USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 876 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 99 MET CE :methyl 163:sc= -1.61 (180deg=-3.61!) USER MOD Set 1.2: A 104 SER OG : rot 170:sc= -0.137 USER MOD Set 2.1: A 90 SER OG : rot -35:sc= 0.778 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 70 THR OG1 : rot 180:sc= -0.384! USER MOD Set 3.2: A 88 ASN : amide:sc= -8.92! C(o=-9.3!,f=-15!) USER MOD Set 4.1: A 21 ASN : amide:sc= -7.25! C(o=-13!,f=-20!) USER MOD Set 4.2: A 25 MET CE :methyl 146:sc= -5.67! (180deg=-7.27!) USER MOD Single : A 10 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.89) USER MOD Single : A 15 HIS : no HD1:sc= -3.52 K(o=-3.5,f=-9.8!) USER MOD Single : A 27 GLN : amide:sc= -3.59! C(o=-3.6!,f=-4.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.621) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -16:sc= 0.835 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -57:sc= 0.683 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= -3.58! (180deg=-4.03!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 168:sc= -9.45! (180deg=-9.63!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.273 USER MOD Single : A 60 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= -1.31! (180deg=-3.12!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= -3.45! (180deg=-6.67!) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0215) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 142:sc= -12.2! (180deg=-17.9!) USER MOD Single : A 106 THR OG1 : rot -51:sc= 0.548 USER MOD Single : A 123 THR OG1 : rot 35:sc= 0.664 USER MOD ----------------------------------------------------------------- ATOM 56 N ALA A 9 -14.369 4.028 -0.504 1.00 0.33 N ATOM 57 CA ALA A 9 -13.972 3.777 0.872 1.00 0.33 C ATOM 58 C ALA A 9 -13.180 4.950 1.443 1.00 0.43 C ATOM 59 O ALA A 9 -13.074 6.007 0.819 1.00 1.08 O ATOM 60 CB ALA A 9 -13.160 2.497 0.944 1.00 0.26 C ATOM 0 HA ALA A 9 -14.872 3.664 1.477 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -12.864 2.312 1.976 1.00 0.26 H new ATOM 0 HB2 ALA A 9 -13.763 1.663 0.584 1.00 0.26 H new ATOM 0 HB3 ALA A 9 -12.269 2.596 0.323 1.00 0.26 H new ATOM 66 N ASN A 10 -12.627 4.760 2.635 1.00 0.33 N ATOM 67 CA ASN A 10 -11.850 5.805 3.289 1.00 0.33 C ATOM 68 C ASN A 10 -10.444 5.901 2.701 1.00 0.24 C ATOM 69 O ASN A 10 -9.469 6.072 3.433 1.00 0.27 O ATOM 70 CB ASN A 10 -11.769 5.545 4.794 1.00 0.44 C ATOM 71 CG ASN A 10 -13.122 5.643 5.474 1.00 0.88 C ATOM 72 OD1 ASN A 10 -13.997 6.389 5.036 1.00 1.75 O ATOM 73 ND2 ASN A 10 -13.297 4.889 6.552 1.00 1.39 N ATOM 0 H ASN A 10 -12.702 3.893 3.167 1.00 0.33 H new ATOM 0 HA ASN A 10 -12.357 6.754 3.116 1.00 0.33 H new ATOM 0 HB2 ASN A 10 -11.350 4.553 4.966 1.00 0.44 H new ATOM 0 HB3 ASN A 10 -11.085 6.263 5.247 1.00 0.44 H new ATOM 0 HD21 ASN A 10 -14.185 4.914 7.053 1.00 1.39 H new ATOM 0 HD22 ASN A 10 -12.543 4.285 6.880 1.00 1.39 H new ATOM 80 N LEU A 11 -10.341 5.788 1.378 1.00 0.16 N ATOM 81 CA LEU A 11 -9.050 5.874 0.705 1.00 0.12 C ATOM 82 C LEU A 11 -8.412 7.220 0.958 1.00 0.12 C ATOM 83 O LEU A 11 -7.212 7.393 0.801 1.00 0.22 O ATOM 84 CB LEU A 11 -9.210 5.735 -0.799 1.00 0.11 C ATOM 85 CG LEU A 11 -10.056 4.571 -1.280 1.00 0.12 C ATOM 86 CD1 LEU A 11 -10.742 4.945 -2.575 1.00 0.14 C ATOM 87 CD2 LEU A 11 -9.210 3.328 -1.479 1.00 0.11 C ATOM 0 H LEU A 11 -11.134 5.637 0.754 1.00 0.16 H new ATOM 0 HA LEU A 11 -8.431 5.068 1.099 1.00 0.12 H new ATOM 0 HB2 LEU A 11 -9.646 6.657 -1.183 1.00 0.11 H new ATOM 0 HB3 LEU A 11 -8.218 5.643 -1.242 1.00 0.11 H new ATOM 0 HG LEU A 11 -10.806 4.350 -0.520 1.00 0.12 H new ATOM 0 HD11 LEU A 11 -11.349 4.108 -2.920 1.00 0.14 H new ATOM 0 HD12 LEU A 11 -11.380 5.813 -2.411 1.00 0.14 H new ATOM 0 HD13 LEU A 11 -9.991 5.183 -3.329 1.00 0.14 H new ATOM 0 HD21 LEU A 11 -9.842 2.509 -1.824 1.00 0.11 H new ATOM 0 HD22 LEU A 11 -8.438 3.528 -2.222 1.00 0.11 H new ATOM 0 HD23 LEU A 11 -8.742 3.052 -0.534 1.00 0.11 H new ATOM 99 N ARG A 12 -9.249 8.173 1.307 1.00 0.12 N ATOM 100 CA ARG A 12 -8.812 9.537 1.556 1.00 0.13 C ATOM 101 C ARG A 12 -7.884 9.597 2.755 1.00 0.13 C ATOM 102 O ARG A 12 -6.939 10.385 2.782 1.00 0.24 O ATOM 103 CB ARG A 12 -10.027 10.456 1.752 1.00 0.17 C ATOM 104 CG ARG A 12 -11.361 9.843 1.318 1.00 0.42 C ATOM 105 CD ARG A 12 -11.349 9.404 -0.144 1.00 0.27 C ATOM 106 NE ARG A 12 -11.174 10.532 -1.055 1.00 0.97 N ATOM 107 CZ ARG A 12 -11.625 10.547 -2.306 1.00 1.38 C ATOM 108 NH1 ARG A 12 -12.274 9.498 -2.794 1.00 1.25 N ATOM 109 NH2 ARG A 12 -11.428 11.612 -3.071 1.00 2.10 N ATOM 0 H ARG A 12 -10.252 8.028 1.427 1.00 0.12 H new ATOM 0 HA ARG A 12 -8.254 9.886 0.688 1.00 0.13 H new ATOM 0 HB2 ARG A 12 -10.093 10.731 2.805 1.00 0.17 H new ATOM 0 HB3 ARG A 12 -9.865 11.377 1.192 1.00 0.17 H new ATOM 0 HG2 ARG A 12 -11.587 8.985 1.951 1.00 0.42 H new ATOM 0 HG3 ARG A 12 -12.159 10.570 1.470 1.00 0.42 H new ATOM 0 HD2 ARG A 12 -10.545 8.685 -0.300 1.00 0.27 H new ATOM 0 HD3 ARG A 12 -12.283 8.893 -0.376 1.00 0.27 H new ATOM 0 HE ARG A 12 -10.678 11.355 -0.712 1.00 0.97 H new ATOM 0 HH11 ARG A 12 -12.428 8.677 -2.209 1.00 1.25 H new ATOM 0 HH12 ARG A 12 -12.619 9.513 -3.754 1.00 1.25 H new ATOM 0 HH21 ARG A 12 -10.930 12.421 -2.700 1.00 2.10 H new ATOM 0 HH22 ARG A 12 -11.774 11.622 -4.030 1.00 2.10 H new ATOM 123 N ALA A 13 -8.155 8.762 3.746 1.00 0.13 N ATOM 124 CA ALA A 13 -7.312 8.702 4.926 1.00 0.17 C ATOM 125 C ALA A 13 -6.028 7.988 4.574 1.00 0.16 C ATOM 126 O ALA A 13 -4.941 8.363 5.013 1.00 0.22 O ATOM 127 CB ALA A 13 -8.022 7.982 6.058 1.00 0.21 C ATOM 0 H ALA A 13 -8.948 8.120 3.756 1.00 0.13 H new ATOM 0 HA ALA A 13 -7.090 9.715 5.262 1.00 0.17 H new ATOM 0 HB1 ALA A 13 -7.372 7.949 6.932 1.00 0.21 H new ATOM 0 HB2 ALA A 13 -8.940 8.514 6.308 1.00 0.21 H new ATOM 0 HB3 ALA A 13 -8.265 6.966 5.747 1.00 0.21 H new ATOM 133 N ALA A 14 -6.177 6.971 3.741 1.00 0.13 N ATOM 134 CA ALA A 14 -5.064 6.157 3.300 1.00 0.12 C ATOM 135 C ALA A 14 -4.172 6.934 2.363 1.00 0.10 C ATOM 136 O ALA A 14 -2.954 6.799 2.386 1.00 0.10 O ATOM 137 CB ALA A 14 -5.593 4.920 2.607 1.00 0.13 C ATOM 0 H ALA A 14 -7.077 6.689 3.353 1.00 0.13 H new ATOM 0 HA ALA A 14 -4.473 5.866 4.168 1.00 0.12 H new ATOM 0 HB1 ALA A 14 -4.758 4.304 2.273 1.00 0.13 H new ATOM 0 HB2 ALA A 14 -6.210 4.349 3.302 1.00 0.13 H new ATOM 0 HB3 ALA A 14 -6.193 5.214 1.746 1.00 0.13 H new ATOM 143 N HIS A 15 -4.799 7.740 1.531 1.00 0.10 N ATOM 144 CA HIS A 15 -4.087 8.560 0.590 1.00 0.09 C ATOM 145 C HIS A 15 -2.977 9.301 1.314 1.00 0.09 C ATOM 146 O HIS A 15 -1.906 9.536 0.762 1.00 0.10 O ATOM 147 CB HIS A 15 -5.058 9.546 -0.051 1.00 0.09 C ATOM 148 CG HIS A 15 -5.293 9.293 -1.497 1.00 0.09 C ATOM 149 ND1 HIS A 15 -4.294 9.361 -2.437 1.00 0.10 N ATOM 150 CD2 HIS A 15 -6.421 8.968 -2.168 1.00 0.08 C ATOM 151 CE1 HIS A 15 -4.796 9.093 -3.623 1.00 0.09 C ATOM 152 NE2 HIS A 15 -6.084 8.855 -3.492 1.00 0.08 N ATOM 0 H HIS A 15 -5.813 7.840 1.493 1.00 0.10 H new ATOM 0 HA HIS A 15 -3.646 7.941 -0.191 1.00 0.09 H new ATOM 0 HB2 HIS A 15 -6.011 9.501 0.477 1.00 0.09 H new ATOM 0 HB3 HIS A 15 -4.672 10.558 0.075 1.00 0.09 H new ATOM 0 HD2 HIS A 15 -7.403 8.824 -1.741 1.00 0.08 H new ATOM 0 HE1 HIS A 15 -4.243 9.072 -4.550 1.00 0.09 H new ATOM 0 HE2 HIS A 15 -6.726 8.624 -4.251 1.00 0.08 H new ATOM 161 N ALA A 16 -3.259 9.669 2.563 1.00 0.10 N ATOM 162 CA ALA A 16 -2.298 10.370 3.399 1.00 0.12 C ATOM 163 C ALA A 16 -1.374 9.387 4.100 1.00 0.12 C ATOM 164 O ALA A 16 -0.282 9.753 4.522 1.00 0.13 O ATOM 165 CB ALA A 16 -3.003 11.246 4.419 1.00 0.13 C ATOM 0 H ALA A 16 -4.154 9.489 3.017 1.00 0.10 H new ATOM 0 HA ALA A 16 -1.698 11.010 2.752 1.00 0.12 H new ATOM 0 HB1 ALA A 16 -2.262 11.759 5.032 1.00 0.13 H new ATOM 0 HB2 ALA A 16 -3.619 11.982 3.903 1.00 0.13 H new ATOM 0 HB3 ALA A 16 -3.634 10.627 5.056 1.00 0.13 H new ATOM 171 N ALA A 17 -1.833 8.144 4.252 1.00 0.12 N ATOM 172 CA ALA A 17 -1.027 7.111 4.891 1.00 0.12 C ATOM 173 C ALA A 17 0.047 6.616 3.934 1.00 0.11 C ATOM 174 O ALA A 17 1.236 6.719 4.222 1.00 0.11 O ATOM 175 CB ALA A 17 -1.887 5.953 5.344 1.00 0.13 C ATOM 0 H ALA A 17 -2.754 7.832 3.942 1.00 0.12 H new ATOM 0 HA ALA A 17 -0.552 7.549 5.769 1.00 0.12 H new ATOM 0 HB1 ALA A 17 -1.260 5.197 5.817 1.00 0.13 H new ATOM 0 HB2 ALA A 17 -2.629 6.309 6.059 1.00 0.13 H new ATOM 0 HB3 ALA A 17 -2.393 5.517 4.483 1.00 0.13 H new ATOM 181 N LEU A 18 -0.380 6.074 2.791 1.00 0.10 N ATOM 182 CA LEU A 18 0.555 5.604 1.779 1.00 0.09 C ATOM 183 C LEU A 18 1.455 6.759 1.387 1.00 0.09 C ATOM 184 O LEU A 18 2.564 6.567 0.896 1.00 0.10 O ATOM 185 CB LEU A 18 -0.187 5.065 0.549 1.00 0.09 C ATOM 186 CG LEU A 18 -1.123 3.876 0.759 1.00 0.09 C ATOM 187 CD1 LEU A 18 -0.781 3.114 2.024 1.00 0.10 C ATOM 188 CD2 LEU A 18 -2.551 4.374 0.766 1.00 0.10 C ATOM 0 H LEU A 18 -1.363 5.952 2.548 1.00 0.10 H new ATOM 0 HA LEU A 18 1.149 4.786 2.186 1.00 0.09 H new ATOM 0 HB2 LEU A 18 -0.770 5.881 0.122 1.00 0.09 H new ATOM 0 HB3 LEU A 18 0.557 4.781 -0.196 1.00 0.09 H new ATOM 0 HG LEU A 18 -0.999 3.169 -0.061 1.00 0.09 H new ATOM 0 HD11 LEU A 18 -1.468 2.275 2.140 1.00 0.10 H new ATOM 0 HD12 LEU A 18 0.241 2.740 1.959 1.00 0.10 H new ATOM 0 HD13 LEU A 18 -0.870 3.778 2.884 1.00 0.10 H new ATOM 0 HD21 LEU A 18 -3.229 3.533 0.915 1.00 0.10 H new ATOM 0 HD22 LEU A 18 -2.682 5.093 1.574 1.00 0.10 H new ATOM 0 HD23 LEU A 18 -2.773 4.855 -0.187 1.00 0.10 H new ATOM 200 N LEU A 19 0.939 7.967 1.594 1.00 0.09 N ATOM 201 CA LEU A 19 1.693 9.181 1.340 1.00 0.09 C ATOM 202 C LEU A 19 2.671 9.350 2.493 1.00 0.10 C ATOM 203 O LEU A 19 3.868 9.561 2.299 1.00 0.10 O ATOM 204 CB LEU A 19 0.738 10.382 1.237 1.00 0.10 C ATOM 205 CG LEU A 19 1.359 11.775 1.377 1.00 0.10 C ATOM 206 CD1 LEU A 19 1.443 12.165 2.840 1.00 0.11 C ATOM 207 CD2 LEU A 19 2.734 11.825 0.732 1.00 0.11 C ATOM 0 H LEU A 19 -0.007 8.127 1.940 1.00 0.09 H new ATOM 0 HA LEU A 19 2.235 9.120 0.396 1.00 0.09 H new ATOM 0 HB2 LEU A 19 0.232 10.331 0.273 1.00 0.10 H new ATOM 0 HB3 LEU A 19 -0.028 10.273 2.005 1.00 0.10 H new ATOM 0 HG LEU A 19 0.719 12.489 0.859 1.00 0.10 H new ATOM 0 HD11 LEU A 19 1.886 13.157 2.927 1.00 0.11 H new ATOM 0 HD12 LEU A 19 0.442 12.175 3.272 1.00 0.11 H new ATOM 0 HD13 LEU A 19 2.061 11.443 3.374 1.00 0.11 H new ATOM 0 HD21 LEU A 19 3.153 12.825 0.845 1.00 0.11 H new ATOM 0 HD22 LEU A 19 3.389 11.100 1.215 1.00 0.11 H new ATOM 0 HD23 LEU A 19 2.648 11.586 -0.328 1.00 0.11 H new ATOM 219 N GLU A 20 2.129 9.229 3.700 1.00 0.11 N ATOM 220 CA GLU A 20 2.912 9.323 4.923 1.00 0.13 C ATOM 221 C GLU A 20 4.066 8.341 4.843 1.00 0.14 C ATOM 222 O GLU A 20 5.112 8.524 5.466 1.00 0.16 O ATOM 223 CB GLU A 20 2.040 9.005 6.131 1.00 0.14 C ATOM 224 CG GLU A 20 2.773 9.105 7.454 1.00 0.18 C ATOM 225 CD GLU A 20 2.881 10.532 7.955 1.00 1.23 C ATOM 226 OE1 GLU A 20 3.821 11.239 7.534 1.00 1.89 O ATOM 227 OE2 GLU A 20 2.029 10.942 8.769 1.00 1.64 O ATOM 0 H GLU A 20 1.135 9.063 3.856 1.00 0.11 H new ATOM 0 HA GLU A 20 3.297 10.337 5.033 1.00 0.13 H new ATOM 0 HB2 GLU A 20 1.190 9.687 6.144 1.00 0.14 H new ATOM 0 HB3 GLU A 20 1.639 7.997 6.023 1.00 0.14 H new ATOM 0 HG2 GLU A 20 2.255 8.501 8.199 1.00 0.18 H new ATOM 0 HG3 GLU A 20 3.773 8.686 7.343 1.00 0.18 H new ATOM 234 N ASN A 21 3.844 7.283 4.076 1.00 0.13 N ATOM 235 CA ASN A 21 4.853 6.271 3.854 1.00 0.14 C ATOM 236 C ASN A 21 5.749 6.723 2.721 1.00 0.13 C ATOM 237 O ASN A 21 6.966 6.711 2.839 1.00 0.21 O ATOM 238 CB ASN A 21 4.211 4.930 3.496 1.00 0.15 C ATOM 239 CG ASN A 21 5.043 4.149 2.505 1.00 0.47 C ATOM 240 OD1 ASN A 21 5.926 3.386 2.888 1.00 1.21 O ATOM 241 ND2 ASN A 21 4.760 4.331 1.220 1.00 1.34 N ATOM 0 H ASN A 21 2.962 7.107 3.595 1.00 0.13 H new ATOM 0 HA ASN A 21 5.432 6.137 4.768 1.00 0.14 H new ATOM 0 HB2 ASN A 21 4.077 4.339 4.402 1.00 0.15 H new ATOM 0 HB3 ASN A 21 3.219 5.103 3.079 1.00 0.15 H new ATOM 0 HD21 ASN A 21 5.285 3.827 0.506 1.00 1.34 H new ATOM 0 HD22 ASN A 21 4.018 4.975 0.948 1.00 1.34 H new ATOM 248 N ALA A 22 5.110 7.133 1.628 1.00 0.11 N ATOM 249 CA ALA A 22 5.811 7.605 0.438 1.00 0.12 C ATOM 250 C ALA A 22 6.943 8.557 0.792 1.00 0.12 C ATOM 251 O ALA A 22 7.983 8.560 0.138 1.00 0.13 O ATOM 252 CB ALA A 22 4.838 8.289 -0.509 1.00 0.13 C ATOM 0 H ALA A 22 4.094 7.147 1.543 1.00 0.11 H new ATOM 0 HA ALA A 22 6.246 6.735 -0.054 1.00 0.12 H new ATOM 0 HB1 ALA A 22 5.374 8.636 -1.392 1.00 0.13 H new ATOM 0 HB2 ALA A 22 4.064 7.582 -0.808 1.00 0.13 H new ATOM 0 HB3 ALA A 22 4.378 9.139 -0.006 1.00 0.13 H new ATOM 258 N ARG A 23 6.733 9.383 1.813 1.00 0.13 N ATOM 259 CA ARG A 23 7.763 10.314 2.246 1.00 0.15 C ATOM 260 C ARG A 23 8.860 9.537 2.948 1.00 0.16 C ATOM 261 O ARG A 23 10.044 9.743 2.693 1.00 0.18 O ATOM 262 CB ARG A 23 7.186 11.385 3.173 1.00 0.18 C ATOM 263 CG ARG A 23 6.495 10.832 4.410 1.00 0.20 C ATOM 264 CD ARG A 23 6.088 11.943 5.364 1.00 0.29 C ATOM 265 NE ARG A 23 5.117 12.857 4.765 1.00 1.07 N ATOM 266 CZ ARG A 23 4.590 13.894 5.408 1.00 1.28 C ATOM 267 NH1 ARG A 23 4.943 14.151 6.661 1.00 0.75 N ATOM 268 NH2 ARG A 23 3.709 14.678 4.800 1.00 2.26 N ATOM 0 H ARG A 23 5.867 9.425 2.350 1.00 0.13 H new ATOM 0 HA ARG A 23 8.172 10.825 1.375 1.00 0.15 H new ATOM 0 HB2 ARG A 23 7.991 12.050 3.487 1.00 0.18 H new ATOM 0 HB3 ARG A 23 6.473 11.990 2.612 1.00 0.18 H new ATOM 0 HG2 ARG A 23 5.613 10.265 4.112 1.00 0.20 H new ATOM 0 HG3 ARG A 23 7.162 10.138 4.921 1.00 0.20 H new ATOM 0 HD2 ARG A 23 5.664 11.506 6.268 1.00 0.29 H new ATOM 0 HD3 ARG A 23 6.973 12.503 5.666 1.00 0.29 H new ATOM 0 HE ARG A 23 4.828 12.690 3.801 1.00 1.07 H new ATOM 0 HH11 ARG A 23 5.620 13.552 7.133 1.00 0.75 H new ATOM 0 HH12 ARG A 23 4.537 14.948 7.152 1.00 0.75 H new ATOM 0 HH21 ARG A 23 3.435 14.486 3.837 1.00 2.26 H new ATOM 0 HH22 ARG A 23 3.306 15.473 5.296 1.00 2.26 H new ATOM 282 N PHE A 24 8.447 8.637 3.833 1.00 0.16 N ATOM 283 CA PHE A 24 9.379 7.786 4.549 1.00 0.19 C ATOM 284 C PHE A 24 10.096 6.889 3.551 1.00 0.19 C ATOM 285 O PHE A 24 11.184 6.381 3.819 1.00 0.26 O ATOM 286 CB PHE A 24 8.633 6.950 5.587 1.00 0.21 C ATOM 287 CG PHE A 24 8.804 7.436 6.997 1.00 0.28 C ATOM 288 CD1 PHE A 24 9.852 6.980 7.780 1.00 0.41 C ATOM 289 CD2 PHE A 24 7.915 8.350 7.540 1.00 0.29 C ATOM 290 CE1 PHE A 24 10.011 7.427 9.078 1.00 0.48 C ATOM 291 CE2 PHE A 24 8.068 8.800 8.837 1.00 0.37 C ATOM 292 CZ PHE A 24 9.117 8.337 9.608 1.00 0.44 C ATOM 0 H PHE A 24 7.467 8.480 4.070 1.00 0.16 H new ATOM 0 HA PHE A 24 10.113 8.399 5.072 1.00 0.19 H new ATOM 0 HB2 PHE A 24 7.571 6.946 5.341 1.00 0.21 H new ATOM 0 HB3 PHE A 24 8.979 5.918 5.524 1.00 0.21 H new ATOM 0 HD1 PHE A 24 10.553 6.267 7.371 1.00 0.41 H new ATOM 0 HD2 PHE A 24 7.093 8.715 6.942 1.00 0.29 H new ATOM 0 HE1 PHE A 24 10.833 7.065 9.677 1.00 0.48 H new ATOM 0 HE2 PHE A 24 7.369 9.513 9.248 1.00 0.37 H new ATOM 0 HZ PHE A 24 9.238 8.686 10.623 1.00 0.44 H new ATOM 302 N MET A 25 9.458 6.694 2.399 1.00 0.15 N ATOM 303 CA MET A 25 10.031 5.907 1.321 1.00 0.20 C ATOM 304 C MET A 25 11.067 6.780 0.645 1.00 0.13 C ATOM 305 O MET A 25 12.195 6.367 0.380 1.00 0.14 O ATOM 306 CB MET A 25 8.953 5.499 0.306 1.00 0.32 C ATOM 307 CG MET A 25 7.856 4.596 0.854 1.00 0.52 C ATOM 308 SD MET A 25 8.473 3.061 1.561 1.00 1.14 S ATOM 309 CE MET A 25 8.812 3.587 3.238 1.00 0.69 C ATOM 0 H MET A 25 8.535 7.076 2.192 1.00 0.15 H new ATOM 0 HA MET A 25 10.474 4.991 1.713 1.00 0.20 H new ATOM 0 HB2 MET A 25 8.492 6.402 -0.094 1.00 0.32 H new ATOM 0 HB3 MET A 25 9.436 4.992 -0.529 1.00 0.32 H new ATOM 0 HG2 MET A 25 7.297 5.139 1.617 1.00 0.52 H new ATOM 0 HG3 MET A 25 7.156 4.361 0.052 1.00 0.52 H new ATOM 0 HE1 MET A 25 8.614 2.764 3.925 1.00 0.69 H new ATOM 0 HE2 MET A 25 9.857 3.885 3.322 1.00 0.69 H new ATOM 0 HE3 MET A 25 8.172 4.433 3.491 1.00 0.69 H new ATOM 319 N GLU A 26 10.641 8.010 0.375 1.00 0.12 N ATOM 320 CA GLU A 26 11.490 9.021 -0.215 1.00 0.13 C ATOM 321 C GLU A 26 12.663 9.283 0.723 1.00 0.15 C ATOM 322 O GLU A 26 13.718 9.764 0.310 1.00 0.19 O ATOM 323 CB GLU A 26 10.680 10.305 -0.431 1.00 0.16 C ATOM 324 CG GLU A 26 10.164 10.479 -1.851 1.00 0.24 C ATOM 325 CD GLU A 26 10.019 11.938 -2.238 1.00 1.12 C ATOM 326 OE1 GLU A 26 11.002 12.519 -2.743 1.00 1.01 O ATOM 327 OE2 GLU A 26 8.921 12.499 -2.036 1.00 2.15 O ATOM 0 H GLU A 26 9.690 8.328 0.563 1.00 0.12 H new ATOM 0 HA GLU A 26 11.868 8.682 -1.179 1.00 0.13 H new ATOM 0 HB2 GLU A 26 9.833 10.308 0.255 1.00 0.16 H new ATOM 0 HB3 GLU A 26 11.302 11.162 -0.174 1.00 0.16 H new ATOM 0 HG2 GLU A 26 10.846 9.988 -2.545 1.00 0.24 H new ATOM 0 HG3 GLU A 26 9.198 9.983 -1.947 1.00 0.24 H new ATOM 334 N GLN A 27 12.451 8.952 1.996 1.00 0.15 N ATOM 335 CA GLN A 27 13.462 9.120 3.030 1.00 0.19 C ATOM 336 C GLN A 27 14.450 7.968 2.998 1.00 0.18 C ATOM 337 O GLN A 27 15.651 8.174 2.845 1.00 0.20 O ATOM 338 CB GLN A 27 12.807 9.194 4.405 1.00 0.26 C ATOM 339 CG GLN A 27 12.099 10.498 4.666 1.00 0.37 C ATOM 340 CD GLN A 27 10.984 10.388 5.686 1.00 1.59 C ATOM 341 OE1 GLN A 27 11.052 9.582 6.613 1.00 2.46 O ATOM 342 NE2 GLN A 27 9.948 11.201 5.519 1.00 2.25 N ATOM 0 H GLN A 27 11.573 8.560 2.336 1.00 0.15 H new ATOM 0 HA GLN A 27 13.995 10.051 2.838 1.00 0.19 H new ATOM 0 HB2 GLN A 27 12.093 8.376 4.502 1.00 0.26 H new ATOM 0 HB3 GLN A 27 13.569 9.044 5.170 1.00 0.26 H new ATOM 0 HG2 GLN A 27 12.825 11.234 5.012 1.00 0.37 H new ATOM 0 HG3 GLN A 27 11.687 10.873 3.729 1.00 0.37 H new ATOM 0 HE21 GLN A 27 9.933 11.854 4.736 1.00 2.25 H new ATOM 0 HE22 GLN A 27 9.167 11.173 6.174 1.00 2.25 H new ATOM 351 N PHE A 28 13.929 6.755 3.153 1.00 0.20 N ATOM 352 CA PHE A 28 14.751 5.554 3.136 1.00 0.23 C ATOM 353 C PHE A 28 15.716 5.600 1.959 1.00 0.19 C ATOM 354 O PHE A 28 16.895 5.284 2.096 1.00 0.25 O ATOM 355 CB PHE A 28 13.869 4.320 3.034 1.00 0.27 C ATOM 356 CG PHE A 28 14.612 3.024 3.210 1.00 0.30 C ATOM 357 CD1 PHE A 28 14.867 2.520 4.476 1.00 0.48 C ATOM 358 CD2 PHE A 28 15.057 2.311 2.107 1.00 0.25 C ATOM 359 CE1 PHE A 28 15.551 1.328 4.637 1.00 0.53 C ATOM 360 CE2 PHE A 28 15.741 1.120 2.262 1.00 0.28 C ATOM 361 CZ PHE A 28 15.989 0.629 3.529 1.00 0.40 C ATOM 0 H PHE A 28 12.934 6.579 3.293 1.00 0.20 H new ATOM 0 HA PHE A 28 15.323 5.505 4.063 1.00 0.23 H new ATOM 0 HB2 PHE A 28 13.084 4.383 3.788 1.00 0.27 H new ATOM 0 HB3 PHE A 28 13.377 4.316 2.061 1.00 0.27 H new ATOM 0 HD1 PHE A 28 14.528 3.063 5.346 1.00 0.48 H new ATOM 0 HD2 PHE A 28 14.867 2.691 1.114 1.00 0.25 H new ATOM 0 HE1 PHE A 28 15.742 0.944 5.628 1.00 0.53 H new ATOM 0 HE2 PHE A 28 16.081 0.574 1.394 1.00 0.28 H new ATOM 0 HZ PHE A 28 16.525 -0.300 3.653 1.00 0.40 H new ATOM 371 N TYR A 29 15.192 5.989 0.801 1.00 0.14 N ATOM 372 CA TYR A 29 15.997 6.113 -0.407 1.00 0.15 C ATOM 373 C TYR A 29 16.991 7.252 -0.231 1.00 0.19 C ATOM 374 O TYR A 29 18.152 7.154 -0.630 1.00 0.26 O ATOM 375 CB TYR A 29 15.092 6.382 -1.613 1.00 0.16 C ATOM 376 CG TYR A 29 15.836 6.707 -2.890 1.00 0.23 C ATOM 377 CD1 TYR A 29 16.299 5.695 -3.723 1.00 0.27 C ATOM 378 CD2 TYR A 29 16.082 8.023 -3.259 1.00 0.29 C ATOM 379 CE1 TYR A 29 16.984 5.986 -4.887 1.00 0.34 C ATOM 380 CE2 TYR A 29 16.765 8.322 -4.421 1.00 0.37 C ATOM 381 CZ TYR A 29 17.195 7.310 -5.241 1.00 0.38 C ATOM 382 OH TYR A 29 17.896 7.595 -6.391 1.00 0.47 O ATOM 0 H TYR A 29 14.208 6.225 0.675 1.00 0.14 H new ATOM 0 HA TYR A 29 16.540 5.184 -0.581 1.00 0.15 H new ATOM 0 HB2 TYR A 29 14.465 5.507 -1.784 1.00 0.16 H new ATOM 0 HB3 TYR A 29 14.425 7.210 -1.374 1.00 0.16 H new ATOM 0 HD1 TYR A 29 16.120 4.664 -3.456 1.00 0.27 H new ATOM 0 HD2 TYR A 29 15.733 8.826 -2.626 1.00 0.29 H new ATOM 0 HE1 TYR A 29 17.352 5.189 -5.516 1.00 0.34 H new ATOM 0 HE2 TYR A 29 16.960 9.351 -4.684 1.00 0.37 H new ATOM 0 HH TYR A 29 17.959 8.566 -6.503 1.00 0.47 H new ATOM 392 N ALA A 30 16.513 8.333 0.378 1.00 0.18 N ATOM 393 CA ALA A 30 17.342 9.500 0.641 1.00 0.23 C ATOM 394 C ALA A 30 18.442 9.148 1.635 1.00 0.26 C ATOM 395 O ALA A 30 19.425 9.874 1.782 1.00 0.32 O ATOM 396 CB ALA A 30 16.482 10.638 1.177 1.00 0.24 C ATOM 0 H ALA A 30 15.549 8.423 0.700 1.00 0.18 H new ATOM 0 HA ALA A 30 17.808 9.823 -0.290 1.00 0.23 H new ATOM 0 HB1 ALA A 30 17.109 11.508 1.371 1.00 0.24 H new ATOM 0 HB2 ALA A 30 15.721 10.897 0.441 1.00 0.24 H new ATOM 0 HB3 ALA A 30 15.999 10.325 2.103 1.00 0.24 H new ATOM 402 N LYS A 31 18.258 8.020 2.313 1.00 0.25 N ATOM 403 CA LYS A 31 19.213 7.540 3.302 1.00 0.30 C ATOM 404 C LYS A 31 20.016 6.365 2.750 1.00 0.31 C ATOM 405 O LYS A 31 21.122 6.083 3.212 1.00 0.35 O ATOM 406 CB LYS A 31 18.474 7.096 4.567 1.00 0.31 C ATOM 407 CG LYS A 31 17.538 8.148 5.135 1.00 0.31 C ATOM 408 CD LYS A 31 16.274 7.518 5.708 1.00 0.33 C ATOM 409 CE LYS A 31 15.506 8.500 6.576 1.00 0.36 C ATOM 410 NZ LYS A 31 16.309 8.961 7.742 1.00 1.26 N ATOM 0 H LYS A 31 17.445 7.416 2.192 1.00 0.25 H new ATOM 0 HA LYS A 31 19.896 8.355 3.541 1.00 0.30 H new ATOM 0 HB2 LYS A 31 17.901 6.196 4.344 1.00 0.31 H new ATOM 0 HB3 LYS A 31 19.206 6.827 5.328 1.00 0.31 H new ATOM 0 HG2 LYS A 31 18.051 8.711 5.915 1.00 0.31 H new ATOM 0 HG3 LYS A 31 17.270 8.859 4.353 1.00 0.31 H new ATOM 0 HD2 LYS A 31 15.636 7.175 4.894 1.00 0.33 H new ATOM 0 HD3 LYS A 31 16.539 6.640 6.297 1.00 0.33 H new ATOM 0 HE2 LYS A 31 15.211 9.361 5.976 1.00 0.36 H new ATOM 0 HE3 LYS A 31 14.589 8.030 6.931 1.00 0.36 H new ATOM 0 HZ1 LYS A 31 15.671 9.278 8.500 1.00 1.26 H new ATOM 0 HZ2 LYS A 31 16.897 8.177 8.090 1.00 1.26 H new ATOM 0 HZ3 LYS A 31 16.921 9.750 7.452 1.00 1.26 H new ATOM 424 N LYS A 32 19.445 5.686 1.759 1.00 0.30 N ATOM 425 CA LYS A 32 20.077 4.522 1.158 1.00 0.32 C ATOM 426 C LYS A 32 20.306 4.695 -0.342 1.00 0.32 C ATOM 427 O LYS A 32 21.380 5.111 -0.776 1.00 0.38 O ATOM 428 CB LYS A 32 19.199 3.299 1.404 1.00 0.31 C ATOM 429 CG LYS A 32 19.472 2.613 2.729 1.00 0.37 C ATOM 430 CD LYS A 32 20.552 1.554 2.594 1.00 0.42 C ATOM 431 CE LYS A 32 20.898 0.937 3.939 1.00 0.54 C ATOM 432 NZ LYS A 32 21.902 -0.154 3.807 1.00 1.40 N ATOM 0 H LYS A 32 18.540 5.926 1.355 1.00 0.30 H new ATOM 0 HA LYS A 32 21.055 4.395 1.622 1.00 0.32 H new ATOM 0 HB2 LYS A 32 18.152 3.601 1.369 1.00 0.31 H new ATOM 0 HB3 LYS A 32 19.352 2.584 0.596 1.00 0.31 H new ATOM 0 HG2 LYS A 32 19.778 3.354 3.468 1.00 0.37 H new ATOM 0 HG3 LYS A 32 18.555 2.154 3.098 1.00 0.37 H new ATOM 0 HD2 LYS A 32 20.215 0.774 1.911 1.00 0.42 H new ATOM 0 HD3 LYS A 32 21.446 1.998 2.155 1.00 0.42 H new ATOM 0 HE2 LYS A 32 21.286 1.709 4.604 1.00 0.54 H new ATOM 0 HE3 LYS A 32 19.993 0.544 4.402 1.00 0.54 H new ATOM 0 HZ1 LYS A 32 22.111 -0.549 4.746 1.00 1.40 H new ATOM 0 HZ2 LYS A 32 21.522 -0.903 3.193 1.00 1.40 H new ATOM 0 HZ3 LYS A 32 22.775 0.226 3.389 1.00 1.40 H new ATOM 446 N GLY A 33 19.279 4.370 -1.125 1.00 0.30 N ATOM 447 CA GLY A 33 19.370 4.467 -2.571 1.00 0.32 C ATOM 448 C GLY A 33 18.560 3.385 -3.261 1.00 0.30 C ATOM 449 O GLY A 33 18.395 3.397 -4.480 1.00 0.34 O ATOM 0 H GLY A 33 18.379 4.039 -0.779 1.00 0.30 H new ATOM 0 HA2 GLY A 33 19.016 5.447 -2.892 1.00 0.32 H new ATOM 0 HA3 GLY A 33 20.414 4.389 -2.875 1.00 0.32 H new ATOM 453 N SER A 34 18.060 2.444 -2.464 1.00 0.28 N ATOM 454 CA SER A 34 17.250 1.338 -2.967 1.00 0.28 C ATOM 455 C SER A 34 16.438 0.735 -1.825 1.00 0.30 C ATOM 456 O SER A 34 16.772 0.926 -0.657 1.00 0.45 O ATOM 457 CB SER A 34 18.137 0.264 -3.600 1.00 0.30 C ATOM 458 OG SER A 34 18.893 0.791 -4.676 1.00 1.19 O ATOM 0 H SER A 34 18.204 2.427 -1.454 1.00 0.28 H new ATOM 0 HA SER A 34 16.573 1.720 -3.731 1.00 0.28 H new ATOM 0 HB2 SER A 34 18.809 -0.146 -2.847 1.00 0.30 H new ATOM 0 HB3 SER A 34 17.518 -0.559 -3.956 1.00 0.30 H new ATOM 0 HG SER A 34 18.513 1.651 -4.953 1.00 1.19 H new ATOM 464 N PHE A 35 15.376 0.010 -2.162 1.00 0.27 N ATOM 465 CA PHE A 35 14.530 -0.599 -1.139 1.00 0.30 C ATOM 466 C PHE A 35 14.751 -2.103 -1.035 1.00 0.30 C ATOM 467 O PHE A 35 15.144 -2.599 0.021 1.00 0.44 O ATOM 468 CB PHE A 35 13.058 -0.279 -1.403 1.00 0.39 C ATOM 469 CG PHE A 35 12.514 0.706 -0.416 1.00 0.51 C ATOM 470 CD1 PHE A 35 12.744 2.059 -0.580 1.00 0.74 C ATOM 471 CD2 PHE A 35 11.789 0.278 0.683 1.00 0.83 C ATOM 472 CE1 PHE A 35 12.259 2.972 0.333 1.00 0.98 C ATOM 473 CE2 PHE A 35 11.301 1.186 1.599 1.00 1.07 C ATOM 474 CZ PHE A 35 11.538 2.535 1.424 1.00 1.06 C ATOM 0 H PHE A 35 15.082 -0.169 -3.122 1.00 0.27 H new ATOM 0 HA PHE A 35 14.814 -0.168 -0.179 1.00 0.30 H new ATOM 0 HB2 PHE A 35 12.949 0.120 -2.411 1.00 0.39 H new ATOM 0 HB3 PHE A 35 12.473 -1.198 -1.358 1.00 0.39 H new ATOM 0 HD1 PHE A 35 13.310 2.405 -1.432 1.00 0.74 H new ATOM 0 HD2 PHE A 35 11.604 -0.777 0.824 1.00 0.83 H new ATOM 0 HE1 PHE A 35 12.444 4.027 0.194 1.00 0.98 H new ATOM 0 HE2 PHE A 35 10.734 0.843 2.452 1.00 1.07 H new ATOM 0 HZ PHE A 35 11.159 3.248 2.141 1.00 1.06 H new ATOM 484 N LYS A 36 14.497 -2.830 -2.115 1.00 0.31 N ATOM 485 CA LYS A 36 14.685 -4.277 -2.104 1.00 0.31 C ATOM 486 C LYS A 36 16.120 -4.635 -2.455 1.00 0.26 C ATOM 487 O LYS A 36 16.755 -3.978 -3.279 1.00 0.34 O ATOM 488 CB LYS A 36 13.697 -4.957 -3.046 1.00 0.40 C ATOM 489 CG LYS A 36 14.181 -6.275 -3.634 1.00 0.78 C ATOM 490 CD LYS A 36 13.137 -6.875 -4.566 1.00 0.79 C ATOM 491 CE LYS A 36 13.612 -8.184 -5.176 1.00 0.70 C ATOM 492 NZ LYS A 36 12.629 -8.732 -6.149 1.00 0.88 N ATOM 0 H LYS A 36 14.164 -2.449 -3.001 1.00 0.31 H new ATOM 0 HA LYS A 36 14.488 -4.642 -1.096 1.00 0.31 H new ATOM 0 HB2 LYS A 36 12.766 -5.135 -2.507 1.00 0.40 H new ATOM 0 HB3 LYS A 36 13.466 -4.274 -3.863 1.00 0.40 H new ATOM 0 HG2 LYS A 36 15.111 -6.114 -4.180 1.00 0.78 H new ATOM 0 HG3 LYS A 36 14.401 -6.977 -2.830 1.00 0.78 H new ATOM 0 HD2 LYS A 36 12.212 -7.045 -4.015 1.00 0.79 H new ATOM 0 HD3 LYS A 36 12.908 -6.165 -5.361 1.00 0.79 H new ATOM 0 HE2 LYS A 36 14.568 -8.026 -5.676 1.00 0.70 H new ATOM 0 HE3 LYS A 36 13.783 -8.913 -4.384 1.00 0.70 H new ATOM 0 HZ1 LYS A 36 12.990 -9.624 -6.542 1.00 0.88 H new ATOM 0 HZ2 LYS A 36 11.724 -8.907 -5.667 1.00 0.88 H new ATOM 0 HZ3 LYS A 36 12.484 -8.048 -6.919 1.00 0.88 H new ATOM 506 N LEU A 37 16.624 -5.685 -1.819 1.00 0.29 N ATOM 507 CA LEU A 37 18.002 -6.114 -2.040 1.00 0.30 C ATOM 508 C LEU A 37 18.090 -7.512 -2.636 1.00 0.30 C ATOM 509 O LEU A 37 19.025 -7.814 -3.379 1.00 0.35 O ATOM 510 CB LEU A 37 18.789 -6.076 -0.727 1.00 0.32 C ATOM 511 CG LEU A 37 17.948 -5.968 0.550 1.00 0.40 C ATOM 512 CD1 LEU A 37 18.804 -6.270 1.770 1.00 1.34 C ATOM 513 CD2 LEU A 37 17.338 -4.575 0.659 1.00 1.36 C ATOM 0 H LEU A 37 16.104 -6.253 -1.150 1.00 0.29 H new ATOM 0 HA LEU A 37 18.434 -5.417 -2.758 1.00 0.30 H new ATOM 0 HB2 LEU A 37 19.398 -6.978 -0.664 1.00 0.32 H new ATOM 0 HB3 LEU A 37 19.475 -5.230 -0.761 1.00 0.32 H new ATOM 0 HG LEU A 37 17.141 -6.699 0.504 1.00 0.40 H new ATOM 0 HD11 LEU A 37 18.195 -6.190 2.671 1.00 1.34 H new ATOM 0 HD12 LEU A 37 19.205 -7.280 1.692 1.00 1.34 H new ATOM 0 HD13 LEU A 37 19.626 -5.556 1.823 1.00 1.34 H new ATOM 0 HD21 LEU A 37 16.743 -4.509 1.570 1.00 1.36 H new ATOM 0 HD22 LEU A 37 18.134 -3.831 0.691 1.00 1.36 H new ATOM 0 HD23 LEU A 37 16.701 -4.388 -0.205 1.00 1.36 H new ATOM 525 N THR A 38 17.127 -8.362 -2.318 1.00 0.28 N ATOM 526 CA THR A 38 17.145 -9.728 -2.813 1.00 0.32 C ATOM 527 C THR A 38 15.740 -10.255 -3.034 1.00 0.31 C ATOM 528 O THR A 38 14.757 -9.611 -2.668 1.00 0.33 O ATOM 529 CB THR A 38 17.856 -10.646 -1.810 1.00 0.36 C ATOM 530 OG1 THR A 38 17.946 -11.977 -2.331 1.00 0.49 O ATOM 531 CG2 THR A 38 17.096 -10.655 -0.496 1.00 0.42 C ATOM 0 H THR A 38 16.330 -8.133 -1.725 1.00 0.28 H new ATOM 0 HA THR A 38 17.678 -9.722 -3.764 1.00 0.32 H new ATOM 0 HB THR A 38 18.864 -10.269 -1.640 1.00 0.36 H new ATOM 0 HG1 THR A 38 18.403 -12.552 -1.682 1.00 0.49 H new ATOM 0 HG21 THR A 38 17.604 -11.308 0.214 1.00 0.42 H new ATOM 0 HG22 THR A 38 17.055 -9.643 -0.093 1.00 0.42 H new ATOM 0 HG23 THR A 38 16.083 -11.020 -0.664 1.00 0.42 H new ATOM 539 N SER A 39 15.654 -11.437 -3.626 1.00 0.46 N ATOM 540 CA SER A 39 14.373 -12.059 -3.880 1.00 0.47 C ATOM 541 C SER A 39 13.896 -12.790 -2.637 1.00 0.43 C ATOM 542 O SER A 39 14.663 -13.501 -1.993 1.00 0.50 O ATOM 543 CB SER A 39 14.465 -13.016 -5.067 1.00 0.58 C ATOM 544 OG SER A 39 15.200 -12.438 -6.132 1.00 1.34 O ATOM 0 H SER A 39 16.459 -11.981 -3.938 1.00 0.46 H new ATOM 0 HA SER A 39 13.649 -11.283 -4.128 1.00 0.47 H new ATOM 0 HB2 SER A 39 14.942 -13.945 -4.753 1.00 0.58 H new ATOM 0 HB3 SER A 39 13.463 -13.273 -5.410 1.00 0.58 H new ATOM 0 HG SER A 39 15.246 -13.071 -6.879 1.00 1.34 H new ATOM 550 N THR A 40 12.629 -12.571 -2.310 1.00 0.38 N ATOM 551 CA THR A 40 11.979 -13.167 -1.142 1.00 0.36 C ATOM 552 C THR A 40 12.449 -12.476 0.134 1.00 0.33 C ATOM 553 O THR A 40 12.691 -13.111 1.161 1.00 0.35 O ATOM 554 CB THR A 40 12.171 -14.696 -1.030 1.00 0.43 C ATOM 555 OG1 THR A 40 13.521 -15.023 -0.684 1.00 0.47 O ATOM 556 CG2 THR A 40 11.788 -15.378 -2.333 1.00 0.46 C ATOM 0 H THR A 40 12.013 -11.967 -2.854 1.00 0.38 H new ATOM 0 HA THR A 40 10.909 -13.009 -1.277 1.00 0.36 H new ATOM 0 HB THR A 40 11.517 -15.056 -0.236 1.00 0.43 H new ATOM 0 HG1 THR A 40 14.131 -14.636 -1.346 1.00 0.47 H new ATOM 0 HG21 THR A 40 11.930 -16.454 -2.236 1.00 0.46 H new ATOM 0 HG22 THR A 40 10.743 -15.169 -2.560 1.00 0.46 H new ATOM 0 HG23 THR A 40 12.417 -15.001 -3.140 1.00 0.46 H new ATOM 564 N LYS A 41 12.570 -11.154 0.034 1.00 0.30 N ATOM 565 CA LYS A 41 12.981 -10.301 1.141 1.00 0.27 C ATOM 566 C LYS A 41 11.843 -9.325 1.460 1.00 0.24 C ATOM 567 O LYS A 41 11.048 -9.000 0.577 1.00 0.24 O ATOM 568 CB LYS A 41 14.245 -9.545 0.742 1.00 0.30 C ATOM 569 CG LYS A 41 13.978 -8.132 0.318 1.00 0.99 C ATOM 570 CD LYS A 41 14.058 -7.197 1.501 1.00 0.96 C ATOM 571 CE LYS A 41 14.489 -5.830 1.057 1.00 0.39 C ATOM 572 NZ LYS A 41 14.767 -4.929 2.211 1.00 1.13 N ATOM 0 H LYS A 41 12.383 -10.642 -0.828 1.00 0.30 H new ATOM 0 HA LYS A 41 13.195 -10.897 2.028 1.00 0.27 H new ATOM 0 HB2 LYS A 41 14.939 -9.540 1.583 1.00 0.30 H new ATOM 0 HB3 LYS A 41 14.736 -10.076 -0.074 1.00 0.30 H new ATOM 0 HG2 LYS A 41 14.702 -7.831 -0.440 1.00 0.99 H new ATOM 0 HG3 LYS A 41 12.991 -8.064 -0.140 1.00 0.99 H new ATOM 0 HD2 LYS A 41 13.087 -7.138 1.992 1.00 0.96 H new ATOM 0 HD3 LYS A 41 14.763 -7.588 2.235 1.00 0.96 H new ATOM 0 HE2 LYS A 41 15.383 -5.915 0.440 1.00 0.39 H new ATOM 0 HE3 LYS A 41 13.711 -5.390 0.433 1.00 0.39 H new ATOM 0 HZ1 LYS A 41 14.912 -3.958 1.867 1.00 1.13 H new ATOM 0 HZ2 LYS A 41 13.960 -4.946 2.867 1.00 1.13 H new ATOM 0 HZ3 LYS A 41 15.623 -5.252 2.706 1.00 1.13 H new ATOM 586 N TRP A 42 11.762 -8.832 2.694 1.00 0.21 N ATOM 587 CA TRP A 42 10.671 -7.921 3.041 1.00 0.18 C ATOM 588 C TRP A 42 11.102 -6.692 3.845 1.00 0.17 C ATOM 589 O TRP A 42 11.292 -6.776 5.059 1.00 0.20 O ATOM 590 CB TRP A 42 9.601 -8.665 3.837 1.00 0.20 C ATOM 591 CG TRP A 42 8.427 -9.110 3.021 1.00 0.19 C ATOM 592 CD1 TRP A 42 8.090 -8.695 1.766 1.00 0.18 C ATOM 593 CD2 TRP A 42 7.418 -10.050 3.413 1.00 0.21 C ATOM 594 NE1 TRP A 42 6.940 -9.313 1.355 1.00 0.20 N ATOM 595 CE2 TRP A 42 6.509 -10.149 2.345 1.00 0.21 C ATOM 596 CE3 TRP A 42 7.196 -10.818 4.559 1.00 0.25 C ATOM 597 CZ2 TRP A 42 5.397 -10.976 2.387 1.00 0.24 C ATOM 598 CZ3 TRP A 42 6.088 -11.645 4.601 1.00 0.27 C ATOM 599 CH2 TRP A 42 5.200 -11.718 3.520 1.00 0.27 C ATOM 0 H TRP A 42 12.415 -9.038 3.450 1.00 0.21 H new ATOM 0 HA TRP A 42 10.286 -7.559 2.087 1.00 0.18 H new ATOM 0 HB2 TRP A 42 10.055 -9.538 4.306 1.00 0.20 H new ATOM 0 HB3 TRP A 42 9.247 -8.019 4.640 1.00 0.20 H new ATOM 0 HD1 TRP A 42 8.650 -7.981 1.181 1.00 0.18 H new ATOM 0 HE1 TRP A 42 6.480 -9.172 0.456 1.00 0.20 H new ATOM 0 HE3 TRP A 42 7.877 -10.767 5.396 1.00 0.25 H new ATOM 0 HZ2 TRP A 42 4.711 -11.033 1.555 1.00 0.24 H new ATOM 0 HZ3 TRP A 42 5.905 -12.244 5.481 1.00 0.27 H new ATOM 0 HH2 TRP A 42 4.343 -12.373 3.582 1.00 0.27 H new ATOM 610 N PRO A 43 11.261 -5.528 3.180 1.00 0.16 N ATOM 611 CA PRO A 43 11.583 -4.272 3.868 1.00 0.16 C ATOM 612 C PRO A 43 10.376 -3.805 4.687 1.00 0.16 C ATOM 613 O PRO A 43 9.281 -3.680 4.148 1.00 0.22 O ATOM 614 CB PRO A 43 11.858 -3.297 2.716 1.00 0.16 C ATOM 615 CG PRO A 43 11.104 -3.858 1.562 1.00 0.16 C ATOM 616 CD PRO A 43 11.177 -5.350 1.719 1.00 0.15 C ATOM 0 HA PRO A 43 12.420 -4.358 4.561 1.00 0.16 H new ATOM 0 HB2 PRO A 43 11.519 -2.290 2.959 1.00 0.16 H new ATOM 0 HB3 PRO A 43 12.924 -3.231 2.499 1.00 0.16 H new ATOM 0 HG2 PRO A 43 10.070 -3.514 1.565 1.00 0.16 H new ATOM 0 HG3 PRO A 43 11.543 -3.541 0.616 1.00 0.16 H new ATOM 0 HD2 PRO A 43 10.298 -5.843 1.303 1.00 0.15 H new ATOM 0 HD3 PRO A 43 12.047 -5.767 1.211 1.00 0.15 H new ATOM 624 N GLU A 44 10.563 -3.540 5.978 1.00 0.22 N ATOM 625 CA GLU A 44 9.448 -3.128 6.825 1.00 0.24 C ATOM 626 C GLU A 44 8.802 -1.823 6.360 1.00 0.23 C ATOM 627 O GLU A 44 9.469 -0.918 5.859 1.00 0.25 O ATOM 628 CB GLU A 44 9.879 -3.005 8.275 1.00 0.32 C ATOM 629 CG GLU A 44 8.705 -2.819 9.209 1.00 0.41 C ATOM 630 CD GLU A 44 8.663 -1.434 9.824 1.00 0.89 C ATOM 631 OE1 GLU A 44 8.948 -0.455 9.101 1.00 1.31 O ATOM 632 OE2 GLU A 44 8.339 -1.325 11.025 1.00 1.31 O ATOM 0 H GLU A 44 11.463 -3.602 6.455 1.00 0.22 H new ATOM 0 HA GLU A 44 8.696 -3.913 6.740 1.00 0.24 H new ATOM 0 HB2 GLU A 44 10.432 -3.898 8.564 1.00 0.32 H new ATOM 0 HB3 GLU A 44 10.560 -2.161 8.379 1.00 0.32 H new ATOM 0 HG2 GLU A 44 7.779 -2.998 8.663 1.00 0.41 H new ATOM 0 HG3 GLU A 44 8.756 -3.564 10.003 1.00 0.41 H new ATOM 639 N LEU A 45 7.484 -1.756 6.540 1.00 0.22 N ATOM 640 CA LEU A 45 6.682 -0.596 6.149 1.00 0.23 C ATOM 641 C LEU A 45 6.530 0.410 7.298 1.00 0.19 C ATOM 642 O LEU A 45 6.464 0.022 8.464 1.00 0.20 O ATOM 643 CB LEU A 45 5.298 -1.072 5.713 1.00 0.32 C ATOM 644 CG LEU A 45 4.464 -1.702 6.828 1.00 0.38 C ATOM 645 CD1 LEU A 45 3.120 -1.023 6.941 1.00 1.16 C ATOM 646 CD2 LEU A 45 4.350 -3.204 6.653 1.00 1.17 C ATOM 0 H LEU A 45 6.939 -2.508 6.963 1.00 0.22 H new ATOM 0 HA LEU A 45 7.195 -0.092 5.330 1.00 0.23 H new ATOM 0 HB2 LEU A 45 4.750 -0.225 5.301 1.00 0.32 H new ATOM 0 HB3 LEU A 45 5.414 -1.798 4.909 1.00 0.32 H new ATOM 0 HG LEU A 45 4.980 -1.544 7.775 1.00 0.38 H new ATOM 0 HD11 LEU A 45 2.544 -1.488 7.741 1.00 1.16 H new ATOM 0 HD12 LEU A 45 3.264 0.034 7.165 1.00 1.16 H new ATOM 0 HD13 LEU A 45 2.581 -1.124 5.999 1.00 1.16 H new ATOM 0 HD21 LEU A 45 3.751 -3.620 7.463 1.00 1.17 H new ATOM 0 HD22 LEU A 45 3.873 -3.424 5.698 1.00 1.17 H new ATOM 0 HD23 LEU A 45 5.345 -3.649 6.672 1.00 1.17 H new ATOM 658 N PRO A 46 6.466 1.723 6.979 1.00 0.20 N ATOM 659 CA PRO A 46 6.300 2.775 7.984 1.00 0.19 C ATOM 660 C PRO A 46 4.856 2.924 8.474 1.00 0.16 C ATOM 661 O PRO A 46 4.554 2.585 9.617 1.00 0.19 O ATOM 662 CB PRO A 46 6.761 4.038 7.257 1.00 0.24 C ATOM 663 CG PRO A 46 6.503 3.768 5.814 1.00 0.27 C ATOM 664 CD PRO A 46 6.597 2.277 5.620 1.00 0.26 C ATOM 0 HA PRO A 46 6.867 2.555 8.889 1.00 0.19 H new ATOM 0 HB2 PRO A 46 6.210 4.914 7.599 1.00 0.24 H new ATOM 0 HB3 PRO A 46 7.818 4.235 7.439 1.00 0.24 H new ATOM 0 HG2 PRO A 46 5.518 4.133 5.524 1.00 0.27 H new ATOM 0 HG3 PRO A 46 7.231 4.285 5.189 1.00 0.27 H new ATOM 0 HD2 PRO A 46 5.808 1.911 4.964 1.00 0.26 H new ATOM 0 HD3 PRO A 46 7.546 1.994 5.165 1.00 0.26 H new ATOM 672 N VAL A 47 3.964 3.431 7.617 1.00 0.14 N ATOM 673 CA VAL A 47 2.564 3.610 8.008 1.00 0.14 C ATOM 674 C VAL A 47 1.831 2.280 7.973 1.00 0.15 C ATOM 675 O VAL A 47 1.967 1.512 7.026 1.00 0.14 O ATOM 676 CB VAL A 47 1.801 4.611 7.106 1.00 0.13 C ATOM 677 CG1 VAL A 47 1.601 4.041 5.718 1.00 0.12 C ATOM 678 CG2 VAL A 47 0.460 4.969 7.732 1.00 0.14 C ATOM 0 H VAL A 47 4.182 3.720 6.663 1.00 0.14 H new ATOM 0 HA VAL A 47 2.586 4.017 9.019 1.00 0.14 H new ATOM 0 HB VAL A 47 2.400 5.518 7.018 1.00 0.13 H new ATOM 0 HG11 VAL A 47 1.063 4.762 5.103 1.00 0.12 H new ATOM 0 HG12 VAL A 47 2.571 3.832 5.267 1.00 0.12 H new ATOM 0 HG13 VAL A 47 1.025 3.118 5.783 1.00 0.12 H new ATOM 0 HG21 VAL A 47 -0.066 5.673 7.088 1.00 0.14 H new ATOM 0 HG22 VAL A 47 -0.140 4.066 7.848 1.00 0.14 H new ATOM 0 HG23 VAL A 47 0.624 5.424 8.709 1.00 0.14 H new ATOM 688 N LYS A 48 1.044 2.025 9.001 1.00 0.19 N ATOM 689 CA LYS A 48 0.287 0.789 9.100 1.00 0.22 C ATOM 690 C LYS A 48 -1.189 1.103 9.270 1.00 0.27 C ATOM 691 O LYS A 48 -2.020 0.203 9.400 1.00 0.32 O ATOM 692 CB LYS A 48 0.778 -0.045 10.284 1.00 0.25 C ATOM 693 CG LYS A 48 2.292 -0.058 10.436 1.00 0.23 C ATOM 694 CD LYS A 48 2.735 0.680 11.692 1.00 0.24 C ATOM 695 CE LYS A 48 2.288 2.134 11.676 1.00 0.26 C ATOM 696 NZ LYS A 48 2.834 2.898 12.831 1.00 0.33 N ATOM 0 H LYS A 48 0.911 2.663 9.786 1.00 0.19 H new ATOM 0 HA LYS A 48 0.432 0.216 8.184 1.00 0.22 H new ATOM 0 HB2 LYS A 48 0.333 0.343 11.200 1.00 0.25 H new ATOM 0 HB3 LYS A 48 0.424 -1.069 10.167 1.00 0.25 H new ATOM 0 HG2 LYS A 48 2.646 -1.088 10.475 1.00 0.23 H new ATOM 0 HG3 LYS A 48 2.750 0.404 9.561 1.00 0.23 H new ATOM 0 HD2 LYS A 48 2.324 0.182 12.571 1.00 0.24 H new ATOM 0 HD3 LYS A 48 3.821 0.634 11.778 1.00 0.24 H new ATOM 0 HE2 LYS A 48 2.611 2.602 10.746 1.00 0.26 H new ATOM 0 HE3 LYS A 48 1.199 2.179 11.694 1.00 0.26 H new ATOM 0 HZ1 LYS A 48 2.505 3.883 12.782 1.00 0.33 H new ATOM 0 HZ2 LYS A 48 2.505 2.467 13.719 1.00 0.33 H new ATOM 0 HZ3 LYS A 48 3.873 2.878 12.800 1.00 0.33 H new ATOM 710 N GLU A 49 -1.502 2.394 9.276 1.00 0.27 N ATOM 711 CA GLU A 49 -2.876 2.842 9.438 1.00 0.34 C ATOM 712 C GLU A 49 -3.023 4.322 9.106 1.00 0.34 C ATOM 713 O GLU A 49 -2.161 5.139 9.429 1.00 0.39 O ATOM 714 CB GLU A 49 -3.350 2.587 10.862 1.00 0.41 C ATOM 715 CG GLU A 49 -4.829 2.872 11.071 1.00 0.61 C ATOM 716 CD GLU A 49 -5.317 2.449 12.443 1.00 0.74 C ATOM 717 OE1 GLU A 49 -5.220 3.265 13.384 1.00 0.83 O ATOM 718 OE2 GLU A 49 -5.798 1.305 12.575 1.00 0.87 O ATOM 0 H GLU A 49 -0.822 3.147 9.170 1.00 0.27 H new ATOM 0 HA GLU A 49 -3.492 2.273 8.742 1.00 0.34 H new ATOM 0 HB2 GLU A 49 -3.148 1.548 11.123 1.00 0.41 H new ATOM 0 HB3 GLU A 49 -2.769 3.206 11.546 1.00 0.41 H new ATOM 0 HG2 GLU A 49 -5.012 3.938 10.937 1.00 0.61 H new ATOM 0 HG3 GLU A 49 -5.407 2.351 10.308 1.00 0.61 H new ATOM 725 N ALA A 50 -4.129 4.643 8.458 1.00 0.36 N ATOM 726 CA ALA A 50 -4.448 6.011 8.073 1.00 0.36 C ATOM 727 C ALA A 50 -5.494 6.609 9.007 1.00 0.50 C ATOM 728 O ALA A 50 -5.212 7.516 9.791 1.00 1.30 O ATOM 729 CB ALA A 50 -4.971 6.029 6.647 1.00 0.29 C ATOM 0 H ALA A 50 -4.835 3.961 8.182 1.00 0.36 H new ATOM 0 HA ALA A 50 -3.540 6.610 8.142 1.00 0.36 H new ATOM 0 HB1 ALA A 50 -5.209 7.053 6.360 1.00 0.29 H new ATOM 0 HB2 ALA A 50 -4.210 5.632 5.975 1.00 0.29 H new ATOM 0 HB3 ALA A 50 -5.869 5.415 6.581 1.00 0.29 H new ATOM 735 N GLY A 51 -6.704 6.078 8.902 1.00 0.37 N ATOM 736 CA GLY A 51 -7.820 6.530 9.714 1.00 0.35 C ATOM 737 C GLY A 51 -9.025 5.646 9.489 1.00 0.33 C ATOM 738 O GLY A 51 -9.834 5.418 10.390 1.00 0.50 O ATOM 0 H GLY A 51 -6.937 5.325 8.254 1.00 0.37 H new ATOM 0 HA2 GLY A 51 -7.541 6.515 10.768 1.00 0.35 H new ATOM 0 HA3 GLY A 51 -8.066 7.562 9.464 1.00 0.35 H new ATOM 742 N GLY A 52 -9.129 5.149 8.262 1.00 0.19 N ATOM 743 CA GLY A 52 -10.198 4.257 7.882 1.00 0.18 C ATOM 744 C GLY A 52 -9.639 3.076 7.131 1.00 0.14 C ATOM 745 O GLY A 52 -10.353 2.133 6.813 1.00 0.16 O ATOM 0 H GLY A 52 -8.472 5.357 7.510 1.00 0.19 H new ATOM 0 HA2 GLY A 52 -10.731 3.915 8.769 1.00 0.18 H new ATOM 0 HA3 GLY A 52 -10.920 4.786 7.260 1.00 0.18 H new ATOM 749 N PHE A 53 -8.348 3.169 6.819 1.00 0.11 N ATOM 750 CA PHE A 53 -7.622 2.109 6.131 1.00 0.09 C ATOM 751 C PHE A 53 -6.400 1.705 6.954 1.00 0.11 C ATOM 752 O PHE A 53 -5.957 2.455 7.822 1.00 0.13 O ATOM 753 CB PHE A 53 -7.135 2.577 4.751 1.00 0.09 C ATOM 754 CG PHE A 53 -8.111 2.386 3.621 1.00 0.08 C ATOM 755 CD1 PHE A 53 -9.426 2.803 3.724 1.00 0.09 C ATOM 756 CD2 PHE A 53 -7.696 1.794 2.441 1.00 0.09 C ATOM 757 CE1 PHE A 53 -10.305 2.629 2.678 1.00 0.10 C ATOM 758 CE2 PHE A 53 -8.571 1.616 1.391 1.00 0.10 C ATOM 759 CZ PHE A 53 -9.878 2.033 1.509 1.00 0.10 C ATOM 0 H PHE A 53 -7.776 3.985 7.038 1.00 0.11 H new ATOM 0 HA PHE A 53 -8.302 1.266 6.007 1.00 0.09 H new ATOM 0 HB2 PHE A 53 -6.881 3.635 4.814 1.00 0.09 H new ATOM 0 HB3 PHE A 53 -6.216 2.043 4.509 1.00 0.09 H new ATOM 0 HD1 PHE A 53 -9.768 3.271 4.636 1.00 0.09 H new ATOM 0 HD2 PHE A 53 -6.672 1.467 2.341 1.00 0.09 H new ATOM 0 HE1 PHE A 53 -11.329 2.959 2.773 1.00 0.10 H new ATOM 0 HE2 PHE A 53 -8.232 1.150 0.477 1.00 0.10 H new ATOM 0 HZ PHE A 53 -10.567 1.894 0.689 1.00 0.10 H new ATOM 769 N CYS A 54 -5.865 0.522 6.683 1.00 0.13 N ATOM 770 CA CYS A 54 -4.659 0.063 7.363 1.00 0.16 C ATOM 771 C CYS A 54 -3.628 -0.288 6.312 1.00 0.14 C ATOM 772 O CYS A 54 -3.962 -0.821 5.255 1.00 0.14 O ATOM 773 CB CYS A 54 -4.923 -1.118 8.297 1.00 0.24 C ATOM 774 SG CYS A 54 -4.933 -2.740 7.479 1.00 1.41 S ATOM 0 H CYS A 54 -6.244 -0.135 6.001 1.00 0.13 H new ATOM 0 HA CYS A 54 -4.289 0.865 8.002 1.00 0.16 H new ATOM 0 HB2 CYS A 54 -4.163 -1.124 9.078 1.00 0.24 H new ATOM 0 HB3 CYS A 54 -5.884 -0.968 8.789 1.00 0.24 H new ATOM 779 N ILE A 55 -2.376 0.000 6.607 1.00 0.14 N ATOM 780 CA ILE A 55 -1.319 -0.187 5.636 1.00 0.13 C ATOM 781 C ILE A 55 -0.306 -1.270 6.007 1.00 0.13 C ATOM 782 O ILE A 55 -0.077 -1.570 7.177 1.00 0.15 O ATOM 783 CB ILE A 55 -0.598 1.155 5.430 1.00 0.12 C ATOM 784 CG1 ILE A 55 -1.600 2.228 4.994 1.00 0.11 C ATOM 785 CG2 ILE A 55 0.519 1.023 4.412 1.00 0.11 C ATOM 786 CD1 ILE A 55 -2.473 2.763 6.109 1.00 0.11 C ATOM 0 H ILE A 55 -2.067 0.363 7.509 1.00 0.14 H new ATOM 0 HA ILE A 55 -1.792 -0.533 4.717 1.00 0.13 H new ATOM 0 HB ILE A 55 -0.151 1.454 6.378 1.00 0.12 H new ATOM 0 HG12 ILE A 55 -1.053 3.058 4.548 1.00 0.11 H new ATOM 0 HG13 ILE A 55 -2.240 1.814 4.215 1.00 0.11 H new ATOM 0 HG21 ILE A 55 1.012 1.987 4.286 1.00 0.11 H new ATOM 0 HG22 ILE A 55 1.244 0.288 4.761 1.00 0.11 H new ATOM 0 HG23 ILE A 55 0.105 0.700 3.457 1.00 0.11 H new ATOM 0 HD11 ILE A 55 -3.151 3.517 5.710 1.00 0.11 H new ATOM 0 HD12 ILE A 55 -3.052 1.947 6.541 1.00 0.11 H new ATOM 0 HD13 ILE A 55 -1.845 3.211 6.880 1.00 0.11 H new ATOM 798 N ARG A 56 0.282 -1.848 4.961 1.00 0.13 N ATOM 799 CA ARG A 56 1.300 -2.893 5.083 1.00 0.14 C ATOM 800 C ARG A 56 2.232 -2.838 3.870 1.00 0.15 C ATOM 801 O ARG A 56 1.912 -2.212 2.859 1.00 0.29 O ATOM 802 CB ARG A 56 0.638 -4.272 5.178 1.00 0.14 C ATOM 803 CG ARG A 56 0.155 -4.639 6.573 1.00 0.23 C ATOM 804 CD ARG A 56 1.288 -5.155 7.442 1.00 0.29 C ATOM 805 NE ARG A 56 0.805 -5.650 8.730 1.00 0.43 N ATOM 806 CZ ARG A 56 1.602 -6.053 9.716 1.00 0.57 C ATOM 807 NH1 ARG A 56 2.920 -6.028 9.563 1.00 0.71 N ATOM 808 NH2 ARG A 56 1.080 -6.485 10.855 1.00 0.69 N ATOM 0 H ARG A 56 0.064 -1.603 3.995 1.00 0.13 H new ATOM 0 HA ARG A 56 1.879 -2.726 5.991 1.00 0.14 H new ATOM 0 HB2 ARG A 56 -0.209 -4.304 4.493 1.00 0.14 H new ATOM 0 HB3 ARG A 56 1.348 -5.027 4.842 1.00 0.14 H new ATOM 0 HG2 ARG A 56 -0.296 -3.765 7.044 1.00 0.23 H new ATOM 0 HG3 ARG A 56 -0.623 -5.399 6.501 1.00 0.23 H new ATOM 0 HD2 ARG A 56 1.811 -5.955 6.919 1.00 0.29 H new ATOM 0 HD3 ARG A 56 2.011 -4.356 7.608 1.00 0.29 H new ATOM 0 HE ARG A 56 -0.203 -5.689 8.882 1.00 0.43 H new ATOM 0 HH11 ARG A 56 3.326 -5.699 8.687 1.00 0.71 H new ATOM 0 HH12 ARG A 56 3.527 -6.338 10.322 1.00 0.71 H new ATOM 0 HH21 ARG A 56 0.067 -6.508 10.975 1.00 0.69 H new ATOM 0 HH22 ARG A 56 1.691 -6.794 11.611 1.00 0.69 H new ATOM 822 N MET A 57 3.380 -3.494 3.979 1.00 0.14 N ATOM 823 CA MET A 57 4.369 -3.510 2.907 1.00 0.14 C ATOM 824 C MET A 57 3.849 -4.216 1.665 1.00 0.13 C ATOM 825 O MET A 57 2.927 -5.027 1.748 1.00 0.15 O ATOM 826 CB MET A 57 5.659 -4.174 3.368 1.00 0.17 C ATOM 827 CG MET A 57 6.867 -3.738 2.561 1.00 0.18 C ATOM 828 SD MET A 57 7.897 -5.123 2.056 1.00 0.18 S ATOM 829 CE MET A 57 6.761 -5.995 0.988 1.00 0.15 C ATOM 0 H MET A 57 3.651 -4.026 4.806 1.00 0.14 H new ATOM 0 HA MET A 57 4.571 -2.470 2.649 1.00 0.14 H new ATOM 0 HB2 MET A 57 5.827 -3.940 4.419 1.00 0.17 H new ATOM 0 HB3 MET A 57 5.551 -5.256 3.295 1.00 0.17 H new ATOM 0 HG2 MET A 57 6.532 -3.197 1.676 1.00 0.18 H new ATOM 0 HG3 MET A 57 7.463 -3.043 3.153 1.00 0.18 H new ATOM 0 HE1 MET A 57 7.302 -6.757 0.426 1.00 0.15 H new ATOM 0 HE2 MET A 57 5.987 -6.470 1.591 1.00 0.15 H new ATOM 0 HE3 MET A 57 6.301 -5.291 0.295 1.00 0.15 H new ATOM 839 N SER A 58 4.419 -3.863 0.510 1.00 0.13 N ATOM 840 CA SER A 58 4.036 -4.462 -0.770 1.00 0.15 C ATOM 841 C SER A 58 3.846 -5.983 -0.653 1.00 0.16 C ATOM 842 O SER A 58 4.115 -6.570 0.385 1.00 0.18 O ATOM 843 CB SER A 58 5.081 -4.130 -1.842 1.00 0.15 C ATOM 844 OG SER A 58 4.827 -4.837 -3.043 1.00 0.52 O ATOM 0 H SER A 58 5.154 -3.159 0.436 1.00 0.13 H new ATOM 0 HA SER A 58 3.077 -4.036 -1.064 1.00 0.15 H new ATOM 0 HB2 SER A 58 5.075 -3.058 -2.040 1.00 0.15 H new ATOM 0 HB3 SER A 58 6.076 -4.380 -1.473 1.00 0.15 H new ATOM 0 HG SER A 58 5.507 -4.605 -3.709 1.00 0.52 H new ATOM 850 N GLY A 59 3.411 -6.604 -1.745 1.00 0.18 N ATOM 851 CA GLY A 59 3.122 -8.037 -1.779 1.00 0.21 C ATOM 852 C GLY A 59 4.193 -8.975 -1.255 1.00 0.22 C ATOM 853 O GLY A 59 4.949 -8.649 -0.346 1.00 0.21 O ATOM 0 H GLY A 59 3.248 -6.129 -2.633 1.00 0.18 H new ATOM 0 HA2 GLY A 59 2.211 -8.211 -1.206 1.00 0.21 H new ATOM 0 HA3 GLY A 59 2.907 -8.313 -2.811 1.00 0.21 H new ATOM 857 N GLN A 60 4.197 -10.180 -1.822 1.00 0.27 N ATOM 858 CA GLN A 60 5.136 -11.229 -1.448 1.00 0.30 C ATOM 859 C GLN A 60 6.573 -10.792 -1.648 1.00 0.26 C ATOM 860 O GLN A 60 6.909 -10.178 -2.651 1.00 0.25 O ATOM 861 CB GLN A 60 4.867 -12.486 -2.273 1.00 0.38 C ATOM 862 CG GLN A 60 4.304 -12.194 -3.654 1.00 0.72 C ATOM 863 CD GLN A 60 4.238 -13.429 -4.531 1.00 0.72 C ATOM 864 OE1 GLN A 60 3.239 -14.149 -4.538 1.00 1.13 O ATOM 865 NE2 GLN A 60 5.307 -13.680 -5.279 1.00 1.53 N ATOM 0 H GLN A 60 3.545 -10.455 -2.557 1.00 0.27 H new ATOM 0 HA GLN A 60 4.990 -11.441 -0.389 1.00 0.30 H new ATOM 0 HB2 GLN A 60 5.795 -13.047 -2.379 1.00 0.38 H new ATOM 0 HB3 GLN A 60 4.168 -13.124 -1.732 1.00 0.38 H new ATOM 0 HG2 GLN A 60 3.304 -11.771 -3.553 1.00 0.72 H new ATOM 0 HG3 GLN A 60 4.921 -11.439 -4.142 1.00 0.72 H new ATOM 0 HE21 GLN A 60 6.113 -13.056 -5.242 1.00 1.53 H new ATOM 0 HE22 GLN A 60 5.321 -14.496 -5.890 1.00 1.53 H new ATOM 874 N ALA A 61 7.412 -11.142 -0.681 1.00 0.27 N ATOM 875 CA ALA A 61 8.833 -10.803 -0.709 1.00 0.25 C ATOM 876 C ALA A 61 9.493 -11.212 -2.024 1.00 0.25 C ATOM 877 O ALA A 61 10.522 -10.656 -2.410 1.00 0.25 O ATOM 878 CB ALA A 61 9.539 -11.468 0.456 1.00 0.27 C ATOM 0 H ALA A 61 7.129 -11.669 0.145 1.00 0.27 H new ATOM 0 HA ALA A 61 8.919 -9.720 -0.624 1.00 0.25 H new ATOM 0 HB1 ALA A 61 10.599 -11.213 0.433 1.00 0.27 H new ATOM 0 HB2 ALA A 61 9.103 -11.120 1.392 1.00 0.27 H new ATOM 0 HB3 ALA A 61 9.424 -12.549 0.382 1.00 0.27 H new ATOM 884 N LYS A 62 8.900 -12.186 -2.703 1.00 0.29 N ATOM 885 CA LYS A 62 9.431 -12.680 -3.970 1.00 0.32 C ATOM 886 C LYS A 62 9.178 -11.668 -5.095 1.00 0.31 C ATOM 887 O LYS A 62 9.725 -11.779 -6.193 1.00 0.40 O ATOM 888 CB LYS A 62 8.792 -14.032 -4.283 1.00 0.38 C ATOM 889 CG LYS A 62 9.187 -14.627 -5.622 1.00 0.82 C ATOM 890 CD LYS A 62 10.363 -15.572 -5.474 1.00 1.03 C ATOM 891 CE LYS A 62 11.678 -14.826 -5.547 1.00 1.20 C ATOM 892 NZ LYS A 62 11.808 -14.050 -6.812 1.00 2.04 N ATOM 0 H LYS A 62 8.046 -12.653 -2.396 1.00 0.29 H new ATOM 0 HA LYS A 62 10.510 -12.809 -3.890 1.00 0.32 H new ATOM 0 HB2 LYS A 62 9.060 -14.736 -3.495 1.00 0.38 H new ATOM 0 HB3 LYS A 62 7.708 -13.921 -4.256 1.00 0.38 H new ATOM 0 HG2 LYS A 62 8.339 -15.161 -6.050 1.00 0.82 H new ATOM 0 HG3 LYS A 62 9.444 -13.828 -6.317 1.00 0.82 H new ATOM 0 HD2 LYS A 62 10.293 -16.098 -4.522 1.00 1.03 H new ATOM 0 HD3 LYS A 62 10.327 -16.328 -6.259 1.00 1.03 H new ATOM 0 HE2 LYS A 62 11.759 -14.149 -4.696 1.00 1.20 H new ATOM 0 HE3 LYS A 62 12.502 -15.535 -5.470 1.00 1.20 H new ATOM 0 HZ1 LYS A 62 12.801 -14.056 -7.122 1.00 2.04 H new ATOM 0 HZ2 LYS A 62 11.213 -14.482 -7.547 1.00 2.04 H new ATOM 0 HZ3 LYS A 62 11.501 -13.069 -6.651 1.00 2.04 H new ATOM 906 N GLY A 63 8.354 -10.673 -4.791 1.00 0.26 N ATOM 907 CA GLY A 63 8.018 -9.628 -5.744 1.00 0.28 C ATOM 908 C GLY A 63 7.837 -8.303 -5.053 1.00 0.24 C ATOM 909 O GLY A 63 6.720 -7.791 -4.955 1.00 0.24 O ATOM 0 H GLY A 63 7.903 -10.570 -3.882 1.00 0.26 H new ATOM 0 HA2 GLY A 63 8.806 -9.547 -6.492 1.00 0.28 H new ATOM 0 HA3 GLY A 63 7.103 -9.894 -6.273 1.00 0.28 H new ATOM 913 N ILE A 64 8.940 -7.736 -4.589 1.00 0.21 N ATOM 914 CA ILE A 64 8.896 -6.492 -3.845 1.00 0.17 C ATOM 915 C ILE A 64 9.534 -5.321 -4.564 1.00 0.17 C ATOM 916 O ILE A 64 10.524 -5.454 -5.282 1.00 0.19 O ATOM 917 CB ILE A 64 9.501 -6.709 -2.446 1.00 0.15 C ATOM 918 CG1 ILE A 64 8.630 -7.690 -1.679 1.00 0.17 C ATOM 919 CG2 ILE A 64 9.628 -5.423 -1.664 1.00 0.14 C ATOM 920 CD1 ILE A 64 7.153 -7.544 -1.973 1.00 0.17 C ATOM 0 H ILE A 64 9.876 -8.120 -4.716 1.00 0.21 H new ATOM 0 HA ILE A 64 7.847 -6.212 -3.747 1.00 0.17 H new ATOM 0 HB ILE A 64 10.508 -7.105 -2.576 1.00 0.15 H new ATOM 0 HG12 ILE A 64 8.942 -8.706 -1.921 1.00 0.17 H new ATOM 0 HG13 ILE A 64 8.795 -7.552 -0.610 1.00 0.17 H new ATOM 0 HG21 ILE A 64 10.060 -5.633 -0.686 1.00 0.14 H new ATOM 0 HG22 ILE A 64 10.274 -4.731 -2.204 1.00 0.14 H new ATOM 0 HG23 ILE A 64 8.642 -4.976 -1.537 1.00 0.14 H new ATOM 0 HD11 ILE A 64 6.592 -8.275 -1.391 1.00 0.17 H new ATOM 0 HD12 ILE A 64 6.826 -6.539 -1.705 1.00 0.17 H new ATOM 0 HD13 ILE A 64 6.975 -7.712 -3.035 1.00 0.17 H new ATOM 932 N LEU A 65 8.894 -4.177 -4.352 1.00 0.17 N ATOM 933 CA LEU A 65 9.268 -2.900 -4.936 1.00 0.18 C ATOM 934 C LEU A 65 10.745 -2.791 -5.293 1.00 0.18 C ATOM 935 O LEU A 65 11.620 -3.271 -4.572 1.00 0.21 O ATOM 936 CB LEU A 65 8.890 -1.786 -3.969 1.00 0.18 C ATOM 937 CG LEU A 65 8.809 -2.202 -2.512 1.00 0.14 C ATOM 938 CD1 LEU A 65 10.203 -2.262 -1.913 1.00 0.16 C ATOM 939 CD2 LEU A 65 7.939 -1.234 -1.735 1.00 0.16 C ATOM 0 H LEU A 65 8.074 -4.114 -3.749 1.00 0.17 H new ATOM 0 HA LEU A 65 8.724 -2.811 -5.877 1.00 0.18 H new ATOM 0 HB2 LEU A 65 9.620 -0.982 -4.062 1.00 0.18 H new ATOM 0 HB3 LEU A 65 7.925 -1.377 -4.269 1.00 0.18 H new ATOM 0 HG LEU A 65 8.358 -3.193 -2.452 1.00 0.14 H new ATOM 0 HD11 LEU A 65 10.137 -2.561 -0.867 1.00 0.16 H new ATOM 0 HD12 LEU A 65 10.804 -2.988 -2.461 1.00 0.16 H new ATOM 0 HD13 LEU A 65 10.671 -1.280 -1.981 1.00 0.16 H new ATOM 0 HD21 LEU A 65 7.890 -1.545 -0.692 1.00 0.16 H new ATOM 0 HD22 LEU A 65 8.365 -0.233 -1.795 1.00 0.16 H new ATOM 0 HD23 LEU A 65 6.935 -1.227 -2.159 1.00 0.16 H new ATOM 951 N GLU A 66 10.999 -2.128 -6.417 1.00 0.23 N ATOM 952 CA GLU A 66 12.353 -1.907 -6.914 1.00 0.29 C ATOM 953 C GLU A 66 12.348 -0.704 -7.842 1.00 0.40 C ATOM 954 O GLU A 66 11.753 -0.744 -8.919 1.00 0.46 O ATOM 955 CB GLU A 66 12.876 -3.149 -7.636 1.00 0.30 C ATOM 956 CG GLU A 66 13.729 -4.041 -6.751 1.00 0.39 C ATOM 957 CD GLU A 66 15.135 -3.504 -6.568 1.00 1.02 C ATOM 958 OE1 GLU A 66 15.345 -2.694 -5.641 1.00 1.41 O ATOM 959 OE2 GLU A 66 16.025 -3.895 -7.351 1.00 1.54 O ATOM 0 H GLU A 66 10.271 -1.728 -7.010 1.00 0.23 H new ATOM 0 HA GLU A 66 13.020 -1.712 -6.074 1.00 0.29 H new ATOM 0 HB2 GLU A 66 12.031 -3.724 -8.014 1.00 0.30 H new ATOM 0 HB3 GLU A 66 13.462 -2.839 -8.501 1.00 0.30 H new ATOM 0 HG2 GLU A 66 13.253 -4.142 -5.776 1.00 0.39 H new ATOM 0 HG3 GLU A 66 13.779 -5.039 -7.187 1.00 0.39 H new ATOM 966 N GLY A 67 13.011 0.368 -7.423 1.00 0.46 N ATOM 967 CA GLY A 67 13.001 1.586 -8.208 1.00 0.57 C ATOM 968 C GLY A 67 11.685 2.302 -8.003 1.00 0.52 C ATOM 969 O GLY A 67 11.449 3.392 -8.527 1.00 0.60 O ATOM 0 H GLY A 67 13.552 0.415 -6.559 1.00 0.46 H new ATOM 0 HA2 GLY A 67 13.829 2.230 -7.911 1.00 0.57 H new ATOM 0 HA3 GLY A 67 13.141 1.353 -9.264 1.00 0.57 H new ATOM 973 N LYS A 68 10.831 1.651 -7.217 1.00 0.38 N ATOM 974 CA LYS A 68 9.509 2.144 -6.872 1.00 0.32 C ATOM 975 C LYS A 68 9.237 1.809 -5.417 1.00 0.20 C ATOM 976 O LYS A 68 9.593 0.724 -4.971 1.00 0.18 O ATOM 977 CB LYS A 68 8.443 1.448 -7.735 1.00 0.37 C ATOM 978 CG LYS A 68 7.763 0.282 -7.018 1.00 0.44 C ATOM 979 CD LYS A 68 6.690 -0.382 -7.859 1.00 0.48 C ATOM 980 CE LYS A 68 6.253 -1.692 -7.231 1.00 0.47 C ATOM 981 NZ LYS A 68 5.303 -2.437 -8.105 1.00 0.83 N ATOM 0 H LYS A 68 11.047 0.748 -6.796 1.00 0.38 H new ATOM 0 HA LYS A 68 9.469 3.220 -7.042 1.00 0.32 H new ATOM 0 HB2 LYS A 68 7.688 2.177 -8.028 1.00 0.37 H new ATOM 0 HB3 LYS A 68 8.907 1.083 -8.652 1.00 0.37 H new ATOM 0 HG2 LYS A 68 8.515 -0.459 -6.746 1.00 0.44 H new ATOM 0 HG3 LYS A 68 7.319 0.642 -6.090 1.00 0.44 H new ATOM 0 HD2 LYS A 68 5.833 0.284 -7.957 1.00 0.48 H new ATOM 0 HD3 LYS A 68 7.069 -0.563 -8.865 1.00 0.48 H new ATOM 0 HE2 LYS A 68 7.129 -2.311 -7.036 1.00 0.47 H new ATOM 0 HE3 LYS A 68 5.782 -1.494 -6.268 1.00 0.47 H new ATOM 0 HZ1 LYS A 68 5.028 -3.326 -7.641 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 4.456 -1.857 -8.271 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 5.761 -2.649 -9.014 1.00 0.83 H new ATOM 995 N PHE A 69 8.674 2.725 -4.648 1.00 0.16 N ATOM 996 CA PHE A 69 8.351 2.393 -3.267 1.00 0.18 C ATOM 997 C PHE A 69 6.860 2.561 -3.086 1.00 0.23 C ATOM 998 O PHE A 69 6.362 3.673 -3.156 1.00 0.34 O ATOM 999 CB PHE A 69 9.137 3.258 -2.283 1.00 0.31 C ATOM 1000 CG PHE A 69 10.494 3.674 -2.785 1.00 1.13 C ATOM 1001 CD1 PHE A 69 11.341 2.769 -3.408 1.00 1.76 C ATOM 1002 CD2 PHE A 69 10.912 4.978 -2.636 1.00 1.32 C ATOM 1003 CE1 PHE A 69 12.581 3.166 -3.872 1.00 2.54 C ATOM 1004 CE2 PHE A 69 12.149 5.385 -3.097 1.00 2.09 C ATOM 1005 CZ PHE A 69 12.984 4.477 -3.716 1.00 2.69 C ATOM 0 H PHE A 69 8.437 3.673 -4.940 1.00 0.16 H new ATOM 0 HA PHE A 69 8.636 1.362 -3.057 1.00 0.18 H new ATOM 0 HB2 PHE A 69 8.555 4.151 -2.055 1.00 0.31 H new ATOM 0 HB3 PHE A 69 9.258 2.709 -1.349 1.00 0.31 H new ATOM 0 HD1 PHE A 69 11.028 1.743 -3.532 1.00 1.76 H new ATOM 0 HD2 PHE A 69 10.263 5.693 -2.152 1.00 1.32 H new ATOM 0 HE1 PHE A 69 13.232 2.453 -4.355 1.00 2.54 H new ATOM 0 HE2 PHE A 69 12.462 6.411 -2.973 1.00 2.09 H new ATOM 0 HZ PHE A 69 13.952 4.792 -4.078 1.00 2.69 H new ATOM 1015 N THR A 70 6.154 1.483 -2.787 1.00 0.20 N ATOM 1016 CA THR A 70 4.702 1.577 -2.674 1.00 0.24 C ATOM 1017 C THR A 70 4.118 0.779 -1.530 1.00 0.24 C ATOM 1018 O THR A 70 4.548 -0.337 -1.237 1.00 0.34 O ATOM 1019 CB THR A 70 4.012 1.088 -3.962 1.00 0.26 C ATOM 1020 OG1 THR A 70 4.871 1.284 -5.086 1.00 0.29 O ATOM 1021 CG2 THR A 70 2.694 1.828 -4.184 1.00 0.28 C ATOM 0 H THR A 70 6.545 0.556 -2.622 1.00 0.20 H new ATOM 0 HA THR A 70 4.515 2.635 -2.492 1.00 0.24 H new ATOM 0 HB THR A 70 3.801 0.024 -3.853 1.00 0.26 H new ATOM 0 HG1 THR A 70 4.423 0.969 -5.899 1.00 0.29 H new ATOM 0 HG21 THR A 70 2.224 1.467 -5.099 1.00 0.28 H new ATOM 0 HG22 THR A 70 2.029 1.649 -3.339 1.00 0.28 H new ATOM 0 HG23 THR A 70 2.887 2.897 -4.273 1.00 0.28 H new ATOM 1029 N LEU A 71 3.121 1.377 -0.898 1.00 0.16 N ATOM 1030 CA LEU A 71 2.392 0.733 0.178 1.00 0.15 C ATOM 1031 C LEU A 71 0.914 0.700 -0.152 1.00 0.14 C ATOM 1032 O LEU A 71 0.396 1.606 -0.803 1.00 0.15 O ATOM 1033 CB LEU A 71 2.587 1.454 1.503 1.00 0.16 C ATOM 1034 CG LEU A 71 3.936 1.247 2.183 1.00 0.20 C ATOM 1035 CD1 LEU A 71 3.790 1.412 3.683 1.00 0.39 C ATOM 1036 CD2 LEU A 71 4.535 -0.117 1.858 1.00 0.25 C ATOM 0 H LEU A 71 2.797 2.319 -1.117 1.00 0.16 H new ATOM 0 HA LEU A 71 2.782 -0.280 0.278 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.446 2.522 1.337 1.00 0.16 H new ATOM 0 HB3 LEU A 71 1.803 1.131 2.189 1.00 0.16 H new ATOM 0 HG LEU A 71 4.620 2.003 1.799 1.00 0.20 H new ATOM 0 HD11 LEU A 71 4.758 1.263 4.161 1.00 0.39 H new ATOM 0 HD12 LEU A 71 3.427 2.415 3.905 1.00 0.39 H new ATOM 0 HD13 LEU A 71 3.080 0.677 4.063 1.00 0.39 H new ATOM 0 HD21 LEU A 71 5.495 -0.222 2.363 1.00 0.25 H new ATOM 0 HD22 LEU A 71 3.859 -0.902 2.197 1.00 0.25 H new ATOM 0 HD23 LEU A 71 4.680 -0.204 0.781 1.00 0.25 H new ATOM 1048 N LYS A 72 0.238 -0.342 0.296 1.00 0.18 N ATOM 1049 CA LYS A 72 -1.184 -0.469 0.048 1.00 0.18 C ATOM 1050 C LYS A 72 -1.960 -0.415 1.342 1.00 0.20 C ATOM 1051 O LYS A 72 -1.553 -0.973 2.361 1.00 0.36 O ATOM 1052 CB LYS A 72 -1.494 -1.769 -0.683 1.00 0.24 C ATOM 1053 CG LYS A 72 -2.981 -2.042 -0.858 1.00 0.30 C ATOM 1054 CD LYS A 72 -3.317 -3.500 -0.578 1.00 1.09 C ATOM 1055 CE LYS A 72 -3.099 -3.851 0.886 1.00 2.45 C ATOM 1056 NZ LYS A 72 -3.446 -5.270 1.177 1.00 3.31 N ATOM 0 H LYS A 72 0.649 -1.108 0.830 1.00 0.18 H new ATOM 0 HA LYS A 72 -1.487 0.368 -0.581 1.00 0.18 H new ATOM 0 HB2 LYS A 72 -1.022 -1.743 -1.665 1.00 0.24 H new ATOM 0 HB3 LYS A 72 -1.045 -2.598 -0.135 1.00 0.24 H new ATOM 0 HG2 LYS A 72 -3.551 -1.401 -0.186 1.00 0.30 H new ATOM 0 HG3 LYS A 72 -3.282 -1.787 -1.874 1.00 0.30 H new ATOM 0 HD2 LYS A 72 -4.355 -3.694 -0.849 1.00 1.09 H new ATOM 0 HD3 LYS A 72 -2.699 -4.144 -1.204 1.00 1.09 H new ATOM 0 HE2 LYS A 72 -2.057 -3.671 1.151 1.00 2.45 H new ATOM 0 HE3 LYS A 72 -3.705 -3.194 1.510 1.00 2.45 H new ATOM 0 HZ1 LYS A 72 -4.035 -5.315 2.033 1.00 3.31 H new ATOM 0 HZ2 LYS A 72 -3.972 -5.671 0.374 1.00 3.31 H new ATOM 0 HZ3 LYS A 72 -2.574 -5.817 1.327 1.00 3.31 H new ATOM 1070 N ALA A 73 -3.083 0.264 1.280 1.00 0.12 N ATOM 1071 CA ALA A 73 -3.950 0.414 2.417 1.00 0.11 C ATOM 1072 C ALA A 73 -5.271 -0.284 2.156 1.00 0.10 C ATOM 1073 O ALA A 73 -5.736 -0.340 1.020 1.00 0.12 O ATOM 1074 CB ALA A 73 -4.164 1.890 2.681 1.00 0.10 C ATOM 0 H ALA A 73 -3.418 0.727 0.435 1.00 0.12 H new ATOM 0 HA ALA A 73 -3.494 -0.043 3.295 1.00 0.11 H new ATOM 0 HB1 ALA A 73 -4.821 2.014 3.542 1.00 0.10 H new ATOM 0 HB2 ALA A 73 -3.205 2.366 2.885 1.00 0.10 H new ATOM 0 HB3 ALA A 73 -4.621 2.354 1.807 1.00 0.10 H new ATOM 1080 N VAL A 74 -5.877 -0.803 3.208 1.00 0.09 N ATOM 1081 CA VAL A 74 -7.143 -1.503 3.085 1.00 0.09 C ATOM 1082 C VAL A 74 -8.159 -0.965 4.076 1.00 0.10 C ATOM 1083 O VAL A 74 -7.832 -0.670 5.219 1.00 0.19 O ATOM 1084 CB VAL A 74 -6.948 -3.013 3.290 1.00 0.12 C ATOM 1085 CG1 VAL A 74 -8.270 -3.712 3.600 1.00 0.13 C ATOM 1086 CG2 VAL A 74 -6.296 -3.611 2.060 1.00 0.13 C ATOM 0 H VAL A 74 -5.512 -0.753 4.159 1.00 0.09 H new ATOM 0 HA VAL A 74 -7.524 -1.334 2.078 1.00 0.09 H new ATOM 0 HB VAL A 74 -6.296 -3.164 4.150 1.00 0.12 H new ATOM 0 HG11 VAL A 74 -8.094 -4.779 3.739 1.00 0.13 H new ATOM 0 HG12 VAL A 74 -8.698 -3.293 4.511 1.00 0.13 H new ATOM 0 HG13 VAL A 74 -8.963 -3.564 2.772 1.00 0.13 H new ATOM 0 HG21 VAL A 74 -6.158 -4.682 2.206 1.00 0.13 H new ATOM 0 HG22 VAL A 74 -6.933 -3.442 1.192 1.00 0.13 H new ATOM 0 HG23 VAL A 74 -5.327 -3.139 1.896 1.00 0.13 H new ATOM 1096 N ALA A 75 -9.391 -0.829 3.624 1.00 0.10 N ATOM 1097 CA ALA A 75 -10.451 -0.318 4.471 1.00 0.11 C ATOM 1098 C ALA A 75 -10.635 -1.172 5.710 1.00 0.11 C ATOM 1099 O ALA A 75 -10.757 -2.390 5.633 1.00 0.19 O ATOM 1100 CB ALA A 75 -11.747 -0.237 3.693 1.00 0.12 C ATOM 0 H ALA A 75 -9.682 -1.065 2.675 1.00 0.10 H new ATOM 0 HA ALA A 75 -10.165 0.682 4.797 1.00 0.11 H new ATOM 0 HB1 ALA A 75 -12.536 0.148 4.339 1.00 0.12 H new ATOM 0 HB2 ALA A 75 -11.618 0.430 2.840 1.00 0.12 H new ATOM 0 HB3 ALA A 75 -12.021 -1.231 3.338 1.00 0.12 H new ATOM 1106 N LEU A 76 -10.625 -0.517 6.855 1.00 0.11 N ATOM 1107 CA LEU A 76 -10.829 -1.186 8.121 1.00 0.11 C ATOM 1108 C LEU A 76 -12.233 -1.762 8.125 1.00 0.12 C ATOM 1109 O LEU A 76 -12.496 -2.822 8.691 1.00 0.15 O ATOM 1110 CB LEU A 76 -10.616 -0.184 9.249 1.00 0.12 C ATOM 1111 CG LEU A 76 -9.258 0.508 9.183 1.00 0.14 C ATOM 1112 CD1 LEU A 76 -9.197 1.718 10.101 1.00 0.16 C ATOM 1113 CD2 LEU A 76 -8.153 -0.482 9.519 1.00 0.18 C ATOM 0 H LEU A 76 -10.476 0.489 6.932 1.00 0.11 H new ATOM 0 HA LEU A 76 -10.120 -2.001 8.267 1.00 0.11 H new ATOM 0 HB2 LEU A 76 -11.403 0.569 9.212 1.00 0.12 H new ATOM 0 HB3 LEU A 76 -10.710 -0.697 10.206 1.00 0.12 H new ATOM 0 HG LEU A 76 -9.113 0.870 8.165 1.00 0.14 H new ATOM 0 HD11 LEU A 76 -8.214 2.183 10.025 1.00 0.16 H new ATOM 0 HD12 LEU A 76 -9.962 2.437 9.807 1.00 0.16 H new ATOM 0 HD13 LEU A 76 -9.371 1.403 11.130 1.00 0.16 H new ATOM 0 HD21 LEU A 76 -7.187 0.020 9.469 1.00 0.18 H new ATOM 0 HD22 LEU A 76 -8.308 -0.872 10.525 1.00 0.18 H new ATOM 0 HD23 LEU A 76 -8.171 -1.304 8.804 1.00 0.18 H new ATOM 1125 N ASP A 77 -13.127 -1.024 7.481 1.00 0.13 N ATOM 1126 CA ASP A 77 -14.514 -1.434 7.322 1.00 0.17 C ATOM 1127 C ASP A 77 -14.691 -2.080 5.954 1.00 0.17 C ATOM 1128 O ASP A 77 -15.774 -2.033 5.381 1.00 0.21 O ATOM 1129 CB ASP A 77 -15.467 -0.243 7.455 1.00 0.22 C ATOM 1130 CG ASP A 77 -15.050 0.717 8.552 1.00 0.24 C ATOM 1131 OD1 ASP A 77 -14.250 1.633 8.267 1.00 0.26 O ATOM 1132 OD2 ASP A 77 -15.521 0.551 9.697 1.00 0.28 O ATOM 0 H ASP A 77 -12.910 -0.123 7.054 1.00 0.13 H new ATOM 0 HA ASP A 77 -14.755 -2.147 8.110 1.00 0.17 H new ATOM 0 HB2 ASP A 77 -15.509 0.292 6.506 1.00 0.22 H new ATOM 0 HB3 ASP A 77 -16.473 -0.609 7.660 1.00 0.22 H new ATOM 1137 N ARG A 78 -13.602 -2.638 5.420 1.00 0.15 N ATOM 1138 CA ARG A 78 -13.612 -3.265 4.105 1.00 0.17 C ATOM 1139 C ARG A 78 -14.796 -4.201 3.906 1.00 0.23 C ATOM 1140 O ARG A 78 -15.263 -4.374 2.780 1.00 0.25 O ATOM 1141 CB ARG A 78 -12.318 -4.003 3.859 1.00 0.21 C ATOM 1142 CG ARG A 78 -11.929 -4.967 4.953 1.00 0.33 C ATOM 1143 CD ARG A 78 -10.846 -5.869 4.439 1.00 0.47 C ATOM 1144 NE ARG A 78 -11.371 -7.154 3.980 1.00 0.47 N ATOM 1145 CZ ARG A 78 -11.180 -7.636 2.756 1.00 0.67 C ATOM 1146 NH1 ARG A 78 -10.483 -6.943 1.867 1.00 1.10 N ATOM 1147 NH2 ARG A 78 -11.689 -8.814 2.419 1.00 0.79 N ATOM 0 H ARG A 78 -12.696 -2.666 5.887 1.00 0.15 H new ATOM 0 HA ARG A 78 -13.715 -2.460 3.377 1.00 0.17 H new ATOM 0 HB2 ARG A 78 -12.400 -4.552 2.921 1.00 0.21 H new ATOM 0 HB3 ARG A 78 -11.517 -3.274 3.733 1.00 0.21 H new ATOM 0 HG2 ARG A 78 -11.581 -4.422 5.831 1.00 0.33 H new ATOM 0 HG3 ARG A 78 -12.793 -5.554 5.264 1.00 0.33 H new ATOM 0 HD2 ARG A 78 -10.325 -5.377 3.618 1.00 0.47 H new ATOM 0 HD3 ARG A 78 -10.112 -6.039 5.227 1.00 0.47 H new ATOM 0 HE ARG A 78 -11.915 -7.713 4.637 1.00 0.47 H new ATOM 0 HH11 ARG A 78 -10.091 -6.036 2.121 1.00 1.10 H new ATOM 0 HH12 ARG A 78 -10.339 -7.316 0.929 1.00 1.10 H new ATOM 0 HH21 ARG A 78 -12.227 -9.350 3.099 1.00 0.79 H new ATOM 0 HH22 ARG A 78 -11.542 -9.183 1.480 1.00 0.79 H new ATOM 1161 N GLU A 79 -15.273 -4.817 4.985 1.00 0.27 N ATOM 1162 CA GLU A 79 -16.429 -5.705 4.892 1.00 0.34 C ATOM 1163 C GLU A 79 -17.533 -4.979 4.145 1.00 0.35 C ATOM 1164 O GLU A 79 -18.395 -5.580 3.504 1.00 0.40 O ATOM 1165 CB GLU A 79 -16.915 -6.097 6.285 1.00 0.38 C ATOM 1166 CG GLU A 79 -15.796 -6.509 7.224 1.00 0.37 C ATOM 1167 CD GLU A 79 -16.295 -6.837 8.617 1.00 0.45 C ATOM 1168 OE1 GLU A 79 -16.664 -8.005 8.856 1.00 0.53 O ATOM 1169 OE2 GLU A 79 -16.316 -5.923 9.470 1.00 0.48 O ATOM 0 H GLU A 79 -14.883 -4.720 5.923 1.00 0.27 H new ATOM 0 HA GLU A 79 -16.150 -6.615 4.361 1.00 0.34 H new ATOM 0 HB2 GLU A 79 -17.455 -5.257 6.722 1.00 0.38 H new ATOM 0 HB3 GLU A 79 -17.624 -6.920 6.195 1.00 0.38 H new ATOM 0 HG2 GLU A 79 -15.282 -7.378 6.812 1.00 0.37 H new ATOM 0 HG3 GLU A 79 -15.063 -5.705 7.285 1.00 0.37 H new ATOM 1176 N ALA A 80 -17.471 -3.664 4.259 1.00 0.31 N ATOM 1177 CA ALA A 80 -18.401 -2.760 3.622 1.00 0.33 C ATOM 1178 C ALA A 80 -17.730 -2.003 2.474 1.00 0.29 C ATOM 1179 O ALA A 80 -18.400 -1.534 1.555 1.00 0.31 O ATOM 1180 CB ALA A 80 -18.922 -1.777 4.657 1.00 0.34 C ATOM 0 H ALA A 80 -16.756 -3.189 4.810 1.00 0.31 H new ATOM 0 HA ALA A 80 -19.227 -3.337 3.207 1.00 0.33 H new ATOM 0 HB1 ALA A 80 -19.625 -1.090 4.185 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -19.427 -2.322 5.455 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -18.088 -1.213 5.075 1.00 0.34 H new ATOM 1186 N GLU A 81 -16.399 -1.892 2.533 1.00 0.24 N ATOM 1187 CA GLU A 81 -15.641 -1.166 1.513 1.00 0.20 C ATOM 1188 C GLU A 81 -14.493 -2.004 0.934 1.00 0.17 C ATOM 1189 O GLU A 81 -13.364 -1.936 1.419 1.00 0.16 O ATOM 1190 CB GLU A 81 -15.074 0.120 2.114 1.00 0.19 C ATOM 1191 CG GLU A 81 -15.854 0.635 3.314 1.00 0.26 C ATOM 1192 CD GLU A 81 -15.340 1.972 3.812 1.00 1.21 C ATOM 1193 OE1 GLU A 81 -14.380 1.978 4.612 1.00 2.18 O ATOM 1194 OE2 GLU A 81 -15.896 3.013 3.403 1.00 1.14 O ATOM 0 H GLU A 81 -15.827 -2.295 3.275 1.00 0.24 H new ATOM 0 HA GLU A 81 -16.328 -0.937 0.698 1.00 0.20 H new ATOM 0 HB2 GLU A 81 -14.040 -0.055 2.413 1.00 0.19 H new ATOM 0 HB3 GLU A 81 -15.057 0.892 1.345 1.00 0.19 H new ATOM 0 HG2 GLU A 81 -16.906 0.731 3.045 1.00 0.26 H new ATOM 0 HG3 GLU A 81 -15.797 -0.096 4.121 1.00 0.26 H new ATOM 1201 N PRO A 82 -14.758 -2.792 -0.126 1.00 0.23 N ATOM 1202 CA PRO A 82 -13.732 -3.627 -0.768 1.00 0.23 C ATOM 1203 C PRO A 82 -12.612 -2.793 -1.381 1.00 0.18 C ATOM 1204 O PRO A 82 -11.546 -3.315 -1.714 1.00 0.19 O ATOM 1205 CB PRO A 82 -14.497 -4.361 -1.877 1.00 0.30 C ATOM 1206 CG PRO A 82 -15.715 -3.533 -2.112 1.00 0.35 C ATOM 1207 CD PRO A 82 -16.067 -2.937 -0.781 1.00 0.34 C ATOM 0 HA PRO A 82 -13.250 -4.291 -0.050 1.00 0.23 H new ATOM 0 HB2 PRO A 82 -13.896 -4.446 -2.782 1.00 0.30 H new ATOM 0 HB3 PRO A 82 -14.760 -5.374 -1.572 1.00 0.30 H new ATOM 0 HG2 PRO A 82 -15.522 -2.755 -2.850 1.00 0.35 H new ATOM 0 HG3 PRO A 82 -16.533 -4.142 -2.497 1.00 0.35 H new ATOM 0 HD2 PRO A 82 -16.572 -1.977 -0.890 1.00 0.34 H new ATOM 0 HD3 PRO A 82 -16.733 -3.585 -0.212 1.00 0.34 H new ATOM 1215 N ARG A 83 -12.862 -1.496 -1.530 1.00 0.15 N ATOM 1216 CA ARG A 83 -11.887 -0.587 -2.122 1.00 0.13 C ATOM 1217 C ARG A 83 -10.551 -0.608 -1.386 1.00 0.12 C ATOM 1218 O ARG A 83 -10.493 -0.701 -0.161 1.00 0.18 O ATOM 1219 CB ARG A 83 -12.431 0.841 -2.175 1.00 0.14 C ATOM 1220 CG ARG A 83 -13.264 1.115 -3.417 1.00 0.19 C ATOM 1221 CD ARG A 83 -13.521 2.600 -3.604 1.00 0.26 C ATOM 1222 NE ARG A 83 -14.274 2.876 -4.825 1.00 0.50 N ATOM 1223 CZ ARG A 83 -14.284 4.059 -5.433 1.00 0.59 C ATOM 1224 NH1 ARG A 83 -13.583 5.070 -4.939 1.00 0.60 N ATOM 1225 NH2 ARG A 83 -14.995 4.231 -6.541 1.00 0.89 N ATOM 0 H ARG A 83 -13.735 -1.050 -1.248 1.00 0.15 H new ATOM 0 HA ARG A 83 -11.710 -0.940 -3.138 1.00 0.13 H new ATOM 0 HB2 ARG A 83 -13.039 1.025 -1.289 1.00 0.14 H new ATOM 0 HB3 ARG A 83 -11.598 1.543 -2.141 1.00 0.14 H new ATOM 0 HG2 ARG A 83 -12.750 0.721 -4.294 1.00 0.19 H new ATOM 0 HG3 ARG A 83 -14.215 0.588 -3.341 1.00 0.19 H new ATOM 0 HD2 ARG A 83 -14.071 2.984 -2.745 1.00 0.26 H new ATOM 0 HD3 ARG A 83 -12.570 3.131 -3.637 1.00 0.26 H new ATOM 0 HE ARG A 83 -14.823 2.120 -5.234 1.00 0.50 H new ATOM 0 HH11 ARG A 83 -13.033 4.942 -4.089 1.00 0.60 H new ATOM 0 HH12 ARG A 83 -13.594 5.975 -5.408 1.00 0.60 H new ATOM 0 HH21 ARG A 83 -15.534 3.456 -6.927 1.00 0.89 H new ATOM 0 HH22 ARG A 83 -15.002 5.138 -7.007 1.00 0.89 H new ATOM 1239 N VAL A 84 -9.484 -0.517 -2.171 1.00 0.09 N ATOM 1240 CA VAL A 84 -8.118 -0.514 -1.655 1.00 0.09 C ATOM 1241 C VAL A 84 -7.338 0.646 -2.271 1.00 0.08 C ATOM 1242 O VAL A 84 -7.752 1.193 -3.288 1.00 0.09 O ATOM 1243 CB VAL A 84 -7.396 -1.842 -1.983 1.00 0.11 C ATOM 1244 CG1 VAL A 84 -6.780 -2.437 -0.743 1.00 0.12 C ATOM 1245 CG2 VAL A 84 -8.345 -2.843 -2.621 1.00 0.12 C ATOM 0 H VAL A 84 -9.541 -0.443 -3.187 1.00 0.09 H new ATOM 0 HA VAL A 84 -8.165 -0.401 -0.572 1.00 0.09 H new ATOM 0 HB VAL A 84 -6.604 -1.616 -2.697 1.00 0.11 H new ATOM 0 HG11 VAL A 84 -6.278 -3.370 -0.998 1.00 0.12 H new ATOM 0 HG12 VAL A 84 -6.056 -1.738 -0.325 1.00 0.12 H new ATOM 0 HG13 VAL A 84 -7.560 -2.634 -0.008 1.00 0.12 H new ATOM 0 HG21 VAL A 84 -7.807 -3.766 -2.840 1.00 0.12 H new ATOM 0 HG22 VAL A 84 -9.165 -3.055 -1.935 1.00 0.12 H new ATOM 0 HG23 VAL A 84 -8.744 -2.428 -3.546 1.00 0.12 H new ATOM 1255 N LEU A 85 -6.225 1.044 -1.660 1.00 0.10 N ATOM 1256 CA LEU A 85 -5.431 2.144 -2.210 1.00 0.09 C ATOM 1257 C LEU A 85 -3.937 1.866 -2.122 1.00 0.10 C ATOM 1258 O LEU A 85 -3.491 1.002 -1.371 1.00 0.11 O ATOM 1259 CB LEU A 85 -5.741 3.456 -1.488 1.00 0.09 C ATOM 1260 CG LEU A 85 -5.233 4.724 -2.186 1.00 0.09 C ATOM 1261 CD1 LEU A 85 -6.110 5.081 -3.388 1.00 0.09 C ATOM 1262 CD2 LEU A 85 -5.161 5.883 -1.199 1.00 0.09 C ATOM 0 H LEU A 85 -5.857 0.633 -0.802 1.00 0.10 H new ATOM 0 HA LEU A 85 -5.705 2.232 -3.261 1.00 0.09 H new ATOM 0 HB2 LEU A 85 -6.821 3.537 -1.364 1.00 0.09 H new ATOM 0 HB3 LEU A 85 -5.308 3.413 -0.489 1.00 0.09 H new ATOM 0 HG LEU A 85 -4.227 4.528 -2.558 1.00 0.09 H new ATOM 0 HD11 LEU A 85 -5.726 5.984 -3.863 1.00 0.09 H new ATOM 0 HD12 LEU A 85 -6.097 4.260 -4.105 1.00 0.09 H new ATOM 0 HD13 LEU A 85 -7.133 5.254 -3.054 1.00 0.09 H new ATOM 0 HD21 LEU A 85 -4.799 6.775 -1.711 1.00 0.09 H new ATOM 0 HD22 LEU A 85 -6.153 6.076 -0.792 1.00 0.09 H new ATOM 0 HD23 LEU A 85 -4.479 5.628 -0.388 1.00 0.09 H new ATOM 1274 N ARG A 86 -3.179 2.608 -2.915 1.00 0.10 N ATOM 1275 CA ARG A 86 -1.725 2.493 -2.945 1.00 0.11 C ATOM 1276 C ARG A 86 -1.114 3.840 -3.298 1.00 0.11 C ATOM 1277 O ARG A 86 -1.722 4.618 -4.021 1.00 0.10 O ATOM 1278 CB ARG A 86 -1.281 1.425 -3.958 1.00 0.13 C ATOM 1279 CG ARG A 86 -0.425 1.953 -5.097 1.00 0.33 C ATOM 1280 CD ARG A 86 0.117 0.818 -5.954 1.00 0.32 C ATOM 1281 NE ARG A 86 0.959 1.307 -7.043 1.00 0.71 N ATOM 1282 CZ ARG A 86 1.415 0.536 -8.026 1.00 1.08 C ATOM 1283 NH1 ARG A 86 1.107 -0.754 -8.060 1.00 1.24 N ATOM 1284 NH2 ARG A 86 2.178 1.055 -8.978 1.00 1.41 N ATOM 0 H ARG A 86 -3.552 3.307 -3.557 1.00 0.10 H new ATOM 0 HA ARG A 86 -1.378 2.187 -1.958 1.00 0.11 H new ATOM 0 HB2 ARG A 86 -0.724 0.651 -3.430 1.00 0.13 H new ATOM 0 HB3 ARG A 86 -2.168 0.949 -4.377 1.00 0.13 H new ATOM 0 HG2 ARG A 86 -1.016 2.628 -5.716 1.00 0.33 H new ATOM 0 HG3 ARG A 86 0.404 2.534 -4.693 1.00 0.33 H new ATOM 0 HD2 ARG A 86 0.693 0.135 -5.329 1.00 0.32 H new ATOM 0 HD3 ARG A 86 -0.715 0.247 -6.367 1.00 0.32 H new ATOM 0 HE ARG A 86 1.211 2.295 -7.050 1.00 0.71 H new ATOM 0 HH11 ARG A 86 0.519 -1.157 -7.331 1.00 1.24 H new ATOM 0 HH12 ARG A 86 1.458 -1.342 -8.815 1.00 1.24 H new ATOM 0 HH21 ARG A 86 2.416 2.047 -8.957 1.00 1.41 H new ATOM 0 HH22 ARG A 86 2.527 0.463 -9.731 1.00 1.41 H new ATOM 1298 N LEU A 87 0.069 4.122 -2.772 1.00 0.12 N ATOM 1299 CA LEU A 87 0.751 5.376 -3.070 1.00 0.11 C ATOM 1300 C LEU A 87 2.263 5.184 -3.011 1.00 0.13 C ATOM 1301 O LEU A 87 2.799 4.709 -2.009 1.00 0.16 O ATOM 1302 CB LEU A 87 0.304 6.472 -2.099 1.00 0.11 C ATOM 1303 CG LEU A 87 0.733 7.898 -2.447 1.00 0.11 C ATOM 1304 CD1 LEU A 87 0.630 8.142 -3.940 1.00 0.09 C ATOM 1305 CD2 LEU A 87 -0.125 8.893 -1.685 1.00 0.11 C ATOM 0 H LEU A 87 0.576 3.503 -2.139 1.00 0.12 H new ATOM 0 HA LEU A 87 0.484 5.687 -4.080 1.00 0.11 H new ATOM 0 HB2 LEU A 87 -0.784 6.448 -2.032 1.00 0.11 H new ATOM 0 HB3 LEU A 87 0.689 6.230 -1.108 1.00 0.11 H new ATOM 0 HG LEU A 87 1.775 8.031 -2.156 1.00 0.11 H new ATOM 0 HD11 LEU A 87 0.940 9.163 -4.164 1.00 0.09 H new ATOM 0 HD12 LEU A 87 1.277 7.442 -4.469 1.00 0.09 H new ATOM 0 HD13 LEU A 87 -0.401 7.997 -4.262 1.00 0.09 H new ATOM 0 HD21 LEU A 87 0.184 9.908 -1.936 1.00 0.11 H new ATOM 0 HD22 LEU A 87 -1.171 8.755 -1.957 1.00 0.11 H new ATOM 0 HD23 LEU A 87 -0.005 8.732 -0.614 1.00 0.11 H new ATOM 1317 N ASN A 88 2.946 5.555 -4.090 1.00 0.11 N ATOM 1318 CA ASN A 88 4.401 5.399 -4.162 1.00 0.13 C ATOM 1319 C ASN A 88 5.114 6.695 -3.771 1.00 0.12 C ATOM 1320 O ASN A 88 4.475 7.725 -3.562 1.00 0.11 O ATOM 1321 CB ASN A 88 4.823 4.984 -5.584 1.00 0.14 C ATOM 1322 CG ASN A 88 6.226 4.410 -5.677 1.00 0.61 C ATOM 1323 OD1 ASN A 88 7.215 5.119 -5.505 1.00 1.44 O ATOM 1324 ND2 ASN A 88 6.319 3.129 -5.996 1.00 1.32 N ATOM 0 H ASN A 88 2.522 5.963 -4.923 1.00 0.11 H new ATOM 0 HA ASN A 88 4.689 4.619 -3.457 1.00 0.13 H new ATOM 0 HB2 ASN A 88 4.115 4.245 -5.959 1.00 0.14 H new ATOM 0 HB3 ASN A 88 4.754 5.853 -6.239 1.00 0.14 H new ATOM 0 HD21 ASN A 88 7.236 2.696 -6.108 1.00 1.32 H new ATOM 0 HD22 ASN A 88 5.474 2.574 -6.130 1.00 1.32 H new ATOM 1331 N GLU A 89 6.440 6.628 -3.659 1.00 0.16 N ATOM 1332 CA GLU A 89 7.253 7.796 -3.321 1.00 0.19 C ATOM 1333 C GLU A 89 7.052 8.893 -4.362 1.00 0.18 C ATOM 1334 O GLU A 89 7.290 10.072 -4.098 1.00 0.24 O ATOM 1335 CB GLU A 89 8.728 7.403 -3.267 1.00 0.24 C ATOM 1336 CG GLU A 89 9.376 7.247 -4.637 1.00 0.27 C ATOM 1337 CD GLU A 89 10.000 8.535 -5.140 1.00 1.25 C ATOM 1338 OE1 GLU A 89 11.091 8.898 -4.652 1.00 1.94 O ATOM 1339 OE2 GLU A 89 9.397 9.181 -6.023 1.00 1.67 O ATOM 0 H GLU A 89 6.977 5.772 -3.798 1.00 0.16 H new ATOM 0 HA GLU A 89 6.944 8.170 -2.345 1.00 0.19 H new ATOM 0 HB2 GLU A 89 9.274 8.158 -2.701 1.00 0.24 H new ATOM 0 HB3 GLU A 89 8.824 6.464 -2.722 1.00 0.24 H new ATOM 0 HG2 GLU A 89 10.142 6.473 -4.586 1.00 0.27 H new ATOM 0 HG3 GLU A 89 8.627 6.908 -5.352 1.00 0.27 H new ATOM 1346 N SER A 90 6.617 8.482 -5.551 1.00 0.16 N ATOM 1347 CA SER A 90 6.372 9.409 -6.649 1.00 0.17 C ATOM 1348 C SER A 90 4.993 10.013 -6.495 1.00 0.13 C ATOM 1349 O SER A 90 4.481 10.691 -7.384 1.00 0.15 O ATOM 1350 CB SER A 90 6.496 8.693 -7.996 1.00 0.22 C ATOM 1351 OG SER A 90 6.316 9.595 -9.074 1.00 1.37 O ATOM 0 H SER A 90 6.426 7.506 -5.778 1.00 0.16 H new ATOM 0 HA SER A 90 7.118 10.203 -6.621 1.00 0.17 H new ATOM 0 HB2 SER A 90 7.476 8.222 -8.072 1.00 0.22 H new ATOM 0 HB3 SER A 90 5.754 7.896 -8.057 1.00 0.22 H new ATOM 0 HG SER A 90 5.654 10.273 -8.826 1.00 1.37 H new ATOM 1357 N LEU A 91 4.407 9.746 -5.339 1.00 0.10 N ATOM 1358 CA LEU A 91 3.099 10.249 -4.996 1.00 0.09 C ATOM 1359 C LEU A 91 2.050 9.862 -6.029 1.00 0.11 C ATOM 1360 O LEU A 91 1.084 10.590 -6.260 1.00 0.16 O ATOM 1361 CB LEU A 91 3.178 11.747 -4.796 1.00 0.09 C ATOM 1362 CG LEU A 91 3.837 12.183 -3.478 1.00 0.10 C ATOM 1363 CD1 LEU A 91 2.797 12.739 -2.519 1.00 0.14 C ATOM 1364 CD2 LEU A 91 4.610 11.039 -2.815 1.00 0.09 C ATOM 0 H LEU A 91 4.833 9.170 -4.612 1.00 0.10 H new ATOM 0 HA LEU A 91 2.778 9.788 -4.062 1.00 0.09 H new ATOM 0 HB2 LEU A 91 3.734 12.182 -5.626 1.00 0.09 H new ATOM 0 HB3 LEU A 91 2.170 12.159 -4.837 1.00 0.09 H new ATOM 0 HG LEU A 91 4.554 12.967 -3.721 1.00 0.10 H new ATOM 0 HD11 LEU A 91 3.283 13.042 -1.592 1.00 0.14 H new ATOM 0 HD12 LEU A 91 2.309 13.602 -2.972 1.00 0.14 H new ATOM 0 HD13 LEU A 91 2.053 11.972 -2.305 1.00 0.14 H new ATOM 0 HD21 LEU A 91 5.059 11.393 -1.887 1.00 0.09 H new ATOM 0 HD22 LEU A 91 3.928 10.217 -2.598 1.00 0.09 H new ATOM 0 HD23 LEU A 91 5.394 10.692 -3.488 1.00 0.09 H new ATOM 1376 N THR A 92 2.256 8.702 -6.646 1.00 0.12 N ATOM 1377 CA THR A 92 1.317 8.170 -7.621 1.00 0.14 C ATOM 1378 C THR A 92 0.456 7.114 -6.943 1.00 0.11 C ATOM 1379 O THR A 92 0.956 6.063 -6.540 1.00 0.11 O ATOM 1380 CB THR A 92 2.037 7.536 -8.823 1.00 0.18 C ATOM 1381 OG1 THR A 92 2.751 8.541 -9.554 1.00 0.23 O ATOM 1382 CG2 THR A 92 1.048 6.836 -9.745 1.00 0.20 C ATOM 0 H THR A 92 3.072 8.111 -6.484 1.00 0.12 H new ATOM 0 HA THR A 92 0.707 8.994 -7.993 1.00 0.14 H new ATOM 0 HB THR A 92 2.740 6.794 -8.444 1.00 0.18 H new ATOM 0 HG1 THR A 92 3.208 8.128 -10.317 1.00 0.23 H new ATOM 0 HG21 THR A 92 1.583 6.397 -10.587 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.530 6.051 -9.194 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.321 7.559 -10.115 1.00 0.20 H new ATOM 1390 N ALA A 93 -0.835 7.387 -6.817 1.00 0.11 N ATOM 1391 CA ALA A 93 -1.733 6.458 -6.149 1.00 0.09 C ATOM 1392 C ALA A 93 -2.664 5.746 -7.099 1.00 0.09 C ATOM 1393 O ALA A 93 -2.985 6.237 -8.180 1.00 0.10 O ATOM 1394 CB ALA A 93 -2.568 7.173 -5.101 1.00 0.10 C ATOM 0 H ALA A 93 -1.280 8.236 -7.165 1.00 0.11 H new ATOM 0 HA ALA A 93 -1.090 5.712 -5.682 1.00 0.09 H new ATOM 0 HB1 ALA A 93 -3.232 6.458 -4.615 1.00 0.10 H new ATOM 0 HB2 ALA A 93 -1.911 7.622 -4.356 1.00 0.10 H new ATOM 0 HB3 ALA A 93 -3.162 7.953 -5.579 1.00 0.10 H new ATOM 1400 N VAL A 94 -3.079 4.569 -6.667 1.00 0.09 N ATOM 1401 CA VAL A 94 -4.027 3.771 -7.417 1.00 0.10 C ATOM 1402 C VAL A 94 -4.959 3.047 -6.474 1.00 0.09 C ATOM 1403 O VAL A 94 -4.540 2.406 -5.509 1.00 0.10 O ATOM 1404 CB VAL A 94 -3.357 2.754 -8.364 1.00 0.12 C ATOM 1405 CG1 VAL A 94 -2.554 1.729 -7.578 1.00 0.15 C ATOM 1406 CG2 VAL A 94 -4.410 2.067 -9.226 1.00 0.14 C ATOM 0 H VAL A 94 -2.770 4.143 -5.793 1.00 0.09 H new ATOM 0 HA VAL A 94 -4.586 4.467 -8.043 1.00 0.10 H new ATOM 0 HB VAL A 94 -2.668 3.291 -9.016 1.00 0.12 H new ATOM 0 HG11 VAL A 94 -2.091 1.023 -8.267 1.00 0.15 H new ATOM 0 HG12 VAL A 94 -1.779 2.237 -7.004 1.00 0.15 H new ATOM 0 HG13 VAL A 94 -3.216 1.192 -6.898 1.00 0.15 H new ATOM 0 HG21 VAL A 94 -3.926 1.351 -9.891 1.00 0.14 H new ATOM 0 HG22 VAL A 94 -5.120 1.544 -8.585 1.00 0.14 H new ATOM 0 HG23 VAL A 94 -4.938 2.813 -9.819 1.00 0.14 H new ATOM 1416 N VAL A 95 -6.230 3.177 -6.770 1.00 0.09 N ATOM 1417 CA VAL A 95 -7.276 2.579 -5.978 1.00 0.09 C ATOM 1418 C VAL A 95 -7.866 1.358 -6.657 1.00 0.11 C ATOM 1419 O VAL A 95 -7.915 1.275 -7.881 1.00 0.12 O ATOM 1420 CB VAL A 95 -8.389 3.603 -5.758 1.00 0.09 C ATOM 1421 CG1 VAL A 95 -8.746 4.238 -7.092 1.00 0.10 C ATOM 1422 CG2 VAL A 95 -9.607 2.962 -5.116 1.00 0.09 C ATOM 0 H VAL A 95 -6.569 3.705 -7.574 1.00 0.09 H new ATOM 0 HA VAL A 95 -6.840 2.268 -5.029 1.00 0.09 H new ATOM 0 HB VAL A 95 -8.036 4.374 -5.073 1.00 0.09 H new ATOM 0 HG11 VAL A 95 -9.540 4.971 -6.945 1.00 0.10 H new ATOM 0 HG12 VAL A 95 -7.868 4.733 -7.506 1.00 0.10 H new ATOM 0 HG13 VAL A 95 -9.087 3.467 -7.782 1.00 0.10 H new ATOM 0 HG21 VAL A 95 -10.381 3.715 -4.972 1.00 0.09 H new ATOM 0 HG22 VAL A 95 -9.986 2.171 -5.764 1.00 0.09 H new ATOM 0 HG23 VAL A 95 -9.329 2.539 -4.151 1.00 0.09 H new ATOM 1432 N CYS A 96 -8.311 0.419 -5.845 1.00 0.11 N ATOM 1433 CA CYS A 96 -8.931 -0.793 -6.333 1.00 0.13 C ATOM 1434 C CYS A 96 -10.344 -0.885 -5.802 1.00 0.13 C ATOM 1435 O CYS A 96 -10.669 -0.296 -4.776 1.00 0.14 O ATOM 1436 CB CYS A 96 -8.120 -2.021 -5.920 1.00 0.14 C ATOM 1437 SG CYS A 96 -6.672 -2.332 -6.975 1.00 0.17 S ATOM 0 H CYS A 96 -8.252 0.477 -4.828 1.00 0.11 H new ATOM 0 HA CYS A 96 -8.959 -0.763 -7.422 1.00 0.13 H new ATOM 0 HB2 CYS A 96 -7.787 -1.895 -4.890 1.00 0.14 H new ATOM 0 HB3 CYS A 96 -8.768 -2.897 -5.941 1.00 0.14 H new ATOM 1442 N GLY A 97 -11.182 -1.604 -6.520 1.00 0.15 N ATOM 1443 CA GLY A 97 -12.554 -1.761 -6.111 1.00 0.16 C ATOM 1444 C GLY A 97 -12.803 -3.151 -5.595 1.00 0.16 C ATOM 1445 O GLY A 97 -13.909 -3.490 -5.175 1.00 0.17 O ATOM 0 H GLY A 97 -10.935 -2.085 -7.385 1.00 0.15 H new ATOM 0 HA2 GLY A 97 -12.792 -1.033 -5.336 1.00 0.16 H new ATOM 0 HA3 GLY A 97 -13.215 -1.558 -6.954 1.00 0.16 H new ATOM 1449 N LYS A 98 -11.751 -3.956 -5.636 1.00 0.16 N ATOM 1450 CA LYS A 98 -11.818 -5.326 -5.179 1.00 0.16 C ATOM 1451 C LYS A 98 -10.461 -5.787 -4.671 1.00 0.16 C ATOM 1452 O LYS A 98 -9.454 -5.665 -5.367 1.00 0.19 O ATOM 1453 CB LYS A 98 -12.262 -6.236 -6.322 1.00 0.20 C ATOM 1454 CG LYS A 98 -13.116 -7.409 -5.875 1.00 0.20 C ATOM 1455 CD LYS A 98 -12.445 -8.222 -4.774 1.00 0.21 C ATOM 1456 CE LYS A 98 -13.095 -7.966 -3.426 1.00 0.43 C ATOM 1457 NZ LYS A 98 -14.435 -8.607 -3.324 1.00 0.66 N ATOM 0 H LYS A 98 -10.835 -3.675 -5.986 1.00 0.16 H new ATOM 0 HA LYS A 98 -12.540 -5.380 -4.365 1.00 0.16 H new ATOM 0 HB2 LYS A 98 -12.823 -5.646 -7.047 1.00 0.20 H new ATOM 0 HB3 LYS A 98 -11.379 -6.616 -6.835 1.00 0.20 H new ATOM 0 HG2 LYS A 98 -14.078 -7.041 -5.518 1.00 0.20 H new ATOM 0 HG3 LYS A 98 -13.319 -8.055 -6.729 1.00 0.20 H new ATOM 0 HD2 LYS A 98 -12.506 -9.283 -5.014 1.00 0.21 H new ATOM 0 HD3 LYS A 98 -11.386 -7.967 -4.724 1.00 0.21 H new ATOM 0 HE2 LYS A 98 -12.450 -8.346 -2.634 1.00 0.43 H new ATOM 0 HE3 LYS A 98 -13.194 -6.892 -3.269 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 -15.017 -8.087 -2.637 1.00 0.66 H new ATOM 0 HZ2 LYS A 98 -14.900 -8.590 -4.254 1.00 0.66 H new ATOM 0 HZ3 LYS A 98 -14.326 -9.592 -3.009 1.00 0.66 H new ATOM 1471 N MET A 99 -10.437 -6.311 -3.456 1.00 0.17 N ATOM 1472 CA MET A 99 -9.207 -6.816 -2.883 1.00 0.20 C ATOM 1473 C MET A 99 -9.377 -8.289 -2.550 1.00 0.22 C ATOM 1474 O MET A 99 -10.075 -8.651 -1.603 1.00 0.23 O ATOM 1475 CB MET A 99 -8.810 -6.021 -1.643 1.00 0.22 C ATOM 1476 CG MET A 99 -7.309 -5.911 -1.468 1.00 0.27 C ATOM 1477 SD MET A 99 -6.784 -6.410 0.169 1.00 0.97 S ATOM 1478 CE MET A 99 -7.497 -8.040 0.167 1.00 1.36 C ATOM 0 H MET A 99 -11.254 -6.396 -2.852 1.00 0.17 H new ATOM 0 HA MET A 99 -8.404 -6.702 -3.611 1.00 0.20 H new ATOM 0 HB2 MET A 99 -9.237 -5.020 -1.707 1.00 0.22 H new ATOM 0 HB3 MET A 99 -9.240 -6.495 -0.761 1.00 0.22 H new ATOM 0 HG2 MET A 99 -6.811 -6.532 -2.213 1.00 0.27 H new ATOM 0 HG3 MET A 99 -6.998 -4.883 -1.650 1.00 0.27 H new ATOM 0 HE1 MET A 99 -7.043 -8.637 0.958 1.00 1.36 H new ATOM 0 HE2 MET A 99 -8.571 -7.967 0.338 1.00 1.36 H new ATOM 0 HE3 MET A 99 -7.314 -8.516 -0.796 1.00 1.36 H new ATOM 1488 N LYS A 100 -8.731 -9.134 -3.342 1.00 0.25 N ATOM 1489 CA LYS A 100 -8.821 -10.578 -3.161 1.00 0.28 C ATOM 1490 C LYS A 100 -7.660 -11.107 -2.333 1.00 0.25 C ATOM 1491 O LYS A 100 -7.839 -11.550 -1.198 1.00 0.28 O ATOM 1492 CB LYS A 100 -8.834 -11.276 -4.519 1.00 0.34 C ATOM 1493 CG LYS A 100 -9.771 -10.633 -5.525 1.00 0.39 C ATOM 1494 CD LYS A 100 -9.580 -11.226 -6.909 1.00 0.47 C ATOM 1495 CE LYS A 100 -10.461 -10.535 -7.936 1.00 0.54 C ATOM 1496 NZ LYS A 100 -10.334 -11.154 -9.284 1.00 1.25 N ATOM 0 H LYS A 100 -8.137 -8.844 -4.119 1.00 0.25 H new ATOM 0 HA LYS A 100 -9.748 -10.789 -2.628 1.00 0.28 H new ATOM 0 HB2 LYS A 100 -7.823 -11.278 -4.927 1.00 0.34 H new ATOM 0 HB3 LYS A 100 -9.124 -12.318 -4.380 1.00 0.34 H new ATOM 0 HG2 LYS A 100 -10.804 -10.773 -5.206 1.00 0.39 H new ATOM 0 HG3 LYS A 100 -9.591 -9.559 -5.559 1.00 0.39 H new ATOM 0 HD2 LYS A 100 -8.535 -11.135 -7.204 1.00 0.47 H new ATOM 0 HD3 LYS A 100 -9.813 -12.291 -6.885 1.00 0.47 H new ATOM 0 HE2 LYS A 100 -11.501 -10.581 -7.612 1.00 0.54 H new ATOM 0 HE3 LYS A 100 -10.192 -9.480 -7.994 1.00 0.54 H new ATOM 0 HZ1 LYS A 100 -10.951 -10.654 -9.955 1.00 1.25 H new ATOM 0 HZ2 LYS A 100 -9.347 -11.087 -9.605 1.00 1.25 H new ATOM 0 HZ3 LYS A 100 -10.615 -12.154 -9.235 1.00 1.25 H new ATOM 1510 N GLY A 101 -6.468 -11.058 -2.916 1.00 0.25 N ATOM 1511 CA GLY A 101 -5.286 -11.542 -2.235 1.00 0.28 C ATOM 1512 C GLY A 101 -4.753 -10.528 -1.252 1.00 0.24 C ATOM 1513 O GLY A 101 -5.434 -10.179 -0.289 1.00 0.33 O ATOM 0 H GLY A 101 -6.301 -10.690 -3.852 1.00 0.25 H new ATOM 0 HA2 GLY A 101 -5.522 -12.468 -1.711 1.00 0.28 H new ATOM 0 HA3 GLY A 101 -4.515 -11.778 -2.968 1.00 0.28 H new ATOM 1517 N LYS A 102 -3.539 -10.048 -1.505 1.00 0.31 N ATOM 1518 CA LYS A 102 -2.918 -9.055 -0.640 1.00 0.31 C ATOM 1519 C LYS A 102 -3.193 -9.359 0.833 1.00 0.30 C ATOM 1520 O LYS A 102 -3.048 -10.496 1.283 1.00 0.61 O ATOM 1521 CB LYS A 102 -3.460 -7.686 -1.000 1.00 0.36 C ATOM 1522 CG LYS A 102 -3.030 -7.202 -2.370 1.00 0.70 C ATOM 1523 CD LYS A 102 -4.222 -6.778 -3.205 1.00 0.56 C ATOM 1524 CE LYS A 102 -4.999 -7.984 -3.706 1.00 1.01 C ATOM 1525 NZ LYS A 102 -6.413 -7.648 -4.017 1.00 2.08 N ATOM 0 H LYS A 102 -2.968 -10.331 -2.301 1.00 0.31 H new ATOM 0 HA LYS A 102 -1.838 -9.080 -0.788 1.00 0.31 H new ATOM 0 HB2 LYS A 102 -4.549 -7.714 -0.959 1.00 0.36 H new ATOM 0 HB3 LYS A 102 -3.131 -6.966 -0.250 1.00 0.36 H new ATOM 0 HG2 LYS A 102 -2.342 -6.363 -2.262 1.00 0.70 H new ATOM 0 HG3 LYS A 102 -2.487 -7.995 -2.884 1.00 0.70 H new ATOM 0 HD2 LYS A 102 -4.877 -6.141 -2.611 1.00 0.56 H new ATOM 0 HD3 LYS A 102 -3.882 -6.183 -4.053 1.00 0.56 H new ATOM 0 HE2 LYS A 102 -4.516 -8.380 -4.599 1.00 1.01 H new ATOM 0 HE3 LYS A 102 -4.971 -8.771 -2.953 1.00 1.01 H new ATOM 0 HZ1 LYS A 102 -6.715 -8.167 -4.866 1.00 2.08 H new ATOM 0 HZ2 LYS A 102 -7.018 -7.915 -3.214 1.00 2.08 H new ATOM 0 HZ3 LYS A 102 -6.497 -6.626 -4.189 1.00 2.08 H new ATOM 1539 N GLY A 103 -3.591 -8.329 1.573 1.00 0.37 N ATOM 1540 CA GLY A 103 -3.917 -8.485 2.974 1.00 0.38 C ATOM 1541 C GLY A 103 -5.131 -7.655 3.333 1.00 0.44 C ATOM 1542 O GLY A 103 -5.342 -6.591 2.755 1.00 0.49 O ATOM 0 H GLY A 103 -3.694 -7.378 1.219 1.00 0.37 H new ATOM 0 HA2 GLY A 103 -4.110 -9.535 3.194 1.00 0.38 H new ATOM 0 HA3 GLY A 103 -3.068 -8.182 3.587 1.00 0.38 H new ATOM 1546 N SER A 104 -5.928 -8.125 4.281 1.00 0.48 N ATOM 1547 CA SER A 104 -7.129 -7.400 4.675 1.00 0.56 C ATOM 1548 C SER A 104 -7.073 -6.946 6.124 1.00 0.49 C ATOM 1549 O SER A 104 -6.636 -7.687 7.002 1.00 0.39 O ATOM 1550 CB SER A 104 -8.359 -8.269 4.469 1.00 0.64 C ATOM 1551 OG SER A 104 -8.435 -8.752 3.140 1.00 1.20 O ATOM 0 H SER A 104 -5.769 -8.996 4.788 1.00 0.48 H new ATOM 0 HA SER A 104 -7.189 -6.513 4.044 1.00 0.56 H new ATOM 0 HB2 SER A 104 -8.332 -9.110 5.162 1.00 0.64 H new ATOM 0 HB3 SER A 104 -9.255 -7.694 4.700 1.00 0.64 H new ATOM 0 HG SER A 104 -9.139 -9.431 3.079 1.00 1.20 H new ATOM 1557 N CYS A 105 -7.529 -5.721 6.366 1.00 0.62 N ATOM 1558 CA CYS A 105 -7.552 -5.172 7.713 1.00 0.62 C ATOM 1559 C CYS A 105 -8.630 -5.870 8.522 1.00 0.51 C ATOM 1560 O CYS A 105 -9.479 -6.554 7.950 1.00 0.50 O ATOM 1561 CB CYS A 105 -7.803 -3.667 7.679 1.00 0.85 C ATOM 1562 SG CYS A 105 -6.715 -2.776 6.531 1.00 1.95 S ATOM 0 H CYS A 105 -7.887 -5.092 5.647 1.00 0.62 H new ATOM 0 HA CYS A 105 -6.582 -5.340 8.182 1.00 0.62 H new ATOM 0 HB2 CYS A 105 -8.840 -3.486 7.398 1.00 0.85 H new ATOM 0 HB3 CYS A 105 -7.669 -3.262 8.682 1.00 0.85 H new ATOM 1567 N THR A 106 -8.597 -5.698 9.844 1.00 0.50 N ATOM 1568 CA THR A 106 -9.564 -6.342 10.732 1.00 0.46 C ATOM 1569 C THR A 106 -9.795 -7.788 10.298 1.00 0.60 C ATOM 1570 O THR A 106 -10.856 -8.367 10.534 1.00 0.95 O ATOM 1571 CB THR A 106 -10.913 -5.583 10.783 1.00 0.59 C ATOM 1572 OG1 THR A 106 -11.734 -6.118 11.827 1.00 1.21 O ATOM 1573 CG2 THR A 106 -11.664 -5.668 9.459 1.00 0.57 C ATOM 0 H THR A 106 -7.909 -5.117 10.324 1.00 0.50 H new ATOM 0 HA THR A 106 -9.142 -6.323 11.737 1.00 0.46 H new ATOM 0 HB THR A 106 -10.691 -4.534 10.980 1.00 0.59 H new ATOM 0 HG1 THR A 106 -11.791 -7.092 11.732 1.00 1.21 H new ATOM 0 HG21 THR A 106 -12.604 -5.123 9.538 1.00 0.57 H new ATOM 0 HG22 THR A 106 -11.056 -5.230 8.667 1.00 0.57 H new ATOM 0 HG23 THR A 106 -11.869 -6.712 9.223 1.00 0.57 H new ATOM 1581 N ASP A 107 -8.773 -8.361 9.664 1.00 0.51 N ATOM 1582 CA ASP A 107 -8.831 -9.726 9.167 1.00 0.75 C ATOM 1583 C ASP A 107 -7.444 -10.367 9.169 1.00 0.84 C ATOM 1584 O ASP A 107 -7.310 -11.574 9.377 1.00 1.21 O ATOM 1585 CB ASP A 107 -9.424 -9.745 7.754 1.00 0.89 C ATOM 1586 CG ASP A 107 -10.940 -9.767 7.766 1.00 1.46 C ATOM 1587 OD1 ASP A 107 -11.550 -8.677 7.779 1.00 2.19 O ATOM 1588 OD2 ASP A 107 -11.517 -10.875 7.762 1.00 1.50 O ATOM 0 H ASP A 107 -7.886 -7.890 9.483 1.00 0.51 H new ATOM 0 HA ASP A 107 -9.473 -10.306 9.830 1.00 0.75 H new ATOM 0 HB2 ASP A 107 -9.080 -8.868 7.206 1.00 0.89 H new ATOM 0 HB3 ASP A 107 -9.054 -10.620 7.219 1.00 0.89 H new ATOM 1593 N GLY A 108 -6.414 -9.554 8.939 1.00 0.62 N ATOM 1594 CA GLY A 108 -5.052 -10.067 8.927 1.00 0.72 C ATOM 1595 C GLY A 108 -4.202 -9.488 7.810 1.00 0.58 C ATOM 1596 O GLY A 108 -3.607 -10.232 7.030 1.00 0.67 O ATOM 0 H GLY A 108 -6.497 -8.553 8.761 1.00 0.62 H new ATOM 0 HA2 GLY A 108 -4.580 -9.847 9.885 1.00 0.72 H new ATOM 0 HA3 GLY A 108 -5.081 -11.152 8.827 1.00 0.72 H new ATOM 1600 N GLU A 109 -4.142 -8.159 7.728 1.00 0.45 N ATOM 1601 CA GLU A 109 -3.350 -7.492 6.703 1.00 0.35 C ATOM 1602 C GLU A 109 -1.870 -7.823 6.843 1.00 0.36 C ATOM 1603 O GLU A 109 -1.291 -7.680 7.921 1.00 0.52 O ATOM 1604 CB GLU A 109 -3.548 -5.986 6.783 1.00 0.39 C ATOM 1605 CG GLU A 109 -4.219 -5.405 5.555 1.00 1.51 C ATOM 1606 CD GLU A 109 -3.234 -5.097 4.444 1.00 2.07 C ATOM 1607 OE1 GLU A 109 -2.522 -6.025 4.008 1.00 2.32 O ATOM 1608 OE2 GLU A 109 -3.181 -3.929 4.005 1.00 2.76 O ATOM 0 H GLU A 109 -4.633 -7.526 8.360 1.00 0.45 H new ATOM 0 HA GLU A 109 -3.691 -7.852 5.732 1.00 0.35 H new ATOM 0 HB2 GLU A 109 -4.148 -5.751 7.662 1.00 0.39 H new ATOM 0 HB3 GLU A 109 -2.579 -5.506 6.921 1.00 0.39 H new ATOM 0 HG2 GLU A 109 -4.967 -6.107 5.188 1.00 1.51 H new ATOM 0 HG3 GLU A 109 -4.747 -4.492 5.831 1.00 1.51 H new ATOM 1615 N GLU A 110 -1.264 -8.270 5.750 1.00 0.33 N ATOM 1616 CA GLU A 110 0.143 -8.611 5.746 1.00 0.36 C ATOM 1617 C GLU A 110 0.880 -7.848 4.659 1.00 0.30 C ATOM 1618 O GLU A 110 1.824 -7.111 4.942 1.00 0.29 O ATOM 1619 CB GLU A 110 0.323 -10.099 5.521 1.00 0.45 C ATOM 1620 CG GLU A 110 1.757 -10.557 5.654 1.00 1.00 C ATOM 1621 CD GLU A 110 2.218 -10.641 7.097 1.00 1.22 C ATOM 1622 OE1 GLU A 110 2.721 -9.625 7.620 1.00 1.55 O ATOM 1623 OE2 GLU A 110 2.078 -11.724 7.702 1.00 1.31 O ATOM 0 H GLU A 110 -1.732 -8.403 4.854 1.00 0.33 H new ATOM 0 HA GLU A 110 0.557 -8.336 6.716 1.00 0.36 H new ATOM 0 HB2 GLU A 110 -0.293 -10.644 6.236 1.00 0.45 H new ATOM 0 HB3 GLU A 110 -0.042 -10.355 4.526 1.00 0.45 H new ATOM 0 HG2 GLU A 110 1.866 -11.535 5.186 1.00 1.00 H new ATOM 0 HG3 GLU A 110 2.405 -9.869 5.110 1.00 1.00 H new ATOM 1630 N ILE A 111 0.438 -8.022 3.413 1.00 0.27 N ATOM 1631 CA ILE A 111 1.085 -7.368 2.285 1.00 0.23 C ATOM 1632 C ILE A 111 0.134 -7.091 1.124 1.00 0.24 C ATOM 1633 O ILE A 111 -1.040 -7.454 1.158 1.00 0.28 O ATOM 1634 CB ILE A 111 2.269 -8.204 1.772 1.00 0.25 C ATOM 1635 CG1 ILE A 111 1.847 -9.658 1.511 1.00 0.31 C ATOM 1636 CG2 ILE A 111 3.416 -8.144 2.768 1.00 0.26 C ATOM 1637 CD1 ILE A 111 1.182 -9.883 0.176 1.00 0.34 C ATOM 0 H ILE A 111 -0.360 -8.607 3.165 1.00 0.27 H new ATOM 0 HA ILE A 111 1.437 -6.408 2.663 1.00 0.23 H new ATOM 0 HB ILE A 111 2.605 -7.784 0.824 1.00 0.25 H new ATOM 0 HG12 ILE A 111 2.728 -10.297 1.577 1.00 0.31 H new ATOM 0 HG13 ILE A 111 1.165 -9.973 2.301 1.00 0.31 H new ATOM 0 HG21 ILE A 111 4.251 -8.739 2.398 1.00 0.26 H new ATOM 0 HG22 ILE A 111 3.735 -7.109 2.894 1.00 0.26 H new ATOM 0 HG23 ILE A 111 3.086 -8.541 3.728 1.00 0.26 H new ATOM 0 HD11 ILE A 111 0.917 -10.935 0.074 1.00 0.34 H new ATOM 0 HD12 ILE A 111 0.280 -9.274 0.111 1.00 0.34 H new ATOM 0 HD13 ILE A 111 1.867 -9.603 -0.624 1.00 0.34 H new ATOM 1649 N PHE A 112 0.672 -6.433 0.098 1.00 0.24 N ATOM 1650 CA PHE A 112 -0.082 -6.082 -1.102 1.00 0.29 C ATOM 1651 C PHE A 112 0.428 -6.875 -2.307 1.00 0.36 C ATOM 1652 O PHE A 112 1.228 -6.379 -3.101 1.00 0.41 O ATOM 1653 CB PHE A 112 0.037 -4.568 -1.341 1.00 0.31 C ATOM 1654 CG PHE A 112 -0.161 -4.111 -2.766 1.00 0.39 C ATOM 1655 CD1 PHE A 112 -1.370 -4.294 -3.418 1.00 0.59 C ATOM 1656 CD2 PHE A 112 0.876 -3.491 -3.452 1.00 0.45 C ATOM 1657 CE1 PHE A 112 -1.541 -3.872 -4.724 1.00 0.72 C ATOM 1658 CE2 PHE A 112 0.712 -3.065 -4.757 1.00 0.56 C ATOM 1659 CZ PHE A 112 -0.499 -3.256 -5.394 1.00 0.66 C ATOM 0 H PHE A 112 1.645 -6.128 0.077 1.00 0.24 H new ATOM 0 HA PHE A 112 -1.133 -6.338 -0.965 1.00 0.29 H new ATOM 0 HB2 PHE A 112 -0.695 -4.061 -0.712 1.00 0.31 H new ATOM 0 HB3 PHE A 112 1.023 -4.243 -1.009 1.00 0.31 H new ATOM 0 HD1 PHE A 112 -2.188 -4.772 -2.900 1.00 0.59 H new ATOM 0 HD2 PHE A 112 1.825 -3.340 -2.958 1.00 0.45 H new ATOM 0 HE1 PHE A 112 -2.488 -4.023 -5.221 1.00 0.72 H new ATOM 0 HE2 PHE A 112 1.528 -2.585 -5.277 1.00 0.56 H new ATOM 0 HZ PHE A 112 -0.632 -2.925 -6.413 1.00 0.66 H new ATOM 1714 N ASP A 116 -5.764 -7.794 -7.006 1.00 0.38 N ATOM 1715 CA ASP A 116 -6.897 -6.877 -6.891 1.00 0.28 C ATOM 1716 C ASP A 116 -7.661 -6.751 -8.204 1.00 0.29 C ATOM 1717 O ASP A 116 -7.152 -7.089 -9.272 1.00 0.40 O ATOM 1718 CB ASP A 116 -6.426 -5.491 -6.447 1.00 0.23 C ATOM 1719 CG ASP A 116 -5.018 -5.180 -6.917 1.00 0.26 C ATOM 1720 OD1 ASP A 116 -4.871 -4.644 -8.036 1.00 0.44 O ATOM 1721 OD2 ASP A 116 -4.063 -5.474 -6.169 1.00 0.61 O ATOM 0 HA ASP A 116 -7.569 -7.294 -6.141 1.00 0.28 H new ATOM 0 HB2 ASP A 116 -7.110 -4.736 -6.835 1.00 0.23 H new ATOM 0 HB3 ASP A 116 -6.465 -5.428 -5.360 1.00 0.23 H new ATOM 1726 N ALA A 117 -8.891 -6.258 -8.103 1.00 0.25 N ATOM 1727 CA ALA A 117 -9.751 -6.067 -9.263 1.00 0.27 C ATOM 1728 C ALA A 117 -10.425 -4.713 -9.219 1.00 0.24 C ATOM 1729 O ALA A 117 -10.438 -4.047 -8.183 1.00 0.21 O ATOM 1730 CB ALA A 117 -10.811 -7.154 -9.323 1.00 0.30 C ATOM 0 H ALA A 117 -9.317 -5.981 -7.219 1.00 0.25 H new ATOM 0 HA ALA A 117 -9.125 -6.122 -10.154 1.00 0.27 H new ATOM 0 HB1 ALA A 117 -11.445 -6.996 -10.196 1.00 0.30 H new ATOM 0 HB2 ALA A 117 -10.329 -8.129 -9.396 1.00 0.30 H new ATOM 0 HB3 ALA A 117 -11.421 -7.118 -8.420 1.00 0.30 H new ATOM 1736 N GLU A 118 -10.989 -4.316 -10.350 1.00 0.28 N ATOM 1737 CA GLU A 118 -11.686 -3.049 -10.442 1.00 0.28 C ATOM 1738 C GLU A 118 -10.830 -1.906 -9.899 1.00 0.23 C ATOM 1739 O GLU A 118 -11.223 -1.236 -8.947 1.00 0.21 O ATOM 1740 CB GLU A 118 -12.990 -3.150 -9.647 1.00 0.30 C ATOM 1741 CG GLU A 118 -13.977 -4.155 -10.217 1.00 0.35 C ATOM 1742 CD GLU A 118 -14.388 -3.830 -11.640 1.00 1.06 C ATOM 1743 OE1 GLU A 118 -15.325 -3.024 -11.818 1.00 0.97 O ATOM 1744 OE2 GLU A 118 -13.772 -4.380 -12.577 1.00 1.88 O ATOM 0 H GLU A 118 -10.976 -4.856 -11.215 1.00 0.28 H new ATOM 0 HA GLU A 118 -11.897 -2.834 -11.490 1.00 0.28 H new ATOM 0 HB2 GLU A 118 -12.758 -3.426 -8.618 1.00 0.30 H new ATOM 0 HB3 GLU A 118 -13.462 -2.168 -9.615 1.00 0.30 H new ATOM 0 HG2 GLU A 118 -13.533 -5.150 -10.190 1.00 0.35 H new ATOM 0 HG3 GLU A 118 -14.864 -4.185 -9.585 1.00 0.35 H new ATOM 1751 N CYS A 119 -9.683 -1.645 -10.527 1.00 0.22 N ATOM 1752 CA CYS A 119 -8.803 -0.576 -10.043 1.00 0.18 C ATOM 1753 C CYS A 119 -8.561 0.509 -11.082 1.00 0.18 C ATOM 1754 O CYS A 119 -8.518 0.256 -12.287 1.00 0.21 O ATOM 1755 CB CYS A 119 -7.441 -1.130 -9.621 1.00 0.17 C ATOM 1756 SG CYS A 119 -7.497 -2.739 -8.779 1.00 0.18 S ATOM 0 H CYS A 119 -9.346 -2.143 -11.351 1.00 0.22 H new ATOM 0 HA CYS A 119 -9.323 -0.139 -9.191 1.00 0.18 H new ATOM 0 HB2 CYS A 119 -6.812 -1.221 -10.507 1.00 0.17 H new ATOM 0 HB3 CYS A 119 -6.960 -0.408 -8.962 1.00 0.17 H new ATOM 1761 N ARG A 120 -8.406 1.727 -10.573 1.00 0.16 N ATOM 1762 CA ARG A 120 -8.152 2.899 -11.384 1.00 0.17 C ATOM 1763 C ARG A 120 -7.130 3.801 -10.689 1.00 0.15 C ATOM 1764 O ARG A 120 -6.915 3.677 -9.485 1.00 0.15 O ATOM 1765 CB ARG A 120 -9.457 3.647 -11.597 1.00 0.18 C ATOM 1766 CG ARG A 120 -9.816 4.562 -10.452 1.00 0.27 C ATOM 1767 CD ARG A 120 -9.715 6.012 -10.872 1.00 0.39 C ATOM 1768 NE ARG A 120 -10.805 6.402 -11.763 1.00 0.70 N ATOM 1769 CZ ARG A 120 -11.202 7.658 -11.942 1.00 0.89 C ATOM 1770 NH1 ARG A 120 -10.603 8.647 -11.290 1.00 0.82 N ATOM 1771 NH2 ARG A 120 -12.200 7.927 -12.774 1.00 1.42 N ATOM 0 H ARG A 120 -8.455 1.924 -9.573 1.00 0.16 H new ATOM 0 HA ARG A 120 -7.747 2.598 -12.350 1.00 0.17 H new ATOM 0 HB2 ARG A 120 -9.386 4.234 -12.513 1.00 0.18 H new ATOM 0 HB3 ARG A 120 -10.261 2.926 -11.742 1.00 0.18 H new ATOM 0 HG2 ARG A 120 -10.829 4.347 -10.112 1.00 0.27 H new ATOM 0 HG3 ARG A 120 -9.151 4.376 -9.609 1.00 0.27 H new ATOM 0 HD2 ARG A 120 -9.726 6.647 -9.986 1.00 0.39 H new ATOM 0 HD3 ARG A 120 -8.761 6.179 -11.372 1.00 0.39 H new ATOM 0 HE ARG A 120 -11.290 5.667 -12.278 1.00 0.70 H new ATOM 0 HH11 ARG A 120 -9.836 8.444 -10.649 1.00 0.82 H new ATOM 0 HH12 ARG A 120 -10.910 9.610 -11.430 1.00 0.82 H new ATOM 0 HH21 ARG A 120 -12.663 7.170 -13.277 1.00 1.42 H new ATOM 0 HH22 ARG A 120 -12.504 8.891 -12.911 1.00 1.42 H new ATOM 1785 N PRO A 121 -6.488 4.722 -11.429 1.00 0.14 N ATOM 1786 CA PRO A 121 -5.493 5.635 -10.860 1.00 0.13 C ATOM 1787 C PRO A 121 -6.130 6.694 -9.967 1.00 0.12 C ATOM 1788 O PRO A 121 -7.038 7.409 -10.388 1.00 0.14 O ATOM 1789 CB PRO A 121 -4.871 6.277 -12.092 1.00 0.15 C ATOM 1790 CG PRO A 121 -5.968 6.263 -13.085 1.00 0.38 C ATOM 1791 CD PRO A 121 -6.669 4.954 -12.873 1.00 0.19 C ATOM 0 HA PRO A 121 -4.775 5.120 -10.221 1.00 0.13 H new ATOM 0 HB2 PRO A 121 -4.530 7.292 -11.886 1.00 0.15 H new ATOM 0 HB3 PRO A 121 -4.006 5.715 -12.443 1.00 0.15 H new ATOM 0 HG2 PRO A 121 -6.647 7.103 -12.935 1.00 0.38 H new ATOM 0 HG3 PRO A 121 -5.581 6.343 -14.101 1.00 0.38 H new ATOM 0 HD2 PRO A 121 -7.723 5.010 -13.146 1.00 0.19 H new ATOM 0 HD3 PRO A 121 -6.227 4.156 -13.470 1.00 0.19 H new ATOM 1799 N PHE A 122 -5.641 6.794 -8.738 1.00 0.10 N ATOM 1800 CA PHE A 122 -6.174 7.752 -7.778 1.00 0.10 C ATOM 1801 C PHE A 122 -5.176 8.860 -7.477 1.00 0.11 C ATOM 1802 O PHE A 122 -3.968 8.629 -7.427 1.00 0.12 O ATOM 1803 CB PHE A 122 -6.541 7.032 -6.481 1.00 0.09 C ATOM 1804 CG PHE A 122 -7.944 7.301 -5.998 1.00 0.10 C ATOM 1805 CD1 PHE A 122 -8.990 7.518 -6.886 1.00 0.11 C ATOM 1806 CD2 PHE A 122 -8.212 7.329 -4.644 1.00 0.11 C ATOM 1807 CE1 PHE A 122 -10.269 7.760 -6.423 1.00 0.13 C ATOM 1808 CE2 PHE A 122 -9.485 7.568 -4.174 1.00 0.13 C ATOM 1809 CZ PHE A 122 -10.518 7.786 -5.065 1.00 0.13 C ATOM 0 H PHE A 122 -4.875 6.223 -8.382 1.00 0.10 H new ATOM 0 HA PHE A 122 -7.062 8.206 -8.218 1.00 0.10 H new ATOM 0 HB2 PHE A 122 -6.419 5.959 -6.628 1.00 0.09 H new ATOM 0 HB3 PHE A 122 -5.838 7.329 -5.703 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -8.801 7.497 -7.949 1.00 0.11 H new ATOM 0 HD2 PHE A 122 -7.410 7.161 -3.941 1.00 0.11 H new ATOM 0 HE1 PHE A 122 -11.074 7.929 -7.123 1.00 0.13 H new ATOM 0 HE2 PHE A 122 -9.675 7.585 -3.111 1.00 0.13 H new ATOM 0 HZ PHE A 122 -11.517 7.976 -4.701 1.00 0.13 H new ATOM 1819 N THR A 123 -5.690 10.071 -7.290 1.00 0.13 N ATOM 1820 CA THR A 123 -4.847 11.211 -6.971 1.00 0.16 C ATOM 1821 C THR A 123 -5.366 11.936 -5.735 1.00 0.17 C ATOM 1822 O THR A 123 -6.382 12.630 -5.787 1.00 0.19 O ATOM 1823 CB THR A 123 -4.768 12.198 -8.146 1.00 0.19 C ATOM 1824 OG1 THR A 123 -6.081 12.639 -8.513 1.00 0.21 O ATOM 1825 CG2 THR A 123 -4.094 11.548 -9.339 1.00 0.19 C ATOM 0 H THR A 123 -6.685 10.285 -7.354 1.00 0.13 H new ATOM 0 HA THR A 123 -3.847 10.827 -6.772 1.00 0.16 H new ATOM 0 HB THR A 123 -4.178 13.059 -7.832 1.00 0.19 H new ATOM 0 HG1 THR A 123 -6.641 12.703 -7.711 1.00 0.21 H new ATOM 0 HG21 THR A 123 -4.046 12.260 -10.163 1.00 0.19 H new ATOM 0 HG22 THR A 123 -3.084 11.242 -9.065 1.00 0.19 H new ATOM 0 HG23 THR A 123 -4.666 10.674 -9.649 1.00 0.19 H new ATOM 1833 N GLY A 124 -4.658 11.764 -4.626 1.00 0.16 N ATOM 1834 CA GLY A 124 -5.041 12.404 -3.383 1.00 0.17 C ATOM 1835 C GLY A 124 -4.937 13.915 -3.446 1.00 0.24 C ATOM 1836 O GLY A 124 -3.860 14.451 -3.105 1.00 1.05 O ATOM 1837 OXT GLY A 124 -5.930 14.564 -3.835 1.00 1.20 O ATOM 0 H GLY A 124 -3.819 11.188 -4.566 1.00 0.16 H new ATOM 0 HA2 GLY A 124 -6.065 12.125 -3.136 1.00 0.17 H new ATOM 0 HA3 GLY A 124 -4.406 12.034 -2.578 1.00 0.17 H new