 H new ATOM 0 HH11 ARG A 69 11.662 5.803 -0.412 1.00 32.45 H new ATOM 0 HH12 ARG A 69 12.061 6.603 1.112 1.00 32.45 H new ATOM 0 HH21 ARG A 69 9.869 4.702 2.988 1.00 15.31 H new ATOM 0 HH22 ARG A 69 11.074 5.995 2.984 1.00 15.31 H new ATOM 1126 N PHE A 70 6.526 3.191 -5.378 1.00 3.52 N ATOM 1127 CA PHE A 70 6.248 3.030 -6.832 1.00 61.23 C ATOM 1128 C PHE A 70 6.009 4.397 -7.521 1.00 10.32 C ATOM 1129 O PHE A 70 5.384 5.296 -6.946 1.00 40.34 O ATOM 1130 CB PHE A 70 5.000 2.124 -7.061 1.00 20.02 C ATOM 1131 CG PHE A 70 5.180 0.665 -6.644 1.00 33.00 C ATOM 1132 CD1 PHE A 70 5.022 0.274 -5.315 1.00 72.12 C ATOM 1133 CD2 PHE A 70 5.513 -0.318 -7.584 1.00 43.05 C ATOM 1134 CE1 PHE A 70 5.190 -1.040 -4.941 1.00 24.04 C ATOM 1135 CE2 PHE A 70 5.679 -1.635 -7.203 1.00 74.42 C ATOM 1136 CZ PHE A 70 5.519 -1.995 -5.883 1.00 62.25 C ATOM 0 H PHE A 70 5.813 3.730 -4.886 1.00 3.52 H new ATOM 0 HA PHE A 70 7.128 2.561 -7.273 1.00 61.23 H new ATOM 0 HB2 PHE A 70 4.158 2.543 -6.510 1.00 20.02 H new ATOM 0 HB3 PHE A 70 4.736 2.155 -8.118 1.00 20.02 H new ATOM 0 HD1 PHE A 70 4.764 1.012 -4.569 1.00 72.12 H new ATOM 0 HD2 PHE A 70 5.642 -0.043 -8.620 1.00 43.05 H new ATOM 0 HE1 PHE A 70 5.064 -1.325 -3.907 1.00 24.04 H new ATOM 0 HE2 PHE A 70 5.934 -2.382 -7.940 1.00 74.42 H new ATOM 0 HZ PHE A 70 5.651 -3.025 -5.585 1.00 62.25 H new ATOM 1146 N HIS A 71 6.529 4.532 -8.755 1.00 21.44 N ATOM 1147 CA HIS A 71 6.158 5.607 -9.708 1.00 13.14 C ATOM 1148 C HIS A 71 5.885 4.979 -11.088 1.00 43.44 C ATOM 1149 O HIS A 71 6.731 4.266 -11.630 1.00 52.03 O ATOM 1150 CB HIS A 71 7.258 6.701 -9.825 1.00 72.34 C ATOM 1151 CG HIS A 71 7.301 7.678 -8.679 1.00 54.03 C ATOM 1152 ND1 HIS A 71 8.475 8.170 -8.156 1.00 52.23 N ATOM 1153 CD2 HIS A 71 6.307 8.290 -7.988 1.00 55.44 C ATOM 1154 CE1 HIS A 71 8.207 9.036 -7.205 1.00 11.45 C ATOM 1155 NE2 HIS A 71 6.901 9.134 -7.081 1.00 14.04 N ATOM 0 H HIS A 71 7.229 3.891 -9.128 1.00 21.44 H new ATOM 0 HA HIS A 71 5.262 6.100 -9.330 1.00 13.14 H new ATOM 0 HB2 HIS A 71 8.229 6.213 -9.905 1.00 72.34 H new ATOM 0 HB3 HIS A 71 7.103 7.255 -10.751 1.00 72.34 H new ATOM 0 HD1 HIS A 71 9.411 7.903 -8.460 1.00 52.23 H new ATOM 0 HD2 HIS A 71 5.246 8.141 -8.125 1.00 55.44 H new ATOM 0 HE1 HIS A 71 8.937 9.577 -6.622 1.00 11.45 H new ATOM 1164 N TRP A 72 4.709 5.273 -11.650 1.00 53.41 N ATOM 1165 CA TRP A 72 4.245 4.681 -12.918 1.00 71.35 C ATOM 1166 C TRP A 72 4.930 5.363 -14.125 1.00 42.13 C ATOM 1167 O TRP A 72 4.850 6.590 -14.284 1.00 20.21 O ATOM 1168 CB TRP A 72 2.698 4.783 -13.012 1.00 0.03 C ATOM 1169 CG TRP A 72 1.972 3.956 -11.963 1.00 62.01 C ATOM 1170 CD1 TRP A 72 1.401 2.719 -12.135 1.00 4.11 C ATOM 1171 CD2 TRP A 72 1.757 4.303 -10.578 1.00 41.34 C ATOM 1172 NE1 TRP A 72 0.846 2.289 -10.959 1.00 21.21 N ATOM 1173 CE2 TRP A 72 1.052 3.238 -9.989 1.00 53.32 C ATOM 1174 CE3 TRP A 72 2.096 5.408 -9.782 1.00 64.52 C ATOM 1175 CZ2 TRP A 72 0.675 3.246 -8.646 1.00 21.24 C ATOM 1176 CZ3 TRP A 72 1.720 5.417 -8.450 1.00 34.03 C ATOM 1177 CH2 TRP A 72 1.019 4.339 -7.893 1.00 5.33 C ATOM 0 H TRP A 72 4.046 5.931 -11.240 1.00 53.41 H new ATOM 0 HA TRP A 72 4.522 3.627 -12.940 1.00 71.35 H new ATOM 0 HB2 TRP A 72 2.403 5.827 -12.908 1.00 0.03 H new ATOM 0 HB3 TRP A 72 2.380 4.459 -14.003 1.00 0.03 H new ATOM 0 HD1 TRP A 72 1.391 2.166 -13.063 1.00 4.11 H new ATOM 0 HE1 TRP A 72 0.357 1.404 -10.825 1.00 21.21 H new ATOM 0 HE3 TRP A 72 2.642 6.239 -10.203 1.00 64.52 H new ATOM 0 HZ2 TRP A 72 0.131 2.419 -8.214 1.00 21.24 H new ATOM 0 HZ3 TRP A 72 1.970 6.266 -7.832 1.00 34.03 H new ATOM 0 HH2 TRP A 72 0.744 4.370 -6.849 1.00 5.33 H new ATOM 1188 N LEU A 73 5.591 4.545 -14.976 1.00 71.53 N ATOM 1189 CA LEU A 73 6.331 5.015 -16.175 1.00 73.41 C ATOM 1190 C LEU A 73 5.381 5.497 -17.316 1.00 24.44 C ATOM 1191 O LEU A 73 5.836 5.904 -18.388 1.00 41.45 O ATOM 1192 CB LEU A 73 7.282 3.893 -16.677 1.00 63.24 C ATOM 1193 CG LEU A 73 8.342 3.375 -15.642 1.00 64.03 C ATOM 1194 CD1 LEU A 73 9.274 2.315 -16.270 1.00 1.14 C ATOM 1195 CD2 LEU A 73 9.156 4.545 -15.031 1.00 74.54 C ATOM 0 H LEU A 73 5.627 3.533 -14.851 1.00 71.53 H new ATOM 0 HA LEU A 73 6.920 5.884 -15.881 1.00 73.41 H new ATOM 0 HB2 LEU A 73 6.675 3.047 -17.000 1.00 63.24 H new ATOM 0 HB3 LEU A 73 7.811 4.259 -17.557 1.00 63.24 H new ATOM 0 HG LEU A 73 7.795 2.894 -14.831 1.00 64.03 H new ATOM 0 HD11 LEU A 73 9.996 1.978 -15.526 1.00 1.14 H new ATOM 0 HD12 LEU A 73 8.682 1.466 -16.611 1.00 1.14 H new ATOM 0 HD13 LEU A 73 9.803 2.752 -17.117 1.00 1.14 H new ATOM 0 HD21 LEU A 73 9.881 4.151 -14.319 1.00 74.54 H new ATOM 0 HD22 LEU A 73 9.680 5.077 -15.825 1.00 74.54 H new ATOM 0 HD23 LEU A 73 8.480 5.230 -14.519 1.00 74.54 H new ATOM 1311 N TYR A 81 4.941 10.572 -3.687 1.00 3.41 N ATOM 1312 CA TYR A 81 5.285 9.147 -3.885 1.00 53.33 C ATOM 1313 C TYR A 81 4.276 8.246 -3.136 1.00 32.51 C ATOM 1314 O TYR A 81 3.824 8.604 -2.039 1.00 21.44 O ATOM 1315 CB TYR A 81 6.741 8.900 -3.369 1.00 43.53 C ATOM 1316 CG TYR A 81 6.989 9.411 -1.924 1.00 24.03 C ATOM 1317 CD1 TYR A 81 7.309 10.755 -1.676 1.00 1.10 C ATOM 1318 CD2 TYR A 81 6.862 8.569 -0.815 1.00 12.42 C ATOM 1319 CE1 TYR A 81 7.496 11.224 -0.389 1.00 40.14 C ATOM 1320 CE2 TYR A 81 7.043 9.040 0.473 1.00 50.45 C ATOM 1321 CZ TYR A 81 7.359 10.364 0.680 1.00 62.31 C ATOM 1322 OH TYR A 81 7.532 10.832 1.967 1.00 71.11 O ATOM 0 HA TYR A 81 5.234 8.898 -4.945 1.00 53.33 H new ATOM 0 HB2 TYR A 81 6.954 7.832 -3.408 1.00 43.53 H new ATOM 0 HB3 TYR A 81 7.443 9.390 -4.043 1.00 43.53 H new ATOM 0 HD1 TYR A 81 7.411 11.437 -2.507 1.00 1.10 H new ATOM 0 HD2 TYR A 81 6.617 7.528 -0.967 1.00 12.42 H new ATOM 0 HE1 TYR A 81 7.749 12.261 -0.221 1.00 40.14 H new ATOM 0 HE2 TYR A 81 6.937 8.371 1.314 1.00 50.45 H new ATOM 0 HH TYR A 81 7.399 10.098 2.603 1.00 71.11 H new ATOM 1332 N PHE A 82 3.899 7.094 -3.733 1.00 51.53 N ATOM 1333 CA PHE A 82 3.060 6.096 -3.035 1.00 63.35 C ATOM 1334 C PHE A 82 3.980 5.124 -2.256 1.00 32.04 C ATOM 1335 O PHE A 82 4.710 4.322 -2.851 1.00 53.33 O ATOM 1336 CB PHE A 82 2.133 5.345 -4.032 1.00 33.24 C ATOM 1337 CG PHE A 82 1.091 4.429 -3.369 1.00 1.41 C ATOM 1338 CD1 PHE A 82 0.360 4.864 -2.257 1.00 64.42 C ATOM 1339 CD2 PHE A 82 0.834 3.145 -3.858 1.00 51.52 C ATOM 1340 CE1 PHE A 82 -0.580 4.048 -1.658 1.00 13.31 C ATOM 1341 CE2 PHE A 82 -0.111 2.329 -3.254 1.00 14.14 C ATOM 1342 CZ PHE A 82 -0.817 2.782 -2.153 1.00 40.41 C ATOM 0 H PHE A 82 4.159 6.834 -4.685 1.00 51.53 H new ATOM 0 HA PHE A 82 2.404 6.602 -2.327 1.00 63.35 H new ATOM 0 HB2 PHE A 82 1.613 6.079 -4.648 1.00 33.24 H new ATOM 0 HB3 PHE A 82 2.750 4.746 -4.702 1.00 33.24 H new ATOM 0 HD1 PHE A 82 0.534 5.854 -1.861 1.00 64.42 H new ATOM 0 HD2 PHE A 82 1.379 2.783 -4.718 1.00 51.52 H new ATOM 0 HE1 PHE A 82 -1.131 4.402 -0.799 1.00 13.31 H new ATOM 0 HE2 PHE A 82 -0.296 1.339 -3.643 1.00 14.14 H new ATOM 0 HZ PHE A 82 -1.552 2.146 -1.682 1.00 40.41 H new ATOM 1352 N GLU A 83 3.937 5.242 -0.924 1.00 42.21 N ATOM 1353 CA GLU A 83 4.837 4.533 0.012 1.00 1.40 C ATOM 1354 C GLU A 83 4.007 3.545 0.862 1.00 73.11 C ATOM 1355 O GLU A 83 2.938 3.904 1.348 1.00 44.11 O ATOM 1356 CB GLU A 83 5.531 5.610 0.921 1.00 41.10 C ATOM 1357 CG GLU A 83 6.962 5.319 1.406 1.00 63.15 C ATOM 1358 CD GLU A 83 7.114 4.109 2.335 1.00 64.42 C ATOM 1359 OE1 GLU A 83 7.284 2.984 1.830 1.00 2.14 O ATOM 1360 OE2 GLU A 83 7.112 4.294 3.569 1.00 14.50 O ATOM 0 H GLU A 83 3.264 5.844 -0.450 1.00 42.21 H new ATOM 0 HA GLU A 83 5.597 3.965 -0.524 1.00 1.40 H new ATOM 0 HB2 GLU A 83 5.547 6.552 0.373 1.00 41.10 H new ATOM 0 HB3 GLU A 83 4.903 5.763 1.799 1.00 41.10 H new ATOM 0 HG2 GLU A 83 7.598 5.167 0.534 1.00 63.15 H new ATOM 0 HG3 GLU A 83 7.337 6.202 1.924 1.00 63.15 H new ATOM 1367 N ILE A 84 4.474 2.297 1.016 1.00 1.33 N ATOM 1368 CA ILE A 84 3.806 1.297 1.886 1.00 14.05 C ATOM 1369 C ILE A 84 4.848 0.645 2.817 1.00 52.41 C ATOM 1370 O ILE A 84 5.875 0.144 2.354 1.00 43.34 O ATOM 1371 CB ILE A 84 3.051 0.154 1.093 1.00 34.43 C ATOM 1372 CG1 ILE A 84 2.101 0.707 -0.035 1.00 61.23 C ATOM 1373 CG2 ILE A 84 2.260 -0.728 2.087 1.00 43.33 C ATOM 1374 CD1 ILE A 84 2.776 1.011 -1.365 1.00 31.41 C ATOM 0 H ILE A 84 5.313 1.948 0.552 1.00 1.33 H new ATOM 0 HA ILE A 84 3.051 1.846 2.449 1.00 14.05 H new ATOM 0 HB ILE A 84 3.808 -0.443 0.585 1.00 34.43 H new ATOM 0 HG12 ILE A 84 1.308 -0.020 -0.207 1.00 61.23 H new ATOM 0 HG13 ILE A 84 1.625 1.618 0.328 1.00 61.23 H new ATOM 0 HG21 ILE A 84 1.740 -1.515 1.541 1.00 43.33 H new ATOM 0 HG22 ILE A 84 2.949 -1.177 2.803 1.00 43.33 H new ATOM 0 HG23 ILE A 84 1.533 -0.114 2.619 1.00 43.33 H new ATOM 0 HD11 ILE A 84 2.035 1.386 -2.072 1.00 31.41 H new ATOM 0 HD12 ILE A 84 3.550 1.764 -1.217 1.00 31.41 H new ATOM 0 HD13 ILE A 84 3.227 0.101 -1.761 1.00 31.41 H new ATOM 1386 N LYS A 85 4.583 0.667 4.130 1.00 1.13 N ATOM 1387 CA LYS A 85 5.462 0.057 5.147 1.00 24.14 C ATOM 1388 C LYS A 85 4.625 -0.603 6.262 1.00 35.32 C ATOM 1389 O LYS A 85 3.417 -0.358 6.372 1.00 42.03 O ATOM 1390 CB LYS A 85 6.380 1.158 5.732 1.00 4.21 C ATOM 1391 CG LYS A 85 5.618 2.350 6.355 1.00 4.30 C ATOM 1392 CD LYS A 85 6.530 3.523 6.767 1.00 24.22 C ATOM 1393 CE LYS A 85 7.579 3.150 7.828 1.00 70.51 C ATOM 1394 NZ LYS A 85 8.429 4.313 8.180 1.00 65.33 N ATOM 0 H LYS A 85 3.751 1.109 4.522 1.00 1.13 H new ATOM 0 HA LYS A 85 6.071 -0.721 4.687 1.00 24.14 H new ATOM 0 HB2 LYS A 85 7.023 0.714 6.492 1.00 4.21 H new ATOM 0 HB3 LYS A 85 7.032 1.530 4.942 1.00 4.21 H new ATOM 0 HG2 LYS A 85 4.878 2.710 5.640 1.00 4.30 H new ATOM 0 HG3 LYS A 85 5.071 2.002 7.231 1.00 4.30 H new ATOM 0 HD2 LYS A 85 7.041 3.902 5.882 1.00 24.22 H new ATOM 0 HD3 LYS A 85 5.912 4.335 7.150 1.00 24.22 H new ATOM 0 HE2 LYS A 85 7.078 2.779 8.722 1.00 70.51 H new ATOM 0 HE3 LYS A 85 8.205 2.340 7.454 1.00 70.51 H new ATOM 0 HZ1 LYS A 85 9.126 4.029 8.898 1.00 65.33 H new ATOM 0 HZ2 LYS A 85 8.925 4.651 7.330 1.00 65.33 H new ATOM 0 HZ3 LYS A 85 7.833 5.076 8.559 1.00 65.33 H new ATOM 1408 N MET A 86 5.274 -1.437 7.094 1.00 52.41 N ATOM 1409 CA MET A 86 4.639 -2.042 8.281 1.00 61.02 C ATOM 1410 C MET A 86 5.685 -2.375 9.373 1.00 11.25 C ATOM 1411 O MET A 86 6.895 -2.403 9.114 1.00 4.34 O ATOM 1412 CB MET A 86 3.804 -3.307 7.913 1.00 22.32 C ATOM 1413 CG MET A 86 4.600 -4.443 7.246 1.00 43.15 C ATOM 1414 SD MET A 86 4.863 -4.211 5.478 1.00 44.10 S ATOM 1415 CE MET A 86 3.239 -4.608 4.847 1.00 3.04 C ATOM 0 H MET A 86 6.248 -1.710 6.965 1.00 52.41 H new ATOM 0 HA MET A 86 3.951 -1.299 8.685 1.00 61.02 H new ATOM 0 HB2 MET A 86 3.340 -3.694 8.820 1.00 22.32 H new ATOM 0 HB3 MET A 86 2.997 -3.009 7.244 1.00 22.32 H new ATOM 0 HG2 MET A 86 5.568 -4.533 7.739 1.00 43.15 H new ATOM 0 HG3 MET A 86 4.073 -5.384 7.405 1.00 43.15 H new ATOM 0 HE1 MET A 86 3.337 -5.217 3.948 1.00 3.04 H new ATOM 0 HE2 MET A 86 2.681 -5.162 5.602 1.00 3.04 H new ATOM 0 HE3 MET A 86 2.707 -3.688 4.606 1.00 3.04 H new ATOM 1425 N SER A 87 5.183 -2.627 10.593 1.00 32.44 N ATOM 1426 CA SER A 87 6.015 -2.907 11.793 1.00 41.23 C ATOM 1427 C SER A 87 5.226 -3.759 12.806 1.00 50.32 C ATOM 1428 O SER A 87 4.003 -3.686 12.845 1.00 10.41 O ATOM 1429 CB SER A 87 6.468 -1.584 12.462 1.00 30.53 C ATOM 1430 OG SER A 87 7.207 -1.818 13.656 1.00 2.23 O ATOM 0 H SER A 87 4.181 -2.644 10.784 1.00 32.44 H new ATOM 0 HA SER A 87 6.898 -3.461 11.474 1.00 41.23 H new ATOM 0 HB2 SER A 87 7.080 -1.014 11.762 1.00 30.53 H new ATOM 0 HB3 SER A 87 5.593 -0.975 12.690 1.00 30.53 H new ATOM 0 HG SER A 87 7.476 -0.961 14.047 1.00 2.23 H new ATOM 1436 N TYR A 88 5.925 -4.554 13.632 1.00 12.41 N ATOM 1437 CA TYR A 88 5.274 -5.442 14.624 1.00 61.31 C ATOM 1438 C TYR A 88 5.106 -4.715 15.986 1.00 32.42 C ATOM 1439 O TYR A 88 6.092 -4.296 16.591 1.00 52.44 O ATOM 1440 CB TYR A 88 6.100 -6.751 14.789 1.00 35.10 C ATOM 1441 CG TYR A 88 5.427 -7.859 15.634 1.00 70.12 C ATOM 1442 CD1 TYR A 88 4.041 -8.069 15.594 1.00 52.25 C ATOM 1443 CD2 TYR A 88 6.179 -8.718 16.443 1.00 72.35 C ATOM 1444 CE1 TYR A 88 3.442 -9.076 16.319 1.00 73.54 C ATOM 1445 CE2 TYR A 88 5.575 -9.726 17.177 1.00 62.53 C ATOM 1446 CZ TYR A 88 4.208 -9.901 17.107 1.00 23.21 C ATOM 1447 OH TYR A 88 3.604 -10.909 17.822 1.00 4.23 O ATOM 0 H TYR A 88 6.944 -4.604 13.637 1.00 12.41 H new ATOM 0 HA TYR A 88 4.280 -5.703 14.262 1.00 61.31 H new ATOM 0 HB2 TYR A 88 6.314 -7.153 13.799 1.00 35.10 H new ATOM 0 HB3 TYR A 88 7.058 -6.501 15.245 1.00 35.10 H new ATOM 0 HD1 TYR A 88 3.428 -7.426 14.980 1.00 52.25 H new ATOM 0 HD2 TYR A 88 7.250 -8.593 16.496 1.00 72.35 H new ATOM 0 HE1 TYR A 88 2.372 -9.217 16.268 1.00 73.54 H new ATOM 0 HE2 TYR A 88 6.172 -10.373 17.802 1.00 62.53 H new ATOM 0 HH TYR A 88 4.282 -11.403 18.328 1.00 4.23 H new ATOM 1457 N ASN A 89 3.840 -4.581 16.453 1.00 15.34 N ATOM 1458 CA ASN A 89 3.506 -3.996 17.787 1.00 20.30 C ATOM 1459 C ASN A 89 4.163 -4.794 18.943 1.00 62.52 C ATOM 1460 O ASN A 89 4.508 -4.220 19.983 1.00 33.15 O ATOM 1461 CB ASN A 89 1.963 -3.953 17.990 1.00 72.23 C ATOM 1462 CG ASN A 89 1.286 -2.822 17.219 1.00 22.21 C ATOM 1463 OD1 ASN A 89 1.057 -1.746 17.748 1.00 10.22 O ATOM 1464 ND2 ASN A 89 0.994 -3.042 15.959 1.00 64.21 N ATOM 0 H ASN A 89 3.020 -4.873 15.921 1.00 15.34 H new ATOM 0 HA ASN A 89 3.903 -2.981 17.806 1.00 20.30 H new ATOM 0 HB2 ASN A 89 1.535 -4.905 17.676 1.00 72.23 H new ATOM 0 HB3 ASN A 89 1.746 -3.841 19.052 1.00 72.23 H new ATOM 0 HD21 ASN A 89 0.566 -2.305 15.399 1.00 64.21 H new ATOM 0 HD22 ASN A 89 1.195 -3.950 15.540 1.00 64.21 H new ATOM 1471 N GLU A 90 4.263 -6.128 18.744 1.00 20.10 N ATOM 1472 CA GLU A 90 4.993 -7.082 19.624 1.00 63.21 C ATOM 1473 C GLU A 90 4.230 -7.445 20.935 1.00 13.53 C ATOM 1474 O GLU A 90 4.173 -8.622 21.312 1.00 61.20 O ATOM 1475 CB GLU A 90 6.438 -6.586 19.930 1.00 45.12 C ATOM 1476 CG GLU A 90 7.369 -7.642 20.557 1.00 31.33 C ATOM 1477 CD GLU A 90 8.778 -7.098 20.859 1.00 3.34 C ATOM 1478 OE1 GLU A 90 9.618 -7.035 19.929 1.00 33.22 O ATOM 1479 OE2 GLU A 90 9.049 -6.733 22.023 1.00 72.25 O ATOM 0 H GLU A 90 3.827 -6.588 17.945 1.00 20.10 H new ATOM 0 HA GLU A 90 5.059 -8.009 19.055 1.00 63.21 H new ATOM 0 HB2 GLU A 90 6.888 -6.231 19.003 1.00 45.12 H new ATOM 0 HB3 GLU A 90 6.378 -5.731 20.603 1.00 45.12 H new ATOM 0 HG2 GLU A 90 6.922 -8.010 21.480 1.00 31.33 H new ATOM 0 HG3 GLU A 90 7.451 -8.493 19.881 1.00 31.33 H new ATOM 1486 N LEU A 91 3.651 -6.443 21.619 1.00 21.20 N ATOM 1487 CA LEU A 91 2.958 -6.634 22.913 1.00 23.33 C ATOM 1488 C LEU A 91 1.545 -7.226 22.711 1.00 2.51 C ATOM 1489 O LEU A 91 1.170 -8.196 23.373 1.00 65.32 O ATOM 1490 CB LEU A 91 2.869 -5.278 23.675 1.00 34.12 C ATOM 1491 CG LEU A 91 4.225 -4.547 23.951 1.00 64.42 C ATOM 1492 CD1 LEU A 91 4.013 -3.261 24.783 1.00 25.43 C ATOM 1493 CD2 LEU A 91 5.247 -5.489 24.629 1.00 31.01 C ATOM 0 H LEU A 91 3.648 -5.476 21.294 1.00 21.20 H new ATOM 0 HA LEU A 91 3.537 -7.342 23.506 1.00 23.33 H new ATOM 0 HB2 LEU A 91 2.228 -4.606 23.104 1.00 34.12 H new ATOM 0 HB3 LEU A 91 2.375 -5.454 24.630 1.00 34.12 H new ATOM 0 HG LEU A 91 4.638 -4.252 22.986 1.00 64.42 H new ATOM 0 HD11 LEU A 91 4.974 -2.778 24.957 1.00 25.43 H new ATOM 0 HD12 LEU A 91 3.357 -2.580 24.240 1.00 25.43 H new ATOM 0 HD13 LEU A 91 3.558 -3.517 25.739 1.00 25.43 H new ATOM 0 HD21 LEU A 91 6.177 -4.949 24.806 1.00 31.01 H new ATOM 0 HD22 LEU A 91 4.844 -5.840 25.579 1.00 31.01 H new ATOM 0 HD23 LEU A 91 5.441 -6.343 23.980 1.00 31.01 H new ATOM 1505 N THR A 92 0.772 -6.629 21.779 1.00 52.13 N ATOM 1506 CA THR A 92 -0.639 -7.027 21.518 1.00 72.45 C ATOM 1507 C THR A 92 -0.761 -8.104 20.409 1.00 53.42 C ATOM 1508 O THR A 92 -1.706 -8.904 20.408 1.00 23.12 O ATOM 1509 CB THR A 92 -1.526 -5.781 21.162 1.00 3.24 C ATOM 1510 OG1 THR A 92 -2.884 -6.187 20.914 1.00 23.43 O ATOM 1511 CG2 THR A 92 -0.987 -4.999 19.949 1.00 25.43 C ATOM 0 H THR A 92 1.099 -5.864 21.188 1.00 52.13 H new ATOM 0 HA THR A 92 -1.006 -7.469 22.444 1.00 72.45 H new ATOM 0 HB THR A 92 -1.492 -5.114 22.023 1.00 3.24 H new ATOM 0 HG1 THR A 92 -3.059 -6.171 19.950 1.00 23.43 H new ATOM 0 HG21 THR A 92 -1.637 -4.148 19.746 1.00 25.43 H new ATOM 0 HG22 THR A 92 0.020 -4.642 20.164 1.00 25.43 H new ATOM 0 HG23 THR A 92 -0.962 -5.652 19.077 1.00 25.43 H new ATOM 1519 N GLY A 93 0.214 -8.129 19.478 1.00 5.33 N ATOM 1520 CA GLY A 93 0.223 -9.105 18.362 1.00 25.05 C ATOM 1521 C GLY A 93 -0.139 -8.500 16.995 1.00 42.25 C ATOM 1522 O GLY A 93 0.020 -9.159 15.962 1.00 30.23 O ATOM 0 H GLY A 93 1.006 -7.486 19.474 1.00 5.33 H new ATOM 0 HA2 GLY A 93 1.213 -9.557 18.297 1.00 25.05 H new ATOM 0 HA3 GLY A 93 -0.479 -9.907 18.590 1.00 25.05 H new ATOM 1526 N ASP A 94 -0.641 -7.249 16.993 1.00 62.02 N ATOM 1527 CA ASP A 94 -0.981 -6.503 15.752 1.00 64.52 C ATOM 1528 C ASP A 94 0.268 -6.042 14.964 1.00 63.32 C ATOM 1529 O ASP A 94 1.405 -6.101 15.451 1.00 0.01 O ATOM 1530 CB ASP A 94 -1.858 -5.267 16.093 1.00 44.22 C ATOM 1531 CG ASP A 94 -3.265 -5.638 16.589 1.00 4.33 C ATOM 1532 OD1 ASP A 94 -3.401 -6.067 17.759 1.00 20.41 O ATOM 1533 OD2 ASP A 94 -4.238 -5.492 15.815 1.00 31.21 O ATOM 0 H ASP A 94 -0.824 -6.723 17.847 1.00 62.02 H new ATOM 0 HA ASP A 94 -1.532 -7.195 15.115 1.00 64.52 H new ATOM 0 HB2 ASP A 94 -1.356 -4.673 16.857 1.00 44.22 H new ATOM 0 HB3 ASP A 94 -1.947 -4.638 15.207 1.00 44.22 H new ATOM 1538 N TYR A 95 0.010 -5.544 13.747 1.00 14.42 N ATOM 1539 CA TYR A 95 1.003 -4.870 12.888 1.00 64.34 C ATOM 1540 C TYR A 95 0.572 -3.399 12.660 1.00 10.20 C ATOM 1541 O TYR A 95 -0.582 -3.133 12.317 1.00 15.44 O ATOM 1542 CB TYR A 95 1.153 -5.634 11.514 1.00 15.42 C ATOM 1543 CG TYR A 95 2.473 -6.415 11.365 1.00 34.51 C ATOM 1544 CD1 TYR A 95 2.794 -7.471 12.219 1.00 4.42 C ATOM 1545 CD2 TYR A 95 3.402 -6.086 10.374 1.00 74.45 C ATOM 1546 CE1 TYR A 95 3.990 -8.159 12.089 1.00 42.35 C ATOM 1547 CE2 TYR A 95 4.592 -6.774 10.241 1.00 3.50 C ATOM 1548 CZ TYR A 95 4.884 -7.806 11.100 1.00 4.51 C ATOM 1549 OH TYR A 95 6.075 -8.492 10.973 1.00 74.40 O ATOM 0 H TYR A 95 -0.915 -5.598 13.320 1.00 14.42 H new ATOM 0 HA TYR A 95 1.975 -4.880 13.382 1.00 64.34 H new ATOM 0 HB2 TYR A 95 0.319 -6.328 11.404 1.00 15.42 H new ATOM 0 HB3 TYR A 95 1.077 -4.913 10.700 1.00 15.42 H new ATOM 0 HD1 TYR A 95 2.099 -7.757 12.994 1.00 4.42 H new ATOM 0 HD2 TYR A 95 3.184 -5.274 9.696 1.00 74.45 H new ATOM 0 HE1 TYR A 95 4.222 -8.971 12.762 1.00 42.35 H new ATOM 0 HE2 TYR A 95 5.291 -6.502 9.464 1.00 3.50 H new ATOM 0 HH TYR A 95 6.753 -7.902 10.582 1.00 74.40 H new ATOM 1559 N VAL A 96 1.511 -2.452 12.880 1.00 2.41 N ATOM 1560 CA VAL A 96 1.342 -1.047 12.475 1.00 20.35 C ATOM 1561 C VAL A 96 1.524 -0.961 10.947 1.00 73.45 C ATOM 1562 O VAL A 96 2.651 -0.937 10.447 1.00 15.44 O ATOM 1563 CB VAL A 96 2.387 -0.112 13.215 1.00 10.42 C ATOM 1564 CG1 VAL A 96 2.358 1.341 12.668 1.00 33.01 C ATOM 1565 CG2 VAL A 96 2.139 -0.127 14.743 1.00 64.54 C ATOM 0 H VAL A 96 2.401 -2.643 13.341 1.00 2.41 H new ATOM 0 HA VAL A 96 0.346 -0.702 12.754 1.00 20.35 H new ATOM 0 HB VAL A 96 3.381 -0.511 13.016 1.00 10.42 H new ATOM 0 HG11 VAL A 96 3.089 1.946 13.204 1.00 33.01 H new ATOM 0 HG12 VAL A 96 2.601 1.335 11.605 1.00 33.01 H new ATOM 0 HG13 VAL A 96 1.363 1.764 12.811 1.00 33.01 H new ATOM 0 HG21 VAL A 96 2.865 0.520 15.236 1.00 64.54 H new ATOM 0 HG22 VAL A 96 1.132 0.233 14.952 1.00 64.54 H new ATOM 0 HG23 VAL A 96 2.246 -1.145 15.119 1.00 64.54 H new ATOM 1575 N LEU A 97 0.400 -0.966 10.221 1.00 1.52 N ATOM 1576 CA LEU A 97 0.399 -0.942 8.750 1.00 13.10 C ATOM 1577 C LEU A 97 0.182 0.499 8.255 1.00 52.41 C ATOM 1578 O LEU A 97 -0.918 1.021 8.313 1.00 5.44 O ATOM 1579 CB LEU A 97 -0.710 -1.894 8.223 1.00 52.41 C ATOM 1580 CG LEU A 97 -0.801 -2.041 6.680 1.00 33.15 C ATOM 1581 CD1 LEU A 97 0.508 -2.602 6.099 1.00 41.33 C ATOM 1582 CD2 LEU A 97 -2.021 -2.893 6.261 1.00 60.33 C ATOM 0 H LEU A 97 -0.533 -0.987 10.633 1.00 1.52 H new ATOM 0 HA LEU A 97 1.360 -1.288 8.369 1.00 13.10 H new ATOM 0 HB2 LEU A 97 -0.548 -2.882 8.654 1.00 52.41 H new ATOM 0 HB3 LEU A 97 -1.672 -1.539 8.592 1.00 52.41 H new ATOM 0 HG LEU A 97 -0.947 -1.045 6.262 1.00 33.15 H new ATOM 0 HD11 LEU A 97 0.416 -2.694 5.017 1.00 41.33 H new ATOM 0 HD12 LEU A 97 1.330 -1.927 6.337 1.00 41.33 H new ATOM 0 HD13 LEU A 97 0.707 -3.583 6.531 1.00 41.33 H new ATOM 0 HD21 LEU A 97 -2.052 -2.974 5.174 1.00 60.33 H new ATOM 0 HD22 LEU A 97 -1.937 -3.888 6.697 1.00 60.33 H new ATOM 0 HD23 LEU A 97 -2.936 -2.418 6.616 1.00 60.33 H new ATOM 1594 N GLU A 98 1.241 1.110 7.724 1.00 13.20 N ATOM 1595 CA GLU A 98 1.242 2.530 7.326 1.00 33.12 C ATOM 1596 C GLU A 98 1.195 2.634 5.796 1.00 20.02 C ATOM 1597 O GLU A 98 2.185 2.350 5.112 1.00 1.44 O ATOM 1598 CB GLU A 98 2.514 3.223 7.891 1.00 63.24 C ATOM 1599 CG GLU A 98 2.500 3.499 9.417 1.00 11.25 C ATOM 1600 CD GLU A 98 2.016 4.916 9.782 1.00 54.03 C ATOM 1601 OE1 GLU A 98 0.787 5.141 9.888 1.00 14.23 O ATOM 1602 OE2 GLU A 98 2.870 5.822 9.950 1.00 23.54 O ATOM 0 H GLU A 98 2.129 0.638 7.554 1.00 13.20 H new ATOM 0 HA GLU A 98 0.364 3.032 7.732 1.00 33.12 H new ATOM 0 HB2 GLU A 98 3.379 2.601 7.660 1.00 63.24 H new ATOM 0 HB3 GLU A 98 2.653 4.170 7.369 1.00 63.24 H new ATOM 0 HG2 GLU A 98 1.856 2.767 9.904 1.00 11.25 H new ATOM 0 HG3 GLU A 98 3.505 3.354 9.814 1.00 11.25 H new ATOM 1609 N ILE A 99 0.031 3.018 5.262 1.00 55.34 N ATOM 1610 CA ILE A 99 -0.114 3.349 3.833 1.00 35.24 C ATOM 1611 C ILE A 99 0.024 4.869 3.694 1.00 13.34 C ATOM 1612 O ILE A 99 -0.815 5.638 4.184 1.00 22.32 O ATOM 1613 CB ILE A 99 -1.490 2.820 3.228 1.00 61.44 C ATOM 1614 CG1 ILE A 99 -1.404 1.299 2.860 1.00 50.53 C ATOM 1615 CG2 ILE A 99 -1.954 3.634 1.980 1.00 22.52 C ATOM 1616 CD1 ILE A 99 -1.075 0.357 3.996 1.00 75.51 C ATOM 0 H ILE A 99 -0.832 3.109 5.798 1.00 55.34 H new ATOM 0 HA ILE A 99 0.664 2.847 3.258 1.00 35.24 H new ATOM 0 HB ILE A 99 -2.234 2.960 4.012 1.00 61.44 H new ATOM 0 HG12 ILE A 99 -2.358 0.996 2.429 1.00 50.53 H new ATOM 0 HG13 ILE A 99 -0.649 1.176 2.083 1.00 50.53 H new ATOM 0 HG21 ILE A 99 -2.896 3.229 1.611 1.00 22.52 H new ATOM 0 HG22 ILE A 99 -2.092 4.679 2.258 1.00 22.52 H new ATOM 0 HG23 ILE A 99 -1.198 3.564 1.198 1.00 22.52 H new ATOM 0 HD11 ILE A 99 -1.043 -0.666 3.622 1.00 75.51 H new ATOM 0 HD12 ILE A 99 -0.105 0.620 4.418 1.00 75.51 H new ATOM 0 HD13 ILE A 99 -1.840 0.437 4.768 1.00 75.51 H new ATOM 1628 N THR A 100 1.109 5.280 3.050 1.00 14.32 N ATOM 1629 CA THR A 100 1.418 6.679 2.789 1.00 0.15 C ATOM 1630 C THR A 100 0.985 7.037 1.354 1.00 42.23 C ATOM 1631 O THR A 100 1.673 6.716 0.376 1.00 24.11 O ATOM 1632 CB THR A 100 2.939 6.950 3.016 1.00 44.05 C ATOM 1633 OG1 THR A 100 3.286 6.710 4.393 1.00 24.12 O ATOM 1634 CG2 THR A 100 3.364 8.372 2.625 1.00 1.42 C ATOM 0 H THR A 100 1.813 4.637 2.687 1.00 14.32 H new ATOM 0 HA THR A 100 0.868 7.314 3.483 1.00 0.15 H new ATOM 0 HB THR A 100 3.475 6.261 2.363 1.00 44.05 H new ATOM 0 HG1 THR A 100 4.242 6.881 4.524 1.00 24.12 H new ATOM 0 HG21 THR A 100 4.432 8.496 2.807 1.00 1.42 H new ATOM 0 HG22 THR A 100 3.154 8.537 1.568 1.00 1.42 H new ATOM 0 HG23 THR A 100 2.808 9.095 3.222 1.00 1.42 H new ATOM 1642 N ASP A 101 -0.186 7.668 1.247 1.00 74.34 N ATOM 1643 CA ASP A 101 -0.780 8.077 -0.034 1.00 4.33 C ATOM 1644 C ASP A 101 -0.778 9.615 -0.143 1.00 24.23 C ATOM 1645 O ASP A 101 -0.779 10.320 0.870 1.00 65.14 O ATOM 1646 CB ASP A 101 -2.221 7.514 -0.134 1.00 50.11 C ATOM 1647 CG ASP A 101 -2.891 7.819 -1.482 1.00 72.00 C ATOM 1648 OD1 ASP A 101 -2.454 7.246 -2.508 1.00 74.32 O ATOM 1649 OD2 ASP A 101 -3.837 8.638 -1.531 1.00 0.11 O ATOM 0 H ASP A 101 -0.758 7.914 2.055 1.00 74.34 H new ATOM 0 HA ASP A 101 -0.192 7.677 -0.860 1.00 4.33 H new ATOM 0 HB2 ASP A 101 -2.195 6.435 0.017 1.00 50.11 H new ATOM 0 HB3 ASP A 101 -2.826 7.934 0.670 1.00 50.11 H new ATOM 1654 N PHE A 102 -0.773 10.132 -1.377 1.00 0.13 N ATOM 1655 CA PHE A 102 -0.873 11.576 -1.639 1.00 41.31 C ATOM 1656 C PHE A 102 -2.250 11.902 -2.247 1.00 13.53 C ATOM 1657 O PHE A 102 -2.619 11.383 -3.303 1.00 3.14 O ATOM 1658 CB PHE A 102 0.297 12.056 -2.545 1.00 73.31 C ATOM 1659 CG PHE A 102 0.503 11.281 -3.864 1.00 23.44 C ATOM 1660 CD1 PHE A 102 1.253 10.103 -3.895 1.00 32.23 C ATOM 1661 CD2 PHE A 102 -0.041 11.736 -5.069 1.00 42.43 C ATOM 1662 CE1 PHE A 102 1.442 9.405 -5.077 1.00 14.11 C ATOM 1663 CE2 PHE A 102 0.151 11.038 -6.248 1.00 73.04 C ATOM 1664 CZ PHE A 102 0.892 9.873 -6.252 1.00 10.13 C ATOM 0 H PHE A 102 -0.700 9.565 -2.221 1.00 0.13 H new ATOM 0 HA PHE A 102 -0.786 12.119 -0.698 1.00 41.31 H new ATOM 0 HB2 PHE A 102 0.134 13.106 -2.787 1.00 73.31 H new ATOM 0 HB3 PHE A 102 1.221 12.002 -1.969 1.00 73.31 H new ATOM 0 HD1 PHE A 102 1.693 9.730 -2.982 1.00 32.23 H new ATOM 0 HD2 PHE A 102 -0.621 12.647 -5.080 1.00 42.43 H new ATOM 0 HE1 PHE A 102 2.021 8.493 -5.078 1.00 14.11 H new ATOM 0 HE2 PHE A 102 -0.280 11.405 -7.168 1.00 73.04 H new ATOM 0 HZ PHE A 102 1.041 9.329 -7.173 1.00 10.13 H new ATOM 1674 N SER A 103 -3.013 12.752 -1.548 1.00 62.22 N ATOM 1675 CA SER A 103 -4.343 13.222 -1.987 1.00 54.12 C ATOM 1676 C SER A 103 -4.518 14.694 -1.603 1.00 43.40 C ATOM 1677 O SER A 103 -4.314 15.053 -0.446 1.00 41.51 O ATOM 1678 CB SER A 103 -5.470 12.357 -1.355 1.00 54.33 C ATOM 1679 OG SER A 103 -5.545 11.080 -1.970 1.00 23.13 O ATOM 0 H SER A 103 -2.725 13.140 -0.650 1.00 62.22 H new ATOM 0 HA SER A 103 -4.412 13.123 -3.070 1.00 54.12 H new ATOM 0 HB2 SER A 103 -5.285 12.239 -0.287 1.00 54.33 H new ATOM 0 HB3 SER A 103 -6.426 12.870 -1.458 1.00 54.33 H new ATOM 0 HG SER A 103 -4.822 10.511 -1.632 1.00 23.13 H new ATOM 1685 N GLU A 104 -4.882 15.554 -2.580 1.00 74.31 N ATOM 1686 CA GLU A 104 -5.084 17.004 -2.333 1.00 54.30 C ATOM 1687 C GLU A 104 -6.320 17.271 -1.434 1.00 73.14 C ATOM 1688 O GLU A 104 -7.070 16.348 -1.128 1.00 51.04 O ATOM 1689 CB GLU A 104 -5.164 17.787 -3.672 1.00 21.14 C ATOM 1690 CG GLU A 104 -6.196 17.294 -4.695 1.00 52.33 C ATOM 1691 CD GLU A 104 -6.141 18.111 -6.002 1.00 63.33 C ATOM 1692 OE1 GLU A 104 -6.685 19.238 -6.036 1.00 30.13 O ATOM 1693 OE2 GLU A 104 -5.493 17.661 -6.973 1.00 21.01 O ATOM 0 H GLU A 104 -5.042 15.272 -3.547 1.00 74.31 H new ATOM 0 HA GLU A 104 -4.216 17.370 -1.785 1.00 54.30 H new ATOM 0 HB2 GLU A 104 -5.382 18.830 -3.444 1.00 21.14 H new ATOM 0 HB3 GLU A 104 -4.180 17.762 -4.141 1.00 21.14 H new ATOM 0 HG2 GLU A 104 -6.015 16.242 -4.916 1.00 52.33 H new ATOM 0 HG3 GLU A 104 -7.195 17.362 -4.265 1.00 52.33 H new ATOM 1700 N ALA A 105 -6.497 18.537 -1.000 1.00 13.21 N ATOM 1701 CA ALA A 105 -7.591 18.953 -0.065 1.00 41.11 C ATOM 1702 C ALA A 105 -9.011 18.451 -0.478 1.00 23.52 C ATOM 1703 O ALA A 105 -9.823 18.084 0.382 1.00 41.00 O ATOM 1704 CB ALA A 105 -7.583 20.484 0.091 1.00 32.41 C ATOM 0 H ALA A 105 -5.891 19.308 -1.282 1.00 13.21 H new ATOM 0 HA ALA A 105 -7.380 18.473 0.890 1.00 41.11 H new ATOM 0 HB1 ALA A 105 -8.380 20.785 0.772 1.00 32.41 H new ATOM 0 HB2 ALA A 105 -6.622 20.804 0.494 1.00 32.41 H new ATOM 0 HB3 ALA A 105 -7.742 20.950 -0.882 1.00 32.41 H new ATOM 1710 N ASP A 106 -9.281 18.420 -1.800 1.00 12.24 N ATOM 1711 CA ASP A 106 -10.561 17.914 -2.365 1.00 22.32 C ATOM 1712 C ASP A 106 -10.730 16.386 -2.120 1.00 40.14 C ATOM 1713 O ASP A 106 -11.820 15.909 -1.803 1.00 62.43 O ATOM 1714 CB ASP A 106 -10.624 18.235 -3.883 1.00 41.04 C ATOM 1715 CG ASP A 106 -11.985 17.883 -4.520 1.00 32.33 C ATOM 1716 OD1 ASP A 106 -12.916 18.707 -4.446 1.00 55.14 O ATOM 1717 OD2 ASP A 106 -12.130 16.782 -5.094 1.00 71.33 O ATOM 0 H ASP A 106 -8.623 18.743 -2.509 1.00 12.24 H new ATOM 0 HA ASP A 106 -11.383 18.417 -1.856 1.00 22.32 H new ATOM 0 HB2 ASP A 106 -10.423 19.296 -4.033 1.00 41.04 H new ATOM 0 HB3 ASP A 106 -9.836 17.686 -4.398 1.00 41.04 H new ATOM 1722 N GLU A 107 -9.617 15.652 -2.225 1.00 24.42 N ATOM 1723 CA GLU A 107 -9.590 14.170 -2.149 1.00 3.41 C ATOM 1724 C GLU A 107 -9.372 13.666 -0.698 1.00 12.34 C ATOM 1725 O GLU A 107 -9.686 12.513 -0.382 1.00 55.13 O ATOM 1726 CB GLU A 107 -8.433 13.649 -3.043 1.00 70.14 C ATOM 1727 CG GLU A 107 -8.526 14.024 -4.538 1.00 51.11 C ATOM 1728 CD GLU A 107 -9.705 13.348 -5.260 1.00 42.32 C ATOM 1729 OE1 GLU A 107 -9.649 12.113 -5.472 1.00 72.22 O ATOM 1730 OE2 GLU A 107 -10.684 14.037 -5.621 1.00 70.23 O ATOM 0 H GLU A 107 -8.695 16.065 -2.367 1.00 24.42 H new ATOM 0 HA GLU A 107 -10.554 13.794 -2.491 1.00 3.41 H new ATOM 0 HB2 GLU A 107 -7.492 14.032 -2.648 1.00 70.14 H new ATOM 0 HB3 GLU A 107 -8.395 12.563 -2.961 1.00 70.14 H new ATOM 0 HG2 GLU A 107 -8.624 15.106 -4.629 1.00 51.11 H new ATOM 0 HG3 GLU A 107 -7.596 13.746 -5.034 1.00 51.11 H new ATOM 1737 N ALA A 108 -8.812 14.547 0.162 1.00 52.10 N ATOM 1738 CA ALA A 108 -8.343 14.192 1.526 1.00 4.13 C ATOM 1739 C ALA A 108 -9.478 13.687 2.444 1.00 43.42 C ATOM 1740 O ALA A 108 -9.359 12.619 3.038 1.00 42.21 O ATOM 1741 CB ALA A 108 -7.635 15.397 2.171 1.00 3.14 C ATOM 0 H ALA A 108 -8.671 15.530 -0.070 1.00 52.10 H new ATOM 0 HA ALA A 108 -7.641 13.366 1.413 1.00 4.13 H new ATOM 0 HB1 ALA A 108 -7.295 15.127 3.171 1.00 3.14 H new ATOM 0 HB2 ALA A 108 -6.778 15.685 1.562 1.00 3.14 H new ATOM 0 HB3 ALA A 108 -8.330 16.234 2.238 1.00 3.14 H new ATOM 1747 N ASP A 109 -10.577 14.457 2.535 1.00 10.52 N ATOM 1748 CA ASP A 109 -11.728 14.144 3.431 1.00 14.15 C ATOM 1749 C ASP A 109 -12.419 12.808 3.075 1.00 43.04 C ATOM 1750 O ASP A 109 -12.891 12.086 3.962 1.00 42.43 O ATOM 1751 CB ASP A 109 -12.750 15.295 3.383 1.00 33.14 C ATOM 1752 CG ASP A 109 -12.120 16.612 3.840 1.00 55.20 C ATOM 1753 OD1 ASP A 109 -11.521 17.314 2.998 1.00 21.32 O ATOM 1754 OD2 ASP A 109 -12.174 16.925 5.046 1.00 14.43 O ATOM 0 H ASP A 109 -10.702 15.313 1.995 1.00 10.52 H new ATOM 0 HA ASP A 109 -11.331 14.035 4.440 1.00 14.15 H new ATOM 0 HB2 ASP A 109 -13.132 15.404 2.368 1.00 33.14 H new ATOM 0 HB3 ASP A 109 -13.602 15.056 4.020 1.00 33.14 H new ATOM 1759 N ASP A 110 -12.478 12.505 1.770 1.00 33.53 N ATOM 1760 CA ASP A 110 -13.062 11.245 1.250 1.00 2.21 C ATOM 1761 C ASP A 110 -12.129 10.046 1.509 1.00 0.15 C ATOM 1762 O ASP A 110 -12.589 8.912 1.667 1.00 1.04 O ATOM 1763 CB ASP A 110 -13.384 11.403 -0.251 1.00 33.32 C ATOM 1764 CG ASP A 110 -14.353 12.567 -0.481 1.00 0.43 C ATOM 1765 OD1 ASP A 110 -15.582 12.355 -0.401 1.00 65.44 O ATOM 1766 OD2 ASP A 110 -13.890 13.712 -0.674 1.00 4.32 O ATOM 0 H ASP A 110 -12.124 13.122 1.039 1.00 33.53 H new ATOM 0 HA ASP A 110 -13.990 11.041 1.783 1.00 2.21 H new ATOM 0 HB2 ASP A 110 -12.463 11.575 -0.809 1.00 33.32 H new ATOM 0 HB3 ASP A 110 -13.820 10.480 -0.633 1.00 33.32 H new ATOM 1771 N LEU A 111 -10.814 10.324 1.569 1.00 23.43 N ATOM 1772 CA LEU A 111 -9.788 9.337 1.975 1.00 24.42 C ATOM 1773 C LEU A 111 -9.918 9.064 3.506 1.00 13.35 C ATOM 1774 O LEU A 111 -9.700 7.944 3.957 1.00 52.30 O ATOM 1775 CB LEU A 111 -8.354 9.868 1.587 1.00 23.33 C ATOM 1776 CG LEU A 111 -7.242 8.809 1.241 1.00 45.14 C ATOM 1777 CD1 LEU A 111 -6.863 7.919 2.444 1.00 31.35 C ATOM 1778 CD2 LEU A 111 -7.658 7.955 0.023 1.00 32.04 C ATOM 0 H LEU A 111 -10.429 11.240 1.338 1.00 23.43 H new ATOM 0 HA LEU A 111 -9.939 8.394 1.450 1.00 24.42 H new ATOM 0 HB2 LEU A 111 -8.464 10.529 0.728 1.00 23.33 H new ATOM 0 HB3 LEU A 111 -7.989 10.478 2.414 1.00 23.33 H new ATOM 0 HG LEU A 111 -6.344 9.370 0.982 1.00 45.14 H new ATOM 0 HD11 LEU A 111 -6.092 7.209 2.143 1.00 31.35 H new ATOM 0 HD12 LEU A 111 -6.485 8.543 3.254 1.00 31.35 H new ATOM 0 HD13 LEU A 111 -7.744 7.375 2.786 1.00 31.35 H new ATOM 0 HD21 LEU A 111 -6.874 7.230 -0.198 1.00 32.04 H new ATOM 0 HD22 LEU A 111 -8.586 7.429 0.247 1.00 32.04 H new ATOM 0 HD23 LEU A 111 -7.807 8.602 -0.841 1.00 32.04 H new ATOM 1790 N LYS A 112 -10.308 10.104 4.290 1.00 43.20 N ATOM 1791 CA LYS A 112 -10.518 9.985 5.761 1.00 73.24 C ATOM 1792 C LYS A 112 -11.775 9.131 6.084 1.00 61.21 C ATOM 1793 O LYS A 112 -11.793 8.391 7.074 1.00 70.25 O ATOM 1794 CB LYS A 112 -10.654 11.389 6.425 1.00 53.03 C ATOM 1795 CG LYS A 112 -9.472 12.357 6.179 1.00 24.22 C ATOM 1796 CD LYS A 112 -8.111 11.820 6.687 1.00 31.42 C ATOM 1797 CE LYS A 112 -6.954 12.813 6.450 1.00 64.04 C ATOM 1798 NZ LYS A 112 -7.186 14.120 7.127 1.00 61.40 N ATOM 0 H LYS A 112 -10.485 11.040 3.926 1.00 43.20 H new ATOM 0 HA LYS A 112 -9.641 9.485 6.171 1.00 73.24 H new ATOM 0 HB2 LYS A 112 -11.568 11.858 6.060 1.00 53.03 H new ATOM 0 HB3 LYS A 112 -10.773 11.254 7.500 1.00 53.03 H new ATOM 0 HG2 LYS A 112 -9.397 12.560 5.111 1.00 24.22 H new ATOM 0 HG3 LYS A 112 -9.684 13.307 6.670 1.00 24.22 H new ATOM 0 HD2 LYS A 112 -8.185 11.603 7.753 1.00 31.42 H new ATOM 0 HD3 LYS A 112 -7.886 10.879 6.185 1.00 31.42 H new ATOM 0 HE2 LYS A 112 -6.023 12.377 6.814 1.00 64.04 H new ATOM 0 HE3 LYS A 112 -6.832 12.977 5.379 1.00 64.04 H new ATOM 0 HZ1 LYS A 112 -6.318 14.692 7.085 1.00 61.40 H new ATOM 0 HZ2 LYS A 112 -7.958 14.627 6.648 1.00 61.40 H new ATOM 0 HZ3 LYS A 112 -7.444 13.955 8.121 1.00 61.40 H new ATOM 1812 N GLU A 113 -12.824 9.265 5.246 1.00 64.21 N ATOM 1813 CA GLU A 113 -14.062 8.446 5.361 1.00 32.34 C ATOM 1814 C GLU A 113 -13.809 6.988 4.906 1.00 35.12 C ATOM 1815 O GLU A 113 -14.302 6.049 5.530 1.00 34.03 O ATOM 1816 CB GLU A 113 -15.229 9.082 4.552 1.00 54.31 C ATOM 1817 CG GLU A 113 -16.552 8.264 4.525 1.00 20.11 C ATOM 1818 CD GLU A 113 -17.137 7.950 5.923 1.00 3.41 C ATOM 1819 OE1 GLU A 113 -17.686 8.868 6.570 1.00 54.31 O ATOM 1820 OE2 GLU A 113 -17.077 6.777 6.368 1.00 24.13 O ATOM 0 H GLU A 113 -12.844 9.934 4.477 1.00 64.21 H new ATOM 0 HA GLU A 113 -14.351 8.426 6.412 1.00 32.34 H new ATOM 0 HB2 GLU A 113 -15.440 10.067 4.967 1.00 54.31 H new ATOM 0 HB3 GLU A 113 -14.895 9.234 3.525 1.00 54.31 H new ATOM 0 HG2 GLU A 113 -17.295 8.816 3.949 1.00 20.11 H new ATOM 0 HG3 GLU A 113 -16.374 7.326 4.000 1.00 20.11 H new ATOM 1827 N LEU A 114 -13.035 6.815 3.815 1.00 4.31 N ATOM 1828 CA LEU A 114 -12.569 5.475 3.355 1.00 14.23 C ATOM 1829 C LEU A 114 -11.765 4.769 4.478 1.00 72.42 C ATOM 1830 O LEU A 114 -11.946 3.576 4.742 1.00 53.11 O ATOM 1831 CB LEU A 114 -11.703 5.633 2.074 1.00 73.12 C ATOM 1832 CG LEU A 114 -11.073 4.325 1.483 1.00 3.40 C ATOM 1833 CD1 LEU A 114 -12.155 3.282 1.109 1.00 1.11 C ATOM 1834 CD2 LEU A 114 -10.158 4.647 0.273 1.00 33.13 C ATOM 0 H LEU A 114 -12.714 7.586 3.229 1.00 4.31 H new ATOM 0 HA LEU A 114 -13.435 4.857 3.119 1.00 14.23 H new ATOM 0 HB2 LEU A 114 -12.319 6.093 1.301 1.00 73.12 H new ATOM 0 HB3 LEU A 114 -10.895 6.330 2.294 1.00 73.12 H new ATOM 0 HG LEU A 114 -10.455 3.879 2.263 1.00 3.40 H new ATOM 0 HD11 LEU A 114 -11.676 2.391 0.703 1.00 1.11 H new ATOM 0 HD12 LEU A 114 -12.725 3.015 1.998 1.00 1.11 H new ATOM 0 HD13 LEU A 114 -12.826 3.706 0.362 1.00 1.11 H new ATOM 0 HD21 LEU A 114 -9.733 3.722 -0.118 1.00 33.13 H new ATOM 0 HD22 LEU A 114 -10.743 5.136 -0.506 1.00 33.13 H new ATOM 0 HD23 LEU A 114 -9.353 5.309 0.592 1.00 33.13 H new ATOM 1846 N TRP A 115 -10.904 5.557 5.142 1.00 70.34 N ATOM 1847 CA TRP A 115 -10.135 5.138 6.331 1.00 75.13 C ATOM 1848 C TRP A 115 -11.083 4.733 7.496 1.00 33.41 C ATOM 1849 O TRP A 115 -10.892 3.679 8.111 1.00 74.23 O ATOM 1850 CB TRP A 115 -9.147 6.287 6.736 1.00 31.24 C ATOM 1851 CG TRP A 115 -8.673 6.283 8.176 1.00 0.11 C ATOM 1852 CD1 TRP A 115 -8.825 7.295 9.091 1.00 52.51 C ATOM 1853 CD2 TRP A 115 -7.997 5.222 8.871 1.00 64.30 C ATOM 1854 NE1 TRP A 115 -8.294 6.926 10.297 1.00 52.32 N ATOM 1855 CE2 TRP A 115 -7.790 5.659 10.192 1.00 11.42 C ATOM 1856 CE3 TRP A 115 -7.565 3.942 8.512 1.00 4.14 C ATOM 1857 CZ2 TRP A 115 -7.165 4.870 11.142 1.00 74.32 C ATOM 1858 CZ3 TRP A 115 -6.948 3.161 9.460 1.00 20.41 C ATOM 1859 CH2 TRP A 115 -6.758 3.629 10.760 1.00 23.51 C ATOM 0 H TRP A 115 -10.718 6.521 4.865 1.00 70.34 H new ATOM 0 HA TRP A 115 -9.548 4.251 6.094 1.00 75.13 H new ATOM 0 HB2 TRP A 115 -8.273 6.232 6.087 1.00 31.24 H new ATOM 0 HB3 TRP A 115 -9.632 7.243 6.537 1.00 31.24 H new ATOM 0 HD1 TRP A 115 -9.296 8.246 8.888 1.00 52.51 H new ATOM 0 HE1 TRP A 115 -8.277 7.503 11.138 1.00 52.32 H new ATOM 0 HE3 TRP A 115 -7.713 3.573 7.508 1.00 4.14 H new ATOM 0 HZ2 TRP A 115 -7.006 5.226 12.149 1.00 74.32 H new ATOM 0 HZ3 TRP A 115 -6.606 2.172 9.195 1.00 20.41 H new ATOM 0 HH2 TRP A 115 -6.275 2.989 11.483 1.00 23.51 H new ATOM 1870 N ASP A 116 -12.107 5.569 7.769 1.00 72.21 N ATOM 1871 CA ASP A 116 -13.100 5.318 8.844 1.00 35.33 C ATOM 1872 C ASP A 116 -13.859 3.993 8.590 1.00 41.14 C ATOM 1873 O ASP A 116 -14.106 3.219 9.516 1.00 3.11 O ATOM 1874 CB ASP A 116 -14.099 6.500 8.954 1.00 74.22 C ATOM 1875 CG ASP A 116 -14.981 6.412 10.213 1.00 15.31 C ATOM 1876 OD1 ASP A 116 -14.527 6.851 11.293 1.00 30.31 O ATOM 1877 OD2 ASP A 116 -16.110 5.874 10.145 1.00 72.41 O ATOM 0 H ASP A 116 -12.271 6.434 7.255 1.00 72.21 H new ATOM 0 HA ASP A 116 -12.562 5.231 9.788 1.00 35.33 H new ATOM 0 HB2 ASP A 116 -13.546 7.439 8.967 1.00 74.22 H new ATOM 0 HB3 ASP A 116 -14.735 6.517 8.069 1.00 74.22 H new ATOM 1882 N SER A 117 -14.180 3.745 7.311 1.00 75.44 N ATOM 1883 CA SER A 117 -14.863 2.514 6.857 1.00 60.31 C ATOM 1884 C SER A 117 -14.021 1.253 7.150 1.00 72.13 C ATOM 1885 O SER A 117 -14.561 0.214 7.522 1.00 20.21 O ATOM 1886 CB SER A 117 -15.178 2.610 5.346 1.00 12.14 C ATOM 1887 OG SER A 117 -16.024 3.714 5.066 1.00 64.02 O ATOM 0 H SER A 117 -13.973 4.396 6.553 1.00 75.44 H new ATOM 0 HA SER A 117 -15.795 2.424 7.415 1.00 60.31 H new ATOM 0 HB2 SER A 117 -14.249 2.709 4.784 1.00 12.14 H new ATOM 0 HB3 SER A 117 -15.656 1.689 5.012 1.00 12.14 H new ATOM 0 HG SER A 117 -15.527 4.548 5.198 1.00 64.02 H new ATOM 1893 N GLN A 118 -12.689 1.368 6.986 1.00 3.33 N ATOM 1894 CA GLN A 118 -11.749 0.248 7.223 1.00 64.32 C ATOM 1895 C GLN A 118 -11.529 -0.002 8.732 1.00 40.43 C ATOM 1896 O GLN A 118 -11.701 -1.121 9.197 1.00 31.33 O ATOM 1897 CB GLN A 118 -10.394 0.503 6.502 1.00 10.21 C ATOM 1898 CG GLN A 118 -10.500 0.660 4.966 1.00 63.11 C ATOM 1899 CD GLN A 118 -11.204 -0.519 4.273 1.00 52.41 C ATOM 1900 OE1 GLN A 118 -10.579 -1.496 3.878 1.00 33.11 O ATOM 1901 NE2 GLN A 118 -12.518 -0.426 4.116 1.00 1.45 N ATOM 0 H GLN A 118 -12.234 2.231 6.688 1.00 3.33 H new ATOM 0 HA GLN A 118 -12.199 -0.652 6.804 1.00 64.32 H new ATOM 0 HB2 GLN A 118 -9.942 1.404 6.916 1.00 10.21 H new ATOM 0 HB3 GLN A 118 -9.719 -0.323 6.724 1.00 10.21 H new ATOM 0 HG2 GLN A 118 -11.041 1.579 4.740 1.00 63.11 H new ATOM 0 HG3 GLN A 118 -9.498 0.769 4.550 1.00 63.11 H new ATOM 0 HE21 GLN A 118 -13.015 0.398 4.454 1.00 1.45 H new ATOM 0 HE22 GLN A 118 -13.031 -1.179 3.657 1.00 1.45 H new ATOM 1910 N VAL A 119 -11.196 1.056 9.492 1.00 23.24 N ATOM 1911 CA VAL A 119 -10.822 0.928 10.924 1.00 65.53 C ATOM 1912 C VAL A 119 -12.031 0.513 11.816 1.00 71.31 C ATOM 1913 O VAL A 119 -11.852 -0.203 12.804 1.00 60.51 O ATOM 1914 CB VAL A 119 -10.142 2.245 11.463 1.00 1.35 C ATOM 1915 CG1 VAL A 119 -11.103 3.455 11.439 1.00 55.42 C ATOM 1916 CG2 VAL A 119 -9.525 2.040 12.873 1.00 64.14 C ATOM 0 H VAL A 119 -11.176 2.014 9.143 1.00 23.24 H new ATOM 0 HA VAL A 119 -10.089 0.123 10.985 1.00 65.53 H new ATOM 0 HB VAL A 119 -9.326 2.474 10.778 1.00 1.35 H new ATOM 0 HG11 VAL A 119 -10.587 4.337 11.820 1.00 55.42 H new ATOM 0 HG12 VAL A 119 -11.430 3.639 10.416 1.00 55.42 H new ATOM 0 HG13 VAL A 119 -11.970 3.243 12.065 1.00 55.42 H new ATOM 0 HG21 VAL A 119 -9.067 2.970 13.208 1.00 64.14 H new ATOM 0 HG22 VAL A 119 -10.307 1.748 13.574 1.00 64.14 H new ATOM 0 HG23 VAL A 119 -8.767 1.258 12.828 1.00 64.14 H new