USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 Single : A 1 MET CE :methyl -133:sc= -0.405 (180deg=-2.4) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.21 (180deg=1.14) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -4.1 K(o=-4.1,f=-4.6!) USER MOD Single : A 13 LYS NZ :NH3+ -96:sc= 1.27 (180deg=-0.466) USER MOD Single : A 16 SER OG : rot -87:sc= -0.423 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 22 LYS NZ :NH3+ -111:sc= 0.5 (180deg=-0.16) USER MOD Single : A 23 MET CE :methyl 141:sc= -0.67 (180deg=-2.97!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 170:sc= -0.336 (180deg=-0.458) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : B 101 MET CE :methyl -145:sc= -0.144 (180deg=-1.19) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 ASN : amide:sc= -3.81! C(o=-3.8!,f=-5.2!) USER MOD Single : B 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 SER OG : rot -83:sc= 0.661 USER MOD Single : B 117 TYR OH : rot 180:sc= -0.117 USER MOD Single : B 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 123 MET CE :methyl 168:sc= -0.713 (180deg=-1.18) USER MOD Single : B 126 THR OG1 : rot 180:sc=7.61e-05 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 134 MET CE :methyl 180:sc=-0.00467 (180deg=-0.00467) USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD Single : B 141 ASN : amide:sc= 0.724 K(o=0.72,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.658 12.953 11.804 1.00 0.00 N ATOM 2 CA MET A 1 -2.923 11.711 11.472 1.00 0.00 C ATOM 3 C MET A 1 -3.117 10.665 12.569 1.00 0.00 C ATOM 4 O MET A 1 -3.188 10.992 13.750 1.00 0.00 O ATOM 5 CB MET A 1 -1.422 11.997 11.284 1.00 0.00 C ATOM 6 CG MET A 1 -0.511 10.764 11.374 1.00 0.00 C ATOM 7 SD MET A 1 1.201 11.127 10.920 1.00 0.00 S ATOM 8 CE MET A 1 0.986 11.575 9.202 1.00 0.00 C ATOM 0 H1 MET A 1 -3.346 13.720 11.175 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.679 12.796 11.679 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.467 13.216 12.792 1.00 0.00 H new ATOM 0 HA MET A 1 -3.325 11.323 10.536 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.276 12.468 10.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.108 12.718 12.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.538 10.371 12.390 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.898 9.983 10.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.731 11.060 8.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.012 11.287 8.873 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.108 12.652 9.089 1.00 0.00 H new ATOM 18 N GLY A 2 -3.211 9.407 12.144 1.00 0.00 N ATOM 19 CA GLY A 2 -3.305 8.308 13.085 1.00 0.00 C ATOM 20 C GLY A 2 -2.492 7.120 12.624 1.00 0.00 C ATOM 21 O GLY A 2 -1.950 7.120 11.525 1.00 0.00 O ATOM 0 H GLY A 2 -3.224 9.131 11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.954 8.634 14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.348 8.014 13.202 1.00 0.00 H new ATOM 25 N SER A 3 -2.423 6.109 13.484 1.00 0.00 N ATOM 26 CA SER A 3 -1.665 4.914 13.207 1.00 0.00 C ATOM 27 C SER A 3 -2.585 3.702 13.036 1.00 0.00 C ATOM 28 O SER A 3 -3.606 3.586 13.726 1.00 0.00 O ATOM 29 CB SER A 3 -0.646 4.666 14.333 1.00 0.00 C ATOM 30 OG SER A 3 -1.249 4.635 15.601 1.00 0.00 O ATOM 0 H SER A 3 -2.894 6.104 14.389 1.00 0.00 H new ATOM 0 HA SER A 3 -1.129 5.057 12.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.133 3.721 14.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.112 5.449 14.313 1.00 0.00 H new ATOM 0 HG SER A 3 -0.565 4.473 16.284 1.00 0.00 H new ATOM 36 N ILE A 4 -2.220 2.827 12.110 1.00 0.00 N ATOM 37 CA ILE A 4 -2.948 1.584 11.850 1.00 0.00 C ATOM 38 C ILE A 4 -1.999 0.399 11.987 1.00 0.00 C ATOM 39 O ILE A 4 -0.776 0.589 12.060 1.00 0.00 O ATOM 40 CB ILE A 4 -3.595 1.576 10.430 1.00 0.00 C ATOM 41 CG1 ILE A 4 -2.518 1.484 9.316 1.00 0.00 C ATOM 42 CG2 ILE A 4 -4.458 2.833 10.237 1.00 0.00 C ATOM 43 CD1 ILE A 4 -2.298 0.087 8.786 1.00 0.00 C ATOM 0 H ILE A 4 -1.405 2.957 11.511 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.752 1.508 12.582 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.228 0.692 10.353 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.809 2.133 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.574 1.866 9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.905 2.818 9.243 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.246 2.852 10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.835 3.721 10.341 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.531 0.108 8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.975 -0.564 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.229 -0.293 8.365 1.00 0.00 H new ATOM 55 N ASN A 5 -2.537 -0.803 12.008 1.00 0.00 N ATOM 56 CA ASN A 5 -1.747 -2.014 12.175 1.00 0.00 C ATOM 57 C ASN A 5 -1.807 -2.848 10.891 1.00 0.00 C ATOM 58 O ASN A 5 -2.876 -3.185 10.401 1.00 0.00 O ATOM 59 CB ASN A 5 -2.284 -2.837 13.357 1.00 0.00 C ATOM 60 CG ASN A 5 -1.416 -4.051 13.656 1.00 0.00 C ATOM 61 OD1 ASN A 5 -0.527 -4.020 14.509 1.00 0.00 O ATOM 62 ND2 ASN A 5 -1.662 -5.138 12.923 1.00 0.00 N ATOM 0 H ASN A 5 -3.538 -0.972 11.910 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.712 -1.739 12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.338 -2.204 14.243 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.300 -3.165 13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.105 -5.982 13.059 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.407 -5.125 12.226 1.00 0.00 H new ATOM 69 N LEU A 6 -0.646 -3.136 10.336 1.00 0.00 N ATOM 70 CA LEU A 6 -0.518 -3.930 9.137 1.00 0.00 C ATOM 71 C LEU A 6 0.190 -5.242 9.507 1.00 0.00 C ATOM 72 O LEU A 6 1.076 -5.233 10.356 1.00 0.00 O ATOM 73 CB LEU A 6 0.252 -3.109 8.086 1.00 0.00 C ATOM 74 CG LEU A 6 0.499 -3.746 6.695 1.00 0.00 C ATOM 75 CD1 LEU A 6 1.667 -4.719 6.707 1.00 0.00 C ATOM 76 CD2 LEU A 6 -0.782 -4.438 6.196 1.00 0.00 C ATOM 0 H LEU A 6 0.247 -2.818 10.714 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.486 -4.184 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.288 -2.175 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.222 -2.851 8.511 1.00 0.00 H new ATOM 0 HG LEU A 6 0.763 -2.943 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.801 -5.139 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.575 -4.194 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.464 -5.522 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.598 -4.882 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.072 -5.218 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.584 -3.704 6.116 1.00 0.00 H new ATOM 88 N ARG A 7 -0.179 -6.372 8.894 1.00 0.00 N ATOM 89 CA ARG A 7 0.383 -7.655 9.279 1.00 0.00 C ATOM 90 C ARG A 7 0.704 -8.467 8.029 1.00 0.00 C ATOM 91 O ARG A 7 -0.191 -8.737 7.216 1.00 0.00 O ATOM 92 CB ARG A 7 -0.589 -8.444 10.183 1.00 0.00 C ATOM 93 CG ARG A 7 -0.795 -7.806 11.555 1.00 0.00 C ATOM 94 CD ARG A 7 -1.510 -8.753 12.522 1.00 0.00 C ATOM 95 NE ARG A 7 -1.771 -8.107 13.800 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.997 -7.918 14.298 1.00 0.00 C ATOM 97 NH1 ARG A 7 -4.074 -8.236 13.582 1.00 0.00 N ATOM 98 NH2 ARG A 7 -3.156 -7.333 15.484 1.00 0.00 N ATOM 0 H ARG A 7 -0.860 -6.417 8.136 1.00 0.00 H new ATOM 0 HA ARG A 7 1.297 -7.473 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.553 -8.528 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.209 -9.457 10.315 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.171 -7.522 11.972 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.377 -6.891 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.450 -9.084 12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.901 -9.643 12.680 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.974 -7.780 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.967 -8.627 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.006 -8.089 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.341 -7.028 16.015 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.093 -7.190 15.861 1.00 0.00 H new ATOM 112 N ILE A 8 1.969 -8.843 7.850 1.00 0.00 N ATOM 113 CA ILE A 8 2.398 -9.635 6.694 1.00 0.00 C ATOM 114 C ILE A 8 3.472 -10.624 7.108 1.00 0.00 C ATOM 115 O ILE A 8 3.965 -10.571 8.237 1.00 0.00 O ATOM 116 CB ILE A 8 2.969 -8.776 5.527 1.00 0.00 C ATOM 117 CG1 ILE A 8 4.335 -8.139 5.887 1.00 0.00 C ATOM 118 CG2 ILE A 8 1.960 -7.704 5.099 1.00 0.00 C ATOM 119 CD1 ILE A 8 4.358 -7.314 7.151 1.00 0.00 C ATOM 0 H ILE A 8 2.723 -8.610 8.497 1.00 0.00 H new ATOM 0 HA ILE A 8 1.501 -10.140 6.336 1.00 0.00 H new ATOM 0 HB ILE A 8 3.141 -9.446 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.073 -8.935 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.651 -7.508 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.379 -7.115 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.039 -8.183 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.743 -7.050 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.361 -6.916 7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.651 -6.490 7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.079 -7.940 7.999 1.00 0.00 H new ATOM 131 N ASP A 9 3.812 -11.546 6.212 1.00 0.00 N ATOM 132 CA ASP A 9 4.877 -12.490 6.490 1.00 0.00 C ATOM 133 C ASP A 9 6.199 -11.753 6.603 1.00 0.00 C ATOM 134 O ASP A 9 6.504 -10.886 5.766 1.00 0.00 O ATOM 135 CB ASP A 9 4.967 -13.577 5.398 1.00 0.00 C ATOM 136 CG ASP A 9 5.783 -14.783 5.846 1.00 0.00 C ATOM 137 OD1 ASP A 9 6.977 -14.627 6.165 1.00 0.00 O ATOM 138 OD2 ASP A 9 5.205 -15.897 5.913 1.00 0.00 O ATOM 0 H ASP A 9 3.369 -11.655 5.300 1.00 0.00 H new ATOM 0 HA ASP A 9 4.654 -12.985 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.962 -13.901 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.416 -13.151 4.501 1.00 0.00 H new ATOM 143 N ASP A 10 6.997 -12.090 7.628 1.00 0.00 N ATOM 144 CA ASP A 10 8.212 -11.363 7.937 1.00 0.00 C ATOM 145 C ASP A 10 9.186 -11.366 6.760 1.00 0.00 C ATOM 146 O ASP A 10 9.989 -10.444 6.605 1.00 0.00 O ATOM 147 CB ASP A 10 8.889 -11.955 9.172 1.00 0.00 C ATOM 148 CG ASP A 10 8.058 -11.768 10.430 1.00 0.00 C ATOM 149 OD1 ASP A 10 7.231 -12.658 10.726 1.00 0.00 O ATOM 150 OD2 ASP A 10 8.203 -10.744 11.129 1.00 0.00 O ATOM 0 H ASP A 10 6.809 -12.872 8.256 1.00 0.00 H new ATOM 0 HA ASP A 10 7.931 -10.330 8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.067 -13.018 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.863 -11.486 9.310 1.00 0.00 H new ATOM 155 N GLU A 11 9.083 -12.396 5.914 1.00 0.00 N ATOM 156 CA GLU A 11 9.942 -12.517 4.754 1.00 0.00 C ATOM 157 C GLU A 11 9.682 -11.375 3.776 1.00 0.00 C ATOM 158 O GLU A 11 10.612 -10.765 3.255 1.00 0.00 O ATOM 159 CB GLU A 11 9.765 -13.857 4.040 1.00 0.00 C ATOM 160 CG GLU A 11 8.398 -14.050 3.376 1.00 0.00 C ATOM 161 CD GLU A 11 8.422 -15.127 2.306 1.00 0.00 C ATOM 162 OE1 GLU A 11 8.799 -14.816 1.154 1.00 0.00 O ATOM 163 OE2 GLU A 11 8.084 -16.277 2.604 1.00 0.00 O ATOM 0 H GLU A 11 8.409 -13.154 6.020 1.00 0.00 H new ATOM 0 HA GLU A 11 10.970 -12.465 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.540 -13.954 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.922 -14.661 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.662 -14.313 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.076 -13.108 2.932 1.00 0.00 H new ATOM 170 N LEU A 12 8.406 -11.062 3.576 1.00 0.00 N ATOM 171 CA LEU A 12 7.996 -10.108 2.558 1.00 0.00 C ATOM 172 C LEU A 12 8.323 -8.712 3.045 1.00 0.00 C ATOM 173 O LEU A 12 8.792 -7.849 2.288 1.00 0.00 O ATOM 174 CB LEU A 12 6.499 -10.246 2.302 1.00 0.00 C ATOM 175 CG LEU A 12 5.914 -9.245 1.280 1.00 0.00 C ATOM 176 CD1 LEU A 12 6.568 -9.415 -0.081 1.00 0.00 C ATOM 177 CD2 LEU A 12 4.404 -9.393 1.171 1.00 0.00 C ATOM 0 H LEU A 12 7.634 -11.460 4.111 1.00 0.00 H new ATOM 0 HA LEU A 12 8.525 -10.300 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.298 -11.258 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.972 -10.125 3.248 1.00 0.00 H new ATOM 0 HG LEU A 12 6.130 -8.239 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.139 -8.699 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.640 -9.240 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.394 -10.428 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.020 -8.676 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.160 -10.405 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.949 -9.204 2.143 1.00 0.00 H new ATOM 189 N LYS A 13 8.061 -8.499 4.337 1.00 0.00 N ATOM 190 CA LYS A 13 8.420 -7.282 5.027 1.00 0.00 C ATOM 191 C LYS A 13 9.863 -6.893 4.739 1.00 0.00 C ATOM 192 O LYS A 13 10.141 -5.760 4.346 1.00 0.00 O ATOM 193 CB LYS A 13 8.255 -7.470 6.546 1.00 0.00 C ATOM 194 CG LYS A 13 9.051 -6.464 7.394 1.00 0.00 C ATOM 195 CD LYS A 13 9.530 -7.095 8.705 1.00 0.00 C ATOM 196 CE LYS A 13 8.360 -7.512 9.577 1.00 0.00 C ATOM 197 NZ LYS A 13 8.791 -8.121 10.871 1.00 0.00 N ATOM 0 H LYS A 13 7.588 -9.181 4.930 1.00 0.00 H new ATOM 0 HA LYS A 13 7.760 -6.491 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.198 -7.386 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.567 -8.480 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.909 -6.106 6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.428 -5.596 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.151 -7.964 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.154 -6.384 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.736 -6.642 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.743 -8.226 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.797 -9.157 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.747 -7.788 11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.129 -7.842 11.623 1.00 0.00 H new ATOM 211 N ALA A 14 10.759 -7.837 4.954 1.00 0.00 N ATOM 212 CA ALA A 14 12.186 -7.578 4.834 1.00 0.00 C ATOM 213 C ALA A 14 12.549 -7.038 3.442 1.00 0.00 C ATOM 214 O ALA A 14 13.257 -6.034 3.328 1.00 0.00 O ATOM 215 CB ALA A 14 12.964 -8.860 5.142 1.00 0.00 C ATOM 0 H ALA A 14 10.525 -8.795 5.214 1.00 0.00 H new ATOM 0 HA ALA A 14 12.460 -6.808 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.033 -8.667 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.738 -9.188 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.675 -9.639 4.436 1.00 0.00 H new ATOM 221 N ARG A 15 12.034 -7.681 2.382 1.00 0.00 N ATOM 222 CA ARG A 15 12.344 -7.260 1.008 1.00 0.00 C ATOM 223 C ARG A 15 11.794 -5.867 0.725 1.00 0.00 C ATOM 224 O ARG A 15 12.520 -4.987 0.242 1.00 0.00 O ATOM 225 CB ARG A 15 11.757 -8.249 -0.022 1.00 0.00 C ATOM 226 CG ARG A 15 12.517 -9.579 -0.160 1.00 0.00 C ATOM 227 CD ARG A 15 12.406 -10.428 1.094 1.00 0.00 C ATOM 228 NE ARG A 15 12.972 -11.774 0.908 1.00 0.00 N ATOM 229 CZ ARG A 15 12.256 -12.905 0.872 1.00 0.00 C ATOM 230 NH1 ARG A 15 10.916 -12.875 0.939 1.00 0.00 N ATOM 231 NH2 ARG A 15 12.877 -14.066 0.738 1.00 0.00 N ATOM 0 H ARG A 15 11.409 -8.484 2.448 1.00 0.00 H new ATOM 0 HA ARG A 15 13.430 -7.245 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.725 -8.466 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.731 -7.761 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.124 -10.135 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.567 -9.377 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.922 -9.929 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.358 -10.513 1.381 1.00 0.00 H new ATOM 0 HE ARG A 15 13.983 -11.851 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.429 -11.982 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.384 -13.745 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.894 -14.095 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.339 -14.932 0.710 1.00 0.00 H new ATOM 245 N SER A 16 10.507 -5.666 1.033 1.00 0.00 N ATOM 246 CA SER A 16 9.842 -4.387 0.770 1.00 0.00 C ATOM 247 C SER A 16 10.574 -3.241 1.455 1.00 0.00 C ATOM 248 O SER A 16 11.008 -2.279 0.810 1.00 0.00 O ATOM 249 CB SER A 16 8.388 -4.462 1.240 1.00 0.00 C ATOM 250 OG SER A 16 7.738 -3.202 1.132 1.00 0.00 O ATOM 0 H SER A 16 9.908 -6.371 1.463 1.00 0.00 H new ATOM 0 HA SER A 16 9.860 -4.193 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.851 -5.201 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.357 -4.801 2.276 1.00 0.00 H new ATOM 0 HG SER A 16 7.894 -2.682 1.948 1.00 0.00 H new ATOM 256 N TYR A 17 10.703 -3.346 2.776 1.00 0.00 N ATOM 257 CA TYR A 17 11.358 -2.310 3.570 1.00 0.00 C ATOM 258 C TYR A 17 12.770 -2.038 3.061 1.00 0.00 C ATOM 259 O TYR A 17 13.226 -0.903 3.092 1.00 0.00 O ATOM 260 CB TYR A 17 11.389 -2.737 5.046 1.00 0.00 C ATOM 261 CG TYR A 17 10.118 -2.393 5.810 1.00 0.00 C ATOM 262 CD1 TYR A 17 8.964 -3.151 5.680 1.00 0.00 C ATOM 263 CD2 TYR A 17 10.097 -1.310 6.671 1.00 0.00 C ATOM 264 CE1 TYR A 17 7.819 -2.822 6.391 1.00 0.00 C ATOM 265 CE2 TYR A 17 8.953 -0.983 7.374 1.00 0.00 C ATOM 266 CZ TYR A 17 7.821 -1.743 7.229 1.00 0.00 C ATOM 267 OH TYR A 17 6.664 -1.403 7.928 1.00 0.00 O ATOM 0 H TYR A 17 10.362 -4.139 3.319 1.00 0.00 H new ATOM 0 HA TYR A 17 10.789 -1.385 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.555 -3.813 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 17 12.237 -2.259 5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.957 -4.005 5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 17 10.987 -0.712 6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.926 -3.419 6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.951 -0.130 8.037 1.00 0.00 H new ATOM 0 HH TYR A 17 6.836 -0.612 8.480 1.00 0.00 H new ATOM 277 N ALA A 18 13.462 -3.084 2.608 1.00 0.00 N ATOM 278 CA ALA A 18 14.818 -2.920 2.063 1.00 0.00 C ATOM 279 C ALA A 18 14.798 -2.094 0.779 1.00 0.00 C ATOM 280 O ALA A 18 15.621 -1.199 0.586 1.00 0.00 O ATOM 281 CB ALA A 18 15.445 -4.276 1.802 1.00 0.00 C ATOM 0 H ALA A 18 13.115 -4.043 2.605 1.00 0.00 H new ATOM 0 HA ALA A 18 15.417 -2.386 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.449 -4.141 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.501 -4.837 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.836 -4.826 1.084 1.00 0.00 H new ATOM 287 N ALA A 19 13.834 -2.383 -0.093 1.00 0.00 N ATOM 288 CA ALA A 19 13.695 -1.702 -1.372 1.00 0.00 C ATOM 289 C ALA A 19 13.442 -0.211 -1.187 1.00 0.00 C ATOM 290 O ALA A 19 14.072 0.617 -1.840 1.00 0.00 O ATOM 291 CB ALA A 19 12.560 -2.341 -2.170 1.00 0.00 C ATOM 0 H ALA A 19 13.126 -3.099 0.071 1.00 0.00 H new ATOM 0 HA ALA A 19 14.630 -1.808 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.456 -1.831 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.784 -3.394 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.629 -2.255 -1.610 1.00 0.00 H new ATOM 297 N LEU A 20 12.537 0.124 -0.274 1.00 0.00 N ATOM 298 CA LEU A 20 12.126 1.517 -0.095 1.00 0.00 C ATOM 299 C LEU A 20 13.227 2.327 0.603 1.00 0.00 C ATOM 300 O LEU A 20 13.449 3.493 0.248 1.00 0.00 O ATOM 301 CB LEU A 20 10.764 1.579 0.646 1.00 0.00 C ATOM 302 CG LEU A 20 10.662 0.841 1.993 1.00 0.00 C ATOM 303 CD1 LEU A 20 11.280 1.629 3.140 1.00 0.00 C ATOM 304 CD2 LEU A 20 9.205 0.498 2.317 1.00 0.00 C ATOM 0 H LEU A 20 12.077 -0.540 0.349 1.00 0.00 H new ATOM 0 HA LEU A 20 11.981 1.980 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.519 2.627 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.999 1.177 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 20 11.234 -0.081 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.180 1.062 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.336 1.804 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.767 2.585 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.158 -0.023 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.619 1.415 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.799 -0.143 1.534 1.00 0.00 H new ATOM 316 N GLU A 21 13.926 1.710 1.555 1.00 0.00 N ATOM 317 CA GLU A 21 15.014 2.398 2.244 1.00 0.00 C ATOM 318 C GLU A 21 16.202 2.570 1.296 1.00 0.00 C ATOM 319 O GLU A 21 17.022 3.477 1.468 1.00 0.00 O ATOM 320 CB GLU A 21 15.446 1.648 3.511 1.00 0.00 C ATOM 321 CG GLU A 21 15.957 0.240 3.246 1.00 0.00 C ATOM 322 CD GLU A 21 16.577 -0.401 4.468 1.00 0.00 C ATOM 323 OE1 GLU A 21 17.739 -0.056 4.801 1.00 0.00 O ATOM 324 OE2 GLU A 21 15.930 -1.231 5.120 1.00 0.00 O ATOM 0 H GLU A 21 13.762 0.751 1.862 1.00 0.00 H new ATOM 0 HA GLU A 21 14.652 3.379 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.227 2.220 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.600 1.595 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.132 -0.380 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.695 0.272 2.445 1.00 0.00 H new ATOM 331 N LYS A 22 16.273 1.705 0.303 1.00 0.00 N ATOM 332 CA LYS A 22 17.269 1.776 -0.759 1.00 0.00 C ATOM 333 C LYS A 22 16.990 3.015 -1.618 1.00 0.00 C ATOM 334 O LYS A 22 17.857 3.858 -1.829 1.00 0.00 O ATOM 335 CB LYS A 22 17.201 0.500 -1.597 1.00 0.00 C ATOM 336 CG LYS A 22 18.064 0.488 -2.842 1.00 0.00 C ATOM 337 CD LYS A 22 17.749 -0.747 -3.670 1.00 0.00 C ATOM 338 CE LYS A 22 18.593 -0.831 -4.948 1.00 0.00 C ATOM 339 NZ LYS A 22 18.252 -2.025 -5.758 1.00 0.00 N ATOM 0 H LYS A 22 15.631 0.918 0.206 1.00 0.00 H new ATOM 0 HA LYS A 22 18.272 1.859 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.490 -0.342 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.165 0.336 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.884 1.388 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.118 0.494 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.921 -1.638 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.692 -0.741 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.439 0.068 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.650 -0.861 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.045 -2.697 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.402 -2.479 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.069 -1.737 -6.740 1.00 0.00 H new ATOM 353 N MET A 23 15.752 3.077 -2.085 1.00 0.00 N ATOM 354 CA MET A 23 15.256 4.187 -2.904 1.00 0.00 C ATOM 355 C MET A 23 15.414 5.515 -2.165 1.00 0.00 C ATOM 356 O MET A 23 15.680 6.551 -2.778 1.00 0.00 O ATOM 357 CB MET A 23 13.807 3.953 -3.281 1.00 0.00 C ATOM 358 CG MET A 23 13.588 2.704 -4.117 1.00 0.00 C ATOM 359 SD MET A 23 11.877 2.149 -4.094 1.00 0.00 S ATOM 360 CE MET A 23 11.037 3.615 -4.674 1.00 0.00 C ATOM 0 H MET A 23 15.053 2.355 -1.908 1.00 0.00 H new ATOM 0 HA MET A 23 15.848 4.236 -3.818 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.211 3.880 -2.371 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.440 4.818 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.888 2.902 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.230 1.905 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.224 3.329 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.632 4.163 -3.823 1.00 0.00 H new ATOM 0 HE3 MET A 23 11.742 4.249 -5.212 1.00 0.00 H new ATOM 370 N GLY A 24 15.272 5.456 -0.838 1.00 0.00 N ATOM 371 CA GLY A 24 15.369 6.658 -0.030 1.00 0.00 C ATOM 372 C GLY A 24 14.001 7.149 0.431 1.00 0.00 C ATOM 373 O GLY A 24 13.847 8.292 0.845 1.00 0.00 O ATOM 0 H GLY A 24 15.092 4.600 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.995 6.460 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.861 7.443 -0.605 1.00 0.00 H new ATOM 377 N VAL A 25 13.008 6.275 0.345 1.00 0.00 N ATOM 378 CA VAL A 25 11.641 6.578 0.757 1.00 0.00 C ATOM 379 C VAL A 25 11.333 5.968 2.123 1.00 0.00 C ATOM 380 O VAL A 25 11.520 4.769 2.333 1.00 0.00 O ATOM 381 CB VAL A 25 10.602 6.092 -0.305 1.00 0.00 C ATOM 382 CG1 VAL A 25 10.944 4.724 -0.867 1.00 0.00 C ATOM 383 CG2 VAL A 25 9.191 6.086 0.275 1.00 0.00 C ATOM 0 H VAL A 25 13.127 5.328 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 25 11.558 7.662 0.837 1.00 0.00 H new ATOM 0 HB VAL A 25 10.644 6.803 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.191 4.433 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.922 4.762 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.965 3.993 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.487 5.744 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.153 5.415 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.923 7.094 0.590 1.00 0.00 H new ATOM 393 N THR A 26 10.883 6.812 3.050 1.00 0.00 N ATOM 394 CA THR A 26 10.480 6.372 4.371 1.00 0.00 C ATOM 395 C THR A 26 9.348 5.345 4.295 1.00 0.00 C ATOM 396 O THR A 26 8.387 5.539 3.536 1.00 0.00 O ATOM 397 CB THR A 26 10.032 7.597 5.202 1.00 0.00 C ATOM 398 OG1 THR A 26 11.063 8.589 5.211 1.00 0.00 O ATOM 399 CG2 THR A 26 9.699 7.205 6.630 1.00 0.00 C ATOM 0 H THR A 26 10.790 7.817 2.900 1.00 0.00 H new ATOM 0 HA THR A 26 11.332 5.891 4.851 1.00 0.00 H new ATOM 0 HB THR A 26 9.134 8.003 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.769 9.361 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.388 8.089 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.890 6.474 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.580 6.770 7.103 1.00 0.00 H new ATOM 407 N PRO A 27 9.430 4.229 5.056 1.00 0.00 N ATOM 408 CA PRO A 27 8.420 3.163 5.037 1.00 0.00 C ATOM 409 C PRO A 27 6.990 3.717 5.142 1.00 0.00 C ATOM 410 O PRO A 27 6.153 3.442 4.285 1.00 0.00 O ATOM 411 CB PRO A 27 8.754 2.292 6.271 1.00 0.00 C ATOM 412 CG PRO A 27 9.856 3.006 6.987 1.00 0.00 C ATOM 413 CD PRO A 27 10.533 3.885 5.968 1.00 0.00 C ATOM 0 HA PRO A 27 8.448 2.606 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.882 2.174 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.066 1.292 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.461 3.601 7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.563 2.296 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.972 4.772 6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.337 3.361 5.452 1.00 0.00 H new ATOM 421 N SER A 28 6.750 4.532 6.166 1.00 0.00 N ATOM 422 CA SER A 28 5.416 5.124 6.393 1.00 0.00 C ATOM 423 C SER A 28 4.965 5.934 5.185 1.00 0.00 C ATOM 424 O SER A 28 3.756 6.090 4.934 1.00 0.00 O ATOM 425 CB SER A 28 5.470 5.994 7.651 1.00 0.00 C ATOM 426 OG SER A 28 6.012 5.280 8.768 1.00 0.00 O ATOM 0 H SER A 28 7.453 4.802 6.854 1.00 0.00 H new ATOM 0 HA SER A 28 4.685 4.328 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.077 6.878 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.467 6.343 7.895 1.00 0.00 H new ATOM 0 HG SER A 28 6.033 5.867 9.553 1.00 0.00 H new ATOM 432 N GLU A 29 5.922 6.446 4.415 1.00 0.00 N ATOM 433 CA GLU A 29 5.629 7.276 3.248 1.00 0.00 C ATOM 434 C GLU A 29 5.249 6.415 2.049 1.00 0.00 C ATOM 435 O GLU A 29 4.302 6.737 1.327 1.00 0.00 O ATOM 436 CB GLU A 29 6.838 8.171 2.902 1.00 0.00 C ATOM 437 CG GLU A 29 6.953 9.421 3.766 1.00 0.00 C ATOM 438 CD GLU A 29 5.897 10.468 3.400 1.00 0.00 C ATOM 439 OE1 GLU A 29 4.749 10.350 3.874 1.00 0.00 O ATOM 440 OE2 GLU A 29 6.230 11.409 2.655 1.00 0.00 O ATOM 0 H GLU A 29 6.918 6.299 4.581 1.00 0.00 H new ATOM 0 HA GLU A 29 4.781 7.915 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.752 7.585 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.768 8.470 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.845 9.148 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.947 9.852 3.650 1.00 0.00 H new ATOM 447 N ALA A 30 5.982 5.312 1.827 1.00 0.00 N ATOM 448 CA ALA A 30 5.652 4.389 0.724 1.00 0.00 C ATOM 449 C ALA A 30 4.234 3.838 0.865 1.00 0.00 C ATOM 450 O ALA A 30 3.524 3.648 -0.123 1.00 0.00 O ATOM 451 CB ALA A 30 6.672 3.251 0.671 1.00 0.00 C ATOM 0 H ALA A 30 6.792 5.039 2.383 1.00 0.00 H new ATOM 0 HA ALA A 30 5.696 4.946 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.420 2.575 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.668 3.662 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.656 2.703 1.613 1.00 0.00 H new ATOM 457 N LEU A 31 3.834 3.560 2.102 1.00 0.00 N ATOM 458 CA LEU A 31 2.480 3.080 2.375 1.00 0.00 C ATOM 459 C LEU A 31 1.483 4.244 2.267 1.00 0.00 C ATOM 460 O LEU A 31 0.334 4.049 1.893 1.00 0.00 O ATOM 461 CB LEU A 31 2.403 2.421 3.764 1.00 0.00 C ATOM 462 CG LEU A 31 2.996 1.005 3.887 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.273 0.027 2.966 1.00 0.00 C ATOM 464 CD2 LEU A 31 4.506 1.002 3.612 1.00 0.00 C ATOM 0 H LEU A 31 4.423 3.658 2.929 1.00 0.00 H new ATOM 0 HA LEU A 31 2.219 2.325 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.914 3.068 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.356 2.380 4.064 1.00 0.00 H new ATOM 0 HG LEU A 31 2.847 0.676 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.712 -0.965 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.217 -0.012 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.373 0.359 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.891 -0.013 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.693 1.367 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.008 1.650 4.331 1.00 0.00 H new ATOM 476 N ARG A 32 1.956 5.451 2.602 1.00 0.00 N ATOM 477 CA ARG A 32 1.128 6.643 2.523 1.00 0.00 C ATOM 478 C ARG A 32 0.673 6.906 1.075 1.00 0.00 C ATOM 479 O ARG A 32 -0.519 7.087 0.812 1.00 0.00 O ATOM 480 CB ARG A 32 1.887 7.866 3.083 1.00 0.00 C ATOM 481 CG ARG A 32 1.103 9.178 3.087 1.00 0.00 C ATOM 482 CD ARG A 32 1.292 9.985 1.807 1.00 0.00 C ATOM 483 NE ARG A 32 2.685 10.456 1.669 1.00 0.00 N ATOM 484 CZ ARG A 32 3.247 10.852 0.517 1.00 0.00 C ATOM 485 NH1 ARG A 32 2.559 10.749 -0.612 1.00 0.00 N ATOM 486 NH2 ARG A 32 4.490 11.271 0.497 1.00 0.00 N ATOM 0 H ARG A 32 2.907 5.619 2.929 1.00 0.00 H new ATOM 0 HA ARG A 32 0.238 6.477 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.196 7.644 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.796 8.007 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.043 8.962 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.416 9.780 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.026 9.372 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.616 10.840 1.811 1.00 0.00 H new ATOM 0 HE ARG A 32 3.261 10.482 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.612 10.371 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.977 11.047 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.033 11.297 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.913 11.571 -0.381 1.00 0.00 H new ATOM 500 N LEU A 33 1.623 6.895 0.145 1.00 0.00 N ATOM 501 CA LEU A 33 1.314 7.113 -1.255 1.00 0.00 C ATOM 502 C LEU A 33 0.561 5.920 -1.849 1.00 0.00 C ATOM 503 O LEU A 33 -0.115 6.036 -2.874 1.00 0.00 O ATOM 504 CB LEU A 33 2.583 7.447 -2.065 1.00 0.00 C ATOM 505 CG LEU A 33 3.826 6.597 -1.787 1.00 0.00 C ATOM 506 CD1 LEU A 33 3.938 5.396 -2.728 1.00 0.00 C ATOM 507 CD2 LEU A 33 5.065 7.472 -1.876 1.00 0.00 C ATOM 0 H LEU A 33 2.612 6.737 0.340 1.00 0.00 H new ATOM 0 HA LEU A 33 0.654 7.978 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.342 7.359 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.838 8.491 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 33 3.735 6.190 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.837 4.828 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.062 4.758 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.995 5.746 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.951 6.869 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.135 7.903 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.999 8.272 -1.139 1.00 0.00 H new ATOM 519 N MET A 34 0.683 4.766 -1.200 1.00 0.00 N ATOM 520 CA MET A 34 -0.104 3.598 -1.574 1.00 0.00 C ATOM 521 C MET A 34 -1.568 3.866 -1.316 1.00 0.00 C ATOM 522 O MET A 34 -2.417 3.617 -2.183 1.00 0.00 O ATOM 523 CB MET A 34 0.356 2.341 -0.811 1.00 0.00 C ATOM 524 CG MET A 34 -0.632 1.164 -0.924 1.00 0.00 C ATOM 525 SD MET A 34 -2.097 1.380 0.120 1.00 0.00 S ATOM 526 CE MET A 34 -3.046 -0.065 -0.338 1.00 0.00 C ATOM 0 H MET A 34 1.317 4.616 -0.415 1.00 0.00 H new ATOM 0 HA MET A 34 0.046 3.410 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.328 2.028 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.492 2.592 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.944 1.055 -1.963 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.125 0.241 -0.645 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.891 -0.175 0.341 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.412 0.049 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.413 -0.950 -0.276 1.00 0.00 H new ATOM 536 N LEU A 35 -1.866 4.438 -0.145 1.00 0.00 N ATOM 537 CA LEU A 35 -3.240 4.716 0.231 1.00 0.00 C ATOM 538 C LEU A 35 -3.872 5.689 -0.755 1.00 0.00 C ATOM 539 O LEU A 35 -5.075 5.677 -0.971 1.00 0.00 O ATOM 540 CB LEU A 35 -3.298 5.249 1.671 1.00 0.00 C ATOM 541 CG LEU A 35 -2.865 4.241 2.759 1.00 0.00 C ATOM 542 CD1 LEU A 35 -2.984 4.875 4.137 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.704 2.965 2.670 1.00 0.00 C ATOM 0 H LEU A 35 -1.172 4.713 0.550 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.815 3.791 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.662 6.132 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.317 5.572 1.882 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.822 3.971 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.676 4.156 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.343 5.755 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.018 5.169 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.386 2.266 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.756 3.211 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.568 2.508 1.690 1.00 0.00 H new ATOM 555 N GLU A 36 -3.029 6.513 -1.340 1.00 0.00 N ATOM 556 CA GLU A 36 -3.467 7.464 -2.359 1.00 0.00 C ATOM 557 C GLU A 36 -3.914 6.737 -3.631 1.00 0.00 C ATOM 558 O GLU A 36 -5.017 6.981 -4.128 1.00 0.00 O ATOM 559 CB GLU A 36 -2.336 8.466 -2.660 1.00 0.00 C ATOM 560 CG GLU A 36 -1.741 9.086 -1.402 1.00 0.00 C ATOM 561 CD GLU A 36 -0.842 10.272 -1.670 1.00 0.00 C ATOM 562 OE1 GLU A 36 0.350 10.087 -1.957 1.00 0.00 O ATOM 563 OE2 GLU A 36 -1.340 11.422 -1.608 1.00 0.00 O ATOM 0 H GLU A 36 -2.031 6.549 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.327 8.015 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.548 7.959 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.721 9.258 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.552 9.399 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.172 8.325 -0.868 1.00 0.00 H new ATOM 570 N TYR A 37 -3.080 5.826 -4.154 1.00 0.00 N ATOM 571 CA TYR A 37 -3.382 5.204 -5.452 1.00 0.00 C ATOM 572 C TYR A 37 -4.606 4.294 -5.370 1.00 0.00 C ATOM 573 O TYR A 37 -5.323 4.146 -6.347 1.00 0.00 O ATOM 574 CB TYR A 37 -2.160 4.433 -6.017 1.00 0.00 C ATOM 575 CG TYR A 37 -1.987 2.989 -5.550 1.00 0.00 C ATOM 576 CD1 TYR A 37 -2.858 1.984 -5.963 1.00 0.00 C ATOM 577 CD2 TYR A 37 -0.935 2.634 -4.698 1.00 0.00 C ATOM 578 CE1 TYR A 37 -2.700 0.682 -5.536 1.00 0.00 C ATOM 579 CE2 TYR A 37 -0.759 1.335 -4.276 1.00 0.00 C ATOM 580 CZ TYR A 37 -1.646 0.359 -4.693 1.00 0.00 C ATOM 581 OH TYR A 37 -1.482 -0.936 -4.284 1.00 0.00 O ATOM 0 H TYR A 37 -2.216 5.510 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.614 6.014 -6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.230 4.433 -7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.258 4.986 -5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.672 2.228 -6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.246 3.396 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.393 -0.082 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.064 1.081 -3.625 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.698 -0.997 -3.699 1.00 0.00 H new ATOM 591 N ILE A 38 -4.812 3.640 -4.224 1.00 0.00 N ATOM 592 CA ILE A 38 -5.964 2.738 -4.059 1.00 0.00 C ATOM 593 C ILE A 38 -7.263 3.541 -3.994 1.00 0.00 C ATOM 594 O ILE A 38 -8.265 3.173 -4.601 1.00 0.00 O ATOM 595 CB ILE A 38 -5.832 1.815 -2.815 1.00 0.00 C ATOM 596 CG1 ILE A 38 -7.174 1.117 -2.459 1.00 0.00 C ATOM 597 CG2 ILE A 38 -5.288 2.575 -1.611 1.00 0.00 C ATOM 598 CD1 ILE A 38 -7.709 0.183 -3.523 1.00 0.00 C ATOM 0 H ILE A 38 -4.208 3.713 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.985 2.087 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.116 1.037 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.040 0.553 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.923 1.883 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.209 1.899 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.303 2.976 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.963 3.394 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.647 -0.256 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.881 0.741 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.984 -0.610 -3.709 1.00 0.00 H new ATOM 610 N ALA A 39 -7.224 4.652 -3.278 1.00 0.00 N ATOM 611 CA ALA A 39 -8.413 5.493 -3.135 1.00 0.00 C ATOM 612 C ALA A 39 -8.848 6.068 -4.473 1.00 0.00 C ATOM 613 O ALA A 39 -10.043 6.189 -4.764 1.00 0.00 O ATOM 614 CB ALA A 39 -8.137 6.610 -2.148 1.00 0.00 C ATOM 0 H ALA A 39 -6.396 4.994 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.227 4.872 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.026 7.233 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.879 6.184 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.307 7.218 -2.509 1.00 0.00 H new ATOM 620 N ASP A 40 -7.851 6.410 -5.296 1.00 0.00 N ATOM 621 CA ASP A 40 -8.104 7.068 -6.583 1.00 0.00 C ATOM 622 C ASP A 40 -8.472 6.057 -7.671 1.00 0.00 C ATOM 623 O ASP A 40 -9.423 6.259 -8.434 1.00 0.00 O ATOM 624 CB ASP A 40 -6.859 7.859 -7.037 1.00 0.00 C ATOM 625 CG ASP A 40 -7.102 8.683 -8.287 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.547 9.849 -8.167 1.00 0.00 O ATOM 627 OD2 ASP A 40 -6.846 8.180 -9.399 1.00 0.00 O ATOM 0 H ASP A 40 -6.865 6.243 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.944 7.747 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.541 8.519 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.041 7.163 -7.221 1.00 0.00 H new ATOM 632 N ASN A 41 -7.718 4.961 -7.744 1.00 0.00 N ATOM 633 CA ASN A 41 -7.825 3.997 -8.830 1.00 0.00 C ATOM 634 C ASN A 41 -8.773 2.842 -8.485 1.00 0.00 C ATOM 635 O ASN A 41 -9.472 2.322 -9.357 1.00 0.00 O ATOM 636 CB ASN A 41 -6.440 3.446 -9.188 1.00 0.00 C ATOM 637 CG ASN A 41 -5.534 4.488 -9.807 1.00 0.00 C ATOM 638 OD1 ASN A 41 -5.471 4.619 -11.036 1.00 0.00 O ATOM 639 ND2 ASN A 41 -4.821 5.230 -8.976 1.00 0.00 N ATOM 0 H ASN A 41 -7.014 4.719 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.243 4.522 -9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.968 3.050 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.554 2.613 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.190 5.942 -9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.903 5.090 -7.969 1.00 0.00 H new ATOM 646 N GLU A 42 -8.786 2.458 -7.207 1.00 0.00 N ATOM 647 CA GLU A 42 -9.636 1.364 -6.727 1.00 0.00 C ATOM 648 C GLU A 42 -9.411 0.094 -7.568 1.00 0.00 C ATOM 649 O GLU A 42 -10.374 -0.554 -8.001 1.00 0.00 O ATOM 650 CB GLU A 42 -11.113 1.802 -6.759 1.00 0.00 C ATOM 651 CG GLU A 42 -11.383 3.111 -6.029 1.00 0.00 C ATOM 652 CD GLU A 42 -12.838 3.562 -6.114 1.00 0.00 C ATOM 653 OE1 GLU A 42 -13.663 3.081 -5.313 1.00 0.00 O ATOM 654 OE2 GLU A 42 -13.151 4.405 -6.986 1.00 0.00 O ATOM 0 H GLU A 42 -8.214 2.891 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.368 1.127 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.429 1.904 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.725 1.017 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.106 2.998 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.744 3.890 -6.446 1.00 0.00 H new ATOM 661 N ARG A 43 -8.144 -0.259 -7.793 1.00 0.00 N ATOM 662 CA ARG A 43 -7.800 -1.407 -8.648 1.00 0.00 C ATOM 663 C ARG A 43 -6.729 -2.316 -7.995 1.00 0.00 C ATOM 664 O ARG A 43 -6.887 -3.539 -7.974 1.00 0.00 O ATOM 665 CB ARG A 43 -7.340 -0.956 -10.031 1.00 0.00 C ATOM 666 CG ARG A 43 -6.171 0.026 -10.011 1.00 0.00 C ATOM 667 CD ARG A 43 -5.819 0.554 -11.399 1.00 0.00 C ATOM 668 NE ARG A 43 -5.261 -0.486 -12.267 1.00 0.00 N ATOM 669 CZ ARG A 43 -5.317 -0.475 -13.604 1.00 0.00 C ATOM 670 NH1 ARG A 43 -5.964 0.509 -14.243 1.00 0.00 N ATOM 671 NH2 ARG A 43 -4.720 -1.431 -14.290 1.00 0.00 N ATOM 0 H ARG A 43 -7.339 0.228 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.711 -1.994 -8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.053 -1.834 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.180 -0.493 -10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.418 0.865 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.298 -0.465 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.713 0.970 -11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.100 1.368 -11.304 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.796 -1.276 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.416 1.252 -13.710 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.005 0.515 -15.262 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.219 -2.173 -13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.759 -1.428 -15.309 1.00 0.00 H new ATOM 685 N LEU A 44 -5.657 -1.713 -7.471 1.00 0.00 N ATOM 686 CA LEU A 44 -4.506 -2.445 -6.917 1.00 0.00 C ATOM 687 C LEU A 44 -3.749 -3.192 -8.029 1.00 0.00 C ATOM 688 O LEU A 44 -4.363 -3.728 -8.954 1.00 0.00 O ATOM 689 CB LEU A 44 -4.953 -3.441 -5.820 1.00 0.00 C ATOM 690 CG LEU A 44 -5.562 -2.803 -4.555 1.00 0.00 C ATOM 691 CD1 LEU A 44 -6.114 -3.888 -3.634 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.536 -1.930 -3.826 1.00 0.00 C ATOM 0 H LEU A 44 -5.560 -0.699 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.836 -1.713 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.685 -4.124 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.092 -4.041 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.384 -2.155 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.542 -3.427 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.886 -4.451 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.309 -4.562 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.995 -1.494 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.683 -2.541 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.199 -1.133 -4.489 1.00 0.00 H new ATOM 812 N MET B 101 4.812 -14.067 10.430 1.00 0.00 N ATOM 813 CA MET B 101 4.071 -12.802 10.217 1.00 0.00 C ATOM 814 C MET B 101 4.204 -11.881 11.424 1.00 0.00 C ATOM 815 O MET B 101 4.223 -12.351 12.562 1.00 0.00 O ATOM 816 CB MET B 101 2.581 -13.085 9.937 1.00 0.00 C ATOM 817 CG MET B 101 1.666 -11.864 10.017 1.00 0.00 C ATOM 818 SD MET B 101 -0.027 -12.232 9.521 1.00 0.00 S ATOM 819 CE MET B 101 0.193 -12.654 7.787 1.00 0.00 C ATOM 0 HA MET B 101 4.506 -12.304 9.350 1.00 0.00 H new ATOM 0 HB2 MET B 101 2.490 -13.524 8.943 1.00 0.00 H new ATOM 0 HB3 MET B 101 2.228 -13.832 10.648 1.00 0.00 H new ATOM 0 HG2 MET B 101 1.666 -11.481 11.037 1.00 0.00 H new ATOM 0 HG3 MET B 101 2.064 -11.074 9.380 1.00 0.00 H new ATOM 0 HE1 MET B 101 -0.670 -12.310 7.216 1.00 0.00 H new ATOM 0 HE2 MET B 101 1.095 -12.173 7.407 1.00 0.00 H new ATOM 0 HE3 MET B 101 0.288 -13.735 7.685 1.00 0.00 H new ATOM 829 N GLY B 102 4.302 -10.592 11.151 1.00 0.00 N ATOM 830 CA GLY B 102 4.388 -9.608 12.206 1.00 0.00 C ATOM 831 C GLY B 102 3.574 -8.378 11.864 1.00 0.00 C ATOM 832 O GLY B 102 3.075 -8.247 10.741 1.00 0.00 O ATOM 0 H GLY B 102 4.324 -10.206 10.207 1.00 0.00 H new ATOM 0 HA2 GLY B 102 4.029 -10.039 13.141 1.00 0.00 H new ATOM 0 HA3 GLY B 102 5.429 -9.328 12.364 1.00 0.00 H new ATOM 836 N SER B 103 3.469 -7.476 12.822 1.00 0.00 N ATOM 837 CA SER B 103 2.703 -6.254 12.645 1.00 0.00 C ATOM 838 C SER B 103 3.622 -5.022 12.662 1.00 0.00 C ATOM 839 O SER B 103 4.609 -4.975 13.391 1.00 0.00 O ATOM 840 CB SER B 103 1.630 -6.135 13.737 1.00 0.00 C ATOM 841 OG SER B 103 2.182 -6.320 15.023 1.00 0.00 O ATOM 0 H SER B 103 3.908 -7.567 13.738 1.00 0.00 H new ATOM 0 HA SER B 103 2.212 -6.298 11.673 1.00 0.00 H new ATOM 0 HB2 SER B 103 1.157 -5.154 13.680 1.00 0.00 H new ATOM 0 HB3 SER B 103 0.849 -6.876 13.564 1.00 0.00 H new ATOM 0 HG SER B 103 1.476 -6.237 15.697 1.00 0.00 H new ATOM 847 N ILE B 104 3.283 -4.050 11.824 1.00 0.00 N ATOM 848 CA ILE B 104 4.024 -2.788 11.742 1.00 0.00 C ATOM 849 C ILE B 104 3.069 -1.627 11.972 1.00 0.00 C ATOM 850 O ILE B 104 1.842 -1.818 11.957 1.00 0.00 O ATOM 851 CB ILE B 104 4.733 -2.629 10.370 1.00 0.00 C ATOM 852 CG1 ILE B 104 3.714 -2.425 9.210 1.00 0.00 C ATOM 853 CG2 ILE B 104 5.605 -3.851 10.101 1.00 0.00 C ATOM 854 CD1 ILE B 104 3.526 -0.977 8.804 1.00 0.00 C ATOM 0 H ILE B 104 2.492 -4.109 11.183 1.00 0.00 H new ATOM 0 HA ILE B 104 4.795 -2.794 12.513 1.00 0.00 H new ATOM 0 HB ILE B 104 5.356 -1.736 10.413 1.00 0.00 H new ATOM 0 HG12 ILE B 104 4.047 -2.995 8.343 1.00 0.00 H new ATOM 0 HG13 ILE B 104 2.750 -2.836 9.510 1.00 0.00 H new ATOM 0 HG21 ILE B 104 6.102 -3.738 9.138 1.00 0.00 H new ATOM 0 HG22 ILE B 104 6.354 -3.944 10.887 1.00 0.00 H new ATOM 0 HG23 ILE B 104 4.983 -4.746 10.086 1.00 0.00 H new ATOM 0 HD11 ILE B 104 2.802 -0.918 7.991 1.00 0.00 H new ATOM 0 HD12 ILE B 104 3.162 -0.404 9.657 1.00 0.00 H new ATOM 0 HD13 ILE B 104 4.479 -0.566 8.471 1.00 0.00 H new ATOM 866 N ASN B 105 3.605 -0.434 12.158 1.00 0.00 N ATOM 867 CA ASN B 105 2.793 0.745 12.416 1.00 0.00 C ATOM 868 C ASN B 105 2.895 1.717 11.241 1.00 0.00 C ATOM 869 O ASN B 105 3.990 2.105 10.839 1.00 0.00 O ATOM 870 CB ASN B 105 3.256 1.438 13.695 1.00 0.00 C ATOM 871 CG ASN B 105 2.356 2.610 14.096 1.00 0.00 C ATOM 872 OD1 ASN B 105 1.431 2.454 14.895 1.00 0.00 O ATOM 873 ND2 ASN B 105 2.625 3.770 13.527 1.00 0.00 N ATOM 0 H ASN B 105 4.609 -0.254 12.135 1.00 0.00 H new ATOM 0 HA ASN B 105 1.756 0.433 12.537 1.00 0.00 H new ATOM 0 HB2 ASN B 105 3.282 0.712 14.507 1.00 0.00 H new ATOM 0 HB3 ASN B 105 4.275 1.799 13.558 1.00 0.00 H new ATOM 0 HD21 ASN B 105 2.055 4.588 13.743 1.00 0.00 H new ATOM 0 HD22 ASN B 105 3.402 3.848 12.871 1.00 0.00 H new ATOM 880 N LEU B 106 1.753 2.074 10.690 1.00 0.00 N ATOM 881 CA LEU B 106 1.693 3.012 9.571 1.00 0.00 C ATOM 882 C LEU B 106 0.950 4.270 10.062 1.00 0.00 C ATOM 883 O LEU B 106 0.041 4.144 10.867 1.00 0.00 O ATOM 884 CB LEU B 106 0.972 2.312 8.402 1.00 0.00 C ATOM 885 CG LEU B 106 0.849 3.088 7.071 1.00 0.00 C ATOM 886 CD1 LEU B 106 -0.320 4.057 7.105 1.00 0.00 C ATOM 887 CD2 LEU B 106 2.150 3.830 6.749 1.00 0.00 C ATOM 0 H LEU B 106 0.843 1.729 10.997 1.00 0.00 H new ATOM 0 HA LEU B 106 2.678 3.315 9.218 1.00 0.00 H new ATOM 0 HB2 LEU B 106 1.492 1.376 8.199 1.00 0.00 H new ATOM 0 HB3 LEU B 106 -0.033 2.053 8.734 1.00 0.00 H new ATOM 0 HG LEU B 106 0.662 2.360 6.281 1.00 0.00 H new ATOM 0 HD11 LEU B 106 -0.380 4.588 6.155 1.00 0.00 H new ATOM 0 HD12 LEU B 106 -1.245 3.505 7.272 1.00 0.00 H new ATOM 0 HD13 LEU B 106 -0.175 4.774 7.913 1.00 0.00 H new ATOM 0 HD21 LEU B 106 2.038 4.368 5.808 1.00 0.00 H new ATOM 0 HD22 LEU B 106 2.373 4.538 7.548 1.00 0.00 H new ATOM 0 HD23 LEU B 106 2.966 3.113 6.662 1.00 0.00 H new ATOM 899 N ARG B 107 1.329 5.460 9.586 1.00 0.00 N ATOM 900 CA ARG B 107 0.750 6.707 10.100 1.00 0.00 C ATOM 901 C ARG B 107 0.487 7.651 8.937 1.00 0.00 C ATOM 902 O ARG B 107 1.415 8.004 8.209 1.00 0.00 O ATOM 903 CB ARG B 107 1.680 7.379 11.122 1.00 0.00 C ATOM 904 CG ARG B 107 1.742 6.630 12.438 1.00 0.00 C ATOM 905 CD ARG B 107 2.423 7.455 13.526 1.00 0.00 C ATOM 906 NE ARG B 107 1.710 8.710 13.786 1.00 0.00 N ATOM 907 CZ ARG B 107 2.254 9.924 13.642 1.00 0.00 C ATOM 908 NH1 ARG B 107 3.466 10.067 13.090 1.00 0.00 N ATOM 909 NH2 ARG B 107 1.575 10.999 14.027 1.00 0.00 N ATOM 0 H ARG B 107 2.027 5.587 8.853 1.00 0.00 H new ATOM 0 HA ARG B 107 -0.185 6.471 10.609 1.00 0.00 H new ATOM 0 HB2 ARG B 107 2.683 7.451 10.702 1.00 0.00 H new ATOM 0 HB3 ARG B 107 1.337 8.398 11.304 1.00 0.00 H new ATOM 0 HG2 ARG B 107 0.733 6.370 12.757 1.00 0.00 H new ATOM 0 HG3 ARG B 107 2.283 5.694 12.299 1.00 0.00 H new ATOM 0 HD2 ARG B 107 2.477 6.871 14.445 1.00 0.00 H new ATOM 0 HD3 ARG B 107 3.448 7.675 13.227 1.00 0.00 H new ATOM 0 HE ARG B 107 0.740 8.654 14.096 1.00 0.00 H new ATOM 0 HH11 ARG B 107 3.983 9.246 12.775 1.00 0.00 H new ATOM 0 HH12 ARG B 107 3.872 10.997 12.985 1.00 0.00 H new ATOM 0 HH21 ARG B 107 0.644 10.897 14.430 1.00 0.00 H new ATOM 0 HH22 ARG B 107 1.985 11.927 13.919 1.00 0.00 H new ATOM 923 N ILE B 108 -0.778 8.036 8.751 1.00 0.00 N ATOM 924 CA ILE B 108 -1.155 8.950 7.680 1.00 0.00 C ATOM 925 C ILE B 108 -2.254 9.891 8.156 1.00 0.00 C ATOM 926 O ILE B 108 -2.805 9.690 9.244 1.00 0.00 O ATOM 927 CB ILE B 108 -1.678 8.224 6.399 1.00 0.00 C ATOM 928 CG1 ILE B 108 -3.046 7.546 6.624 1.00 0.00 C ATOM 929 CG2 ILE B 108 -0.656 7.214 5.896 1.00 0.00 C ATOM 930 CD1 ILE B 108 -3.070 6.513 7.743 1.00 0.00 C ATOM 0 H ILE B 108 -1.557 7.726 9.332 1.00 0.00 H new ATOM 0 HA ILE B 108 -0.245 9.491 7.420 1.00 0.00 H new ATOM 0 HB ILE B 108 -1.822 8.990 5.637 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -3.786 8.316 6.843 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -3.354 7.063 5.696 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -1.041 6.720 5.004 1.00 0.00 H new ATOM 0 HG22 ILE B 108 0.274 7.728 5.654 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -0.469 6.470 6.670 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -4.071 6.091 7.827 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -2.358 5.718 7.520 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -2.797 6.990 8.684 1.00 0.00 H new ATOM 942 N ASP B 109 -2.568 10.902 7.348 1.00 0.00 N ATOM 943 CA ASP B 109 -3.642 11.824 7.692 1.00 0.00 C ATOM 944 C ASP B 109 -4.958 11.054 7.662 1.00 0.00 C ATOM 945 O ASP B 109 -5.218 10.290 6.735 1.00 0.00 O ATOM 946 CB ASP B 109 -3.690 13.010 6.714 1.00 0.00 C ATOM 947 CG ASP B 109 -4.533 14.154 7.267 1.00 0.00 C ATOM 948 OD1 ASP B 109 -5.704 13.934 7.596 1.00 0.00 O ATOM 949 OD2 ASP B 109 -3.989 15.279 7.413 1.00 0.00 O ATOM 0 H ASP B 109 -2.100 11.100 6.463 1.00 0.00 H new ATOM 0 HA ASP B 109 -3.467 12.233 8.687 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -2.678 13.364 6.519 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -4.102 12.680 5.760 1.00 0.00 H new ATOM 954 N ASP B 110 -5.800 11.291 8.676 1.00 0.00 N ATOM 955 CA ASP B 110 -7.034 10.529 8.842 1.00 0.00 C ATOM 956 C ASP B 110 -7.938 10.662 7.636 1.00 0.00 C ATOM 957 O ASP B 110 -8.732 9.761 7.344 1.00 0.00 O ATOM 958 CB ASP B 110 -7.781 10.985 10.106 1.00 0.00 C ATOM 959 CG ASP B 110 -6.906 10.880 11.339 1.00 0.00 C ATOM 960 OD1 ASP B 110 -6.191 11.874 11.642 1.00 0.00 O ATOM 961 OD2 ASP B 110 -6.911 9.834 12.017 1.00 0.00 O ATOM 0 H ASP B 110 -5.646 12.003 9.390 1.00 0.00 H new ATOM 0 HA ASP B 110 -6.758 9.479 8.945 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -8.113 12.016 9.981 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -8.675 10.376 10.241 1.00 0.00 H new ATOM 966 N GLU B 111 -7.828 11.789 6.919 1.00 0.00 N ATOM 967 CA GLU B 111 -8.643 12.022 5.740 1.00 0.00 C ATOM 968 C GLU B 111 -8.322 11.008 4.666 1.00 0.00 C ATOM 969 O GLU B 111 -9.234 10.435 4.050 1.00 0.00 O ATOM 970 CB GLU B 111 -8.393 13.426 5.179 1.00 0.00 C ATOM 971 CG GLU B 111 -8.396 14.532 6.214 1.00 0.00 C ATOM 972 CD GLU B 111 -9.700 14.602 6.997 1.00 0.00 C ATOM 973 OE1 GLU B 111 -10.702 15.107 6.439 1.00 0.00 O ATOM 974 OE2 GLU B 111 -9.739 14.169 8.168 1.00 0.00 O ATOM 0 H GLU B 111 -7.182 12.546 7.142 1.00 0.00 H new ATOM 0 HA GLU B 111 -9.688 11.927 6.035 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -7.432 13.431 4.665 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -9.156 13.645 4.431 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -7.569 14.377 6.907 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -8.223 15.488 5.719 1.00 0.00 H new ATOM 981 N LEU B 112 -7.036 10.724 4.478 1.00 0.00 N ATOM 982 CA LEU B 112 -6.576 9.897 3.370 1.00 0.00 C ATOM 983 C LEU B 112 -6.911 8.440 3.683 1.00 0.00 C ATOM 984 O LEU B 112 -7.330 7.672 2.807 1.00 0.00 O ATOM 985 CB LEU B 112 -5.058 10.062 3.218 1.00 0.00 C ATOM 986 CG LEU B 112 -4.464 9.534 1.917 1.00 0.00 C ATOM 987 CD1 LEU B 112 -5.049 10.277 0.717 1.00 0.00 C ATOM 988 CD2 LEU B 112 -2.936 9.659 1.950 1.00 0.00 C ATOM 0 H LEU B 112 -6.289 11.059 5.086 1.00 0.00 H new ATOM 0 HA LEU B 112 -7.063 10.196 2.442 1.00 0.00 H new ATOM 0 HB2 LEU B 112 -4.816 11.121 3.303 1.00 0.00 H new ATOM 0 HB3 LEU B 112 -4.570 9.555 4.051 1.00 0.00 H new ATOM 0 HG LEU B 112 -4.722 8.480 1.814 1.00 0.00 H new ATOM 0 HD11 LEU B 112 -4.612 9.885 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU B 112 -6.130 10.137 0.694 1.00 0.00 H new ATOM 0 HD13 LEU B 112 -4.823 11.340 0.802 1.00 0.00 H new ATOM 0 HD21 LEU B 112 -2.520 9.280 1.017 1.00 0.00 H new ATOM 0 HD22 LEU B 112 -2.659 10.706 2.072 1.00 0.00 H new ATOM 0 HD23 LEU B 112 -2.542 9.080 2.785 1.00 0.00 H new ATOM 1000 N LYS B 113 -6.713 8.095 4.946 1.00 0.00 N ATOM 1001 CA LYS B 113 -7.083 6.789 5.486 1.00 0.00 C ATOM 1002 C LYS B 113 -8.507 6.435 5.112 1.00 0.00 C ATOM 1003 O LYS B 113 -8.781 5.370 4.570 1.00 0.00 O ATOM 1004 CB LYS B 113 -6.973 6.826 7.023 1.00 0.00 C ATOM 1005 CG LYS B 113 -7.607 5.626 7.719 1.00 0.00 C ATOM 1006 CD LYS B 113 -7.971 5.977 9.159 1.00 0.00 C ATOM 1007 CE LYS B 113 -8.673 4.836 9.861 1.00 0.00 C ATOM 1008 NZ LYS B 113 -9.002 5.197 11.276 1.00 0.00 N ATOM 0 H LYS B 113 -6.288 8.717 5.634 1.00 0.00 H new ATOM 0 HA LYS B 113 -6.409 6.040 5.070 1.00 0.00 H new ATOM 0 HB2 LYS B 113 -5.920 6.880 7.301 1.00 0.00 H new ATOM 0 HB3 LYS B 113 -7.446 7.737 7.389 1.00 0.00 H new ATOM 0 HG2 LYS B 113 -8.500 5.313 7.177 1.00 0.00 H new ATOM 0 HG3 LYS B 113 -6.916 4.783 7.707 1.00 0.00 H new ATOM 0 HD2 LYS B 113 -7.066 6.239 9.708 1.00 0.00 H new ATOM 0 HD3 LYS B 113 -8.614 6.857 9.166 1.00 0.00 H new ATOM 0 HE2 LYS B 113 -9.587 4.582 9.325 1.00 0.00 H new ATOM 0 HE3 LYS B 113 -8.038 3.950 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 113 -9.483 4.397 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 113 -8.126 5.416 11.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 113 -9.626 6.029 11.286 1.00 0.00 H new ATOM 1022 N ALA B 114 -9.433 7.357 5.407 1.00 0.00 N ATOM 1023 CA ALA B 114 -10.855 7.127 5.163 1.00 0.00 C ATOM 1024 C ALA B 114 -11.132 6.718 3.706 1.00 0.00 C ATOM 1025 O ALA B 114 -11.831 5.739 3.456 1.00 0.00 O ATOM 1026 CB ALA B 114 -11.641 8.379 5.569 1.00 0.00 C ATOM 0 H ALA B 114 -9.219 8.267 5.815 1.00 0.00 H new ATOM 0 HA ALA B 114 -11.188 6.288 5.774 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -12.704 8.215 5.390 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -11.479 8.583 6.627 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -11.300 9.230 4.979 1.00 0.00 H new ATOM 1032 N ARG B 115 -10.585 7.497 2.748 1.00 0.00 N ATOM 1033 CA ARG B 115 -10.826 7.240 1.323 1.00 0.00 C ATOM 1034 C ARG B 115 -10.256 5.875 0.921 1.00 0.00 C ATOM 1035 O ARG B 115 -10.954 5.065 0.291 1.00 0.00 O ATOM 1036 CB ARG B 115 -10.206 8.337 0.437 1.00 0.00 C ATOM 1037 CG ARG B 115 -10.984 9.648 0.401 1.00 0.00 C ATOM 1038 CD ARG B 115 -11.039 10.335 1.770 1.00 0.00 C ATOM 1039 NE ARG B 115 -11.603 11.676 1.695 1.00 0.00 N ATOM 1040 CZ ARG B 115 -11.746 12.474 2.747 1.00 0.00 C ATOM 1041 NH1 ARG B 115 -11.360 12.074 3.961 1.00 0.00 N ATOM 1042 NH2 ARG B 115 -12.269 13.686 2.602 1.00 0.00 N ATOM 0 H ARG B 115 -9.982 8.298 2.938 1.00 0.00 H new ATOM 0 HA ARG B 115 -11.905 7.244 1.170 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -9.195 8.541 0.790 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -10.118 7.956 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -10.522 10.321 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -11.999 9.455 0.054 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -11.635 9.730 2.453 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -10.033 10.389 2.187 1.00 0.00 H new ATOM 0 HE ARG B 115 -11.905 12.021 0.784 1.00 0.00 H new ATOM 0 HH11 ARG B 115 -10.951 11.148 4.087 1.00 0.00 H new ATOM 0 HH12 ARG B 115 -11.474 12.694 4.763 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -12.563 14.008 1.680 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -12.377 14.295 3.413 1.00 0.00 H new ATOM 1056 N SER B 116 -8.993 5.636 1.258 1.00 0.00 N ATOM 1057 CA SER B 116 -8.307 4.411 0.866 1.00 0.00 C ATOM 1058 C SER B 116 -9.053 3.188 1.378 1.00 0.00 C ATOM 1059 O SER B 116 -9.452 2.311 0.605 1.00 0.00 O ATOM 1060 CB SER B 116 -6.877 4.438 1.397 1.00 0.00 C ATOM 1061 OG SER B 116 -6.848 4.851 2.746 1.00 0.00 O ATOM 0 H SER B 116 -8.421 6.279 1.805 1.00 0.00 H new ATOM 0 HA SER B 116 -8.280 4.349 -0.222 1.00 0.00 H new ATOM 0 HB2 SER B 116 -6.433 3.447 1.306 1.00 0.00 H new ATOM 0 HB3 SER B 116 -6.273 5.115 0.792 1.00 0.00 H new ATOM 0 HG SER B 116 -6.865 5.830 2.789 1.00 0.00 H new ATOM 1067 N TYR B 117 -9.251 3.144 2.691 1.00 0.00 N ATOM 1068 CA TYR B 117 -9.934 2.023 3.345 1.00 0.00 C ATOM 1069 C TYR B 117 -11.327 1.806 2.748 1.00 0.00 C ATOM 1070 O TYR B 117 -11.788 0.673 2.637 1.00 0.00 O ATOM 1071 CB TYR B 117 -10.013 2.272 4.852 1.00 0.00 C ATOM 1072 CG TYR B 117 -8.734 1.921 5.593 1.00 0.00 C ATOM 1073 CD1 TYR B 117 -7.550 2.615 5.354 1.00 0.00 C ATOM 1074 CD2 TYR B 117 -8.707 0.882 6.513 1.00 0.00 C ATOM 1075 CE1 TYR B 117 -6.383 2.277 6.011 1.00 0.00 C ATOM 1076 CE2 TYR B 117 -7.543 0.542 7.164 1.00 0.00 C ATOM 1077 CZ TYR B 117 -6.380 1.239 6.906 1.00 0.00 C ATOM 1078 OH TYR B 117 -5.223 0.883 7.550 1.00 0.00 O ATOM 0 H TYR B 117 -8.947 3.877 3.332 1.00 0.00 H new ATOM 0 HA TYR B 117 -9.360 1.113 3.172 1.00 0.00 H new ATOM 0 HB2 TYR B 117 -10.248 3.322 5.027 1.00 0.00 H new ATOM 0 HB3 TYR B 117 -10.835 1.688 5.266 1.00 0.00 H new ATOM 0 HD1 TYR B 117 -7.544 3.429 4.645 1.00 0.00 H new ATOM 0 HD2 TYR B 117 -9.613 0.332 6.721 1.00 0.00 H new ATOM 0 HE1 TYR B 117 -5.475 2.829 5.820 1.00 0.00 H new ATOM 0 HE2 TYR B 117 -7.540 -0.270 7.876 1.00 0.00 H new ATOM 0 HH TYR B 117 -5.401 0.128 8.149 1.00 0.00 H new ATOM 1088 N ALA B 118 -12.003 2.893 2.379 1.00 0.00 N ATOM 1089 CA ALA B 118 -13.331 2.807 1.757 1.00 0.00 C ATOM 1090 C ALA B 118 -13.237 2.132 0.397 1.00 0.00 C ATOM 1091 O ALA B 118 -14.053 1.262 0.078 1.00 0.00 O ATOM 1092 CB ALA B 118 -13.952 4.184 1.624 1.00 0.00 C ATOM 0 H ALA B 118 -11.656 3.845 2.498 1.00 0.00 H new ATOM 0 HA ALA B 118 -13.972 2.204 2.400 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -14.935 4.097 1.161 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -14.055 4.634 2.612 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -13.313 4.813 1.004 1.00 0.00 H new ATOM 1098 N ALA B 119 -12.244 2.532 -0.385 1.00 0.00 N ATOM 1099 CA ALA B 119 -12.050 1.998 -1.719 1.00 0.00 C ATOM 1100 C ALA B 119 -11.802 0.494 -1.705 1.00 0.00 C ATOM 1101 O ALA B 119 -12.411 -0.258 -2.467 1.00 0.00 O ATOM 1102 CB ALA B 119 -10.889 2.705 -2.399 1.00 0.00 C ATOM 0 H ALA B 119 -11.555 3.233 -0.111 1.00 0.00 H new ATOM 0 HA ALA B 119 -12.969 2.176 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.751 2.297 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -11.103 3.772 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.980 2.554 -1.817 1.00 0.00 H new ATOM 1108 N LEU B 120 -10.914 0.045 -0.822 1.00 0.00 N ATOM 1109 CA LEU B 120 -10.509 -1.362 -0.787 1.00 0.00 C ATOM 1110 C LEU B 120 -11.636 -2.238 -0.220 1.00 0.00 C ATOM 1111 O LEU B 120 -11.838 -3.365 -0.697 1.00 0.00 O ATOM 1112 CB LEU B 120 -9.185 -1.523 -0.010 1.00 0.00 C ATOM 1113 CG LEU B 120 -9.158 -1.049 1.455 1.00 0.00 C ATOM 1114 CD1 LEU B 120 -9.697 -2.112 2.401 1.00 0.00 C ATOM 1115 CD2 LEU B 120 -7.736 -0.646 1.844 1.00 0.00 C ATOM 0 H LEU B 120 -10.461 0.632 -0.122 1.00 0.00 H new ATOM 0 HA LEU B 120 -10.326 -1.705 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -8.911 -2.578 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -8.409 -0.983 -0.553 1.00 0.00 H new ATOM 0 HG LEU B 120 -9.811 -0.181 1.543 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -9.661 -1.740 3.425 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -10.728 -2.346 2.136 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -9.088 -3.013 2.321 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -7.723 -0.312 2.881 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -7.071 -1.502 1.731 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -7.398 0.164 1.198 1.00 0.00 H new ATOM 1127 N GLU B 121 -12.380 -1.748 0.771 1.00 0.00 N ATOM 1128 CA GLU B 121 -13.497 -2.503 1.326 1.00 0.00 C ATOM 1129 C GLU B 121 -14.642 -2.564 0.320 1.00 0.00 C ATOM 1130 O GLU B 121 -15.474 -3.484 0.343 1.00 0.00 O ATOM 1131 CB GLU B 121 -13.973 -1.891 2.663 1.00 0.00 C ATOM 1132 CG GLU B 121 -14.565 -0.479 2.558 1.00 0.00 C ATOM 1133 CD GLU B 121 -16.069 -0.442 2.781 1.00 0.00 C ATOM 1134 OE1 GLU B 121 -16.508 -0.325 3.947 1.00 0.00 O ATOM 1135 OE2 GLU B 121 -16.827 -0.530 1.782 1.00 0.00 O ATOM 0 H GLU B 121 -12.229 -0.836 1.203 1.00 0.00 H new ATOM 0 HA GLU B 121 -13.157 -3.518 1.529 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -14.722 -2.551 3.100 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -13.130 -1.864 3.353 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -14.080 0.167 3.290 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -14.340 -0.070 1.573 1.00 0.00 H new ATOM 1142 N LYS B 122 -14.672 -1.576 -0.576 1.00 0.00 N ATOM 1143 CA LYS B 122 -15.625 -1.545 -1.671 1.00 0.00 C ATOM 1144 C LYS B 122 -15.302 -2.671 -2.656 1.00 0.00 C ATOM 1145 O LYS B 122 -16.150 -3.488 -3.000 1.00 0.00 O ATOM 1146 CB LYS B 122 -15.563 -0.183 -2.388 1.00 0.00 C ATOM 1147 CG LYS B 122 -16.343 0.930 -1.701 1.00 0.00 C ATOM 1148 CD LYS B 122 -17.866 0.699 -1.785 1.00 0.00 C ATOM 1149 CE LYS B 122 -18.344 0.652 -3.242 1.00 0.00 C ATOM 1150 NZ LYS B 122 -19.786 0.313 -3.333 1.00 0.00 N ATOM 0 H LYS B 122 -14.035 -0.779 -0.558 1.00 0.00 H new ATOM 0 HA LYS B 122 -16.632 -1.686 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -14.520 0.121 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -15.944 -0.303 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -16.042 0.993 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -16.094 1.886 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -18.122 -0.236 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -18.387 1.497 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -18.166 1.618 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -17.761 -0.086 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -20.075 0.290 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -19.951 -0.620 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -20.344 1.031 -2.828 1.00 0.00 H new ATOM 1164 N MET B 123 -14.049 -2.686 -3.082 1.00 0.00 N ATOM 1165 CA MET B 123 -13.524 -3.694 -3.997 1.00 0.00 C ATOM 1166 C MET B 123 -13.712 -5.089 -3.423 1.00 0.00 C ATOM 1167 O MET B 123 -13.924 -6.074 -4.136 1.00 0.00 O ATOM 1168 CB MET B 123 -12.024 -3.440 -4.259 1.00 0.00 C ATOM 1169 CG MET B 123 -11.734 -2.125 -4.943 1.00 0.00 C ATOM 1170 SD MET B 123 -9.987 -1.666 -4.845 1.00 0.00 S ATOM 1171 CE MET B 123 -9.238 -3.146 -5.499 1.00 0.00 C ATOM 0 H MET B 123 -13.357 -1.991 -2.800 1.00 0.00 H new ATOM 0 HA MET B 123 -14.073 -3.624 -4.936 1.00 0.00 H new ATOM 0 HB2 MET B 123 -11.490 -3.469 -3.309 1.00 0.00 H new ATOM 0 HB3 MET B 123 -11.630 -4.251 -4.872 1.00 0.00 H new ATOM 0 HG2 MET B 123 -12.031 -2.190 -5.990 1.00 0.00 H new ATOM 0 HG3 MET B 123 -12.339 -1.341 -4.488 1.00 0.00 H new ATOM 0 HE1 MET B 123 -8.185 -2.959 -5.709 1.00 0.00 H new ATOM 0 HE2 MET B 123 -9.325 -3.951 -4.769 1.00 0.00 H new ATOM 0 HE3 MET B 123 -9.745 -3.434 -6.420 1.00 0.00 H new ATOM 1181 N GLY B 124 -13.615 -5.195 -2.084 1.00 0.00 N ATOM 1182 CA GLY B 124 -13.730 -6.470 -1.407 1.00 0.00 C ATOM 1183 C GLY B 124 -12.375 -7.006 -0.969 1.00 0.00 C ATOM 1184 O GLY B 124 -12.235 -8.192 -0.693 1.00 0.00 O ATOM 0 H GLY B 124 -13.457 -4.402 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -14.376 -6.361 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -14.208 -7.191 -2.070 1.00 0.00 H new ATOM 1188 N VAL B 125 -11.378 -6.124 -0.922 1.00 0.00 N ATOM 1189 CA VAL B 125 -10.037 -6.482 -0.491 1.00 0.00 C ATOM 1190 C VAL B 125 -9.794 -6.047 0.953 1.00 0.00 C ATOM 1191 O VAL B 125 -9.989 -4.882 1.295 1.00 0.00 O ATOM 1192 CB VAL B 125 -8.970 -5.814 -1.398 1.00 0.00 C ATOM 1193 CG1 VAL B 125 -7.574 -6.333 -1.064 1.00 0.00 C ATOM 1194 CG2 VAL B 125 -9.300 -6.007 -2.879 1.00 0.00 C ATOM 0 H VAL B 125 -11.482 -5.143 -1.182 1.00 0.00 H new ATOM 0 HA VAL B 125 -9.951 -7.566 -0.563 1.00 0.00 H new ATOM 0 HB VAL B 125 -8.983 -4.742 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -6.842 -5.851 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL B 125 -7.341 -6.108 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL B 125 -7.540 -7.412 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -8.534 -5.528 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL B 125 -9.332 -7.072 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL B 125 -10.270 -5.559 -3.097 1.00 0.00 H new ATOM 1204 N THR B 126 -9.390 -6.989 1.791 1.00 0.00 N ATOM 1205 CA THR B 126 -9.049 -6.696 3.176 1.00 0.00 C ATOM 1206 C THR B 126 -7.917 -5.659 3.264 1.00 0.00 C ATOM 1207 O THR B 126 -6.926 -5.765 2.532 1.00 0.00 O ATOM 1208 CB THR B 126 -8.625 -7.999 3.881 1.00 0.00 C ATOM 1209 OG1 THR B 126 -9.590 -9.042 3.634 1.00 0.00 O ATOM 1210 CG2 THR B 126 -8.457 -7.787 5.370 1.00 0.00 C ATOM 0 H THR B 126 -9.289 -7.971 1.534 1.00 0.00 H new ATOM 0 HA THR B 126 -9.926 -6.276 3.668 1.00 0.00 H new ATOM 0 HB THR B 126 -7.662 -8.302 3.471 1.00 0.00 H new ATOM 0 HG1 THR B 126 -9.307 -9.864 4.086 1.00 0.00 H new ATOM 0 HG21 THR B 126 -8.158 -8.724 5.839 1.00 0.00 H new ATOM 0 HG22 THR B 126 -7.691 -7.032 5.546 1.00 0.00 H new ATOM 0 HG23 THR B 126 -9.402 -7.452 5.799 1.00 0.00 H new ATOM 1218 N PRO B 127 -8.020 -4.638 4.159 1.00 0.00 N ATOM 1219 CA PRO B 127 -7.028 -3.578 4.299 1.00 0.00 C ATOM 1220 C PRO B 127 -5.589 -4.137 4.402 1.00 0.00 C ATOM 1221 O PRO B 127 -4.709 -3.748 3.623 1.00 0.00 O ATOM 1222 CB PRO B 127 -7.428 -2.846 5.601 1.00 0.00 C ATOM 1223 CG PRO B 127 -8.514 -3.673 6.219 1.00 0.00 C ATOM 1224 CD PRO B 127 -9.148 -4.438 5.094 1.00 0.00 C ATOM 0 HA PRO B 127 -7.019 -2.920 3.430 1.00 0.00 H new ATOM 0 HB2 PRO B 127 -6.576 -2.753 6.275 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -7.778 -1.836 5.389 1.00 0.00 H new ATOM 0 HG2 PRO B 127 -8.108 -4.350 6.970 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -9.246 -3.041 6.722 1.00 0.00 H new ATOM 0 HD2 PRO B 127 -9.565 -5.386 5.434 1.00 0.00 H new ATOM 0 HD3 PRO B 127 -9.962 -3.879 4.633 1.00 0.00 H new ATOM 1232 N SER B 128 -5.402 -5.056 5.331 1.00 0.00 N ATOM 1233 CA SER B 128 -4.080 -5.669 5.548 1.00 0.00 C ATOM 1234 C SER B 128 -3.570 -6.347 4.275 1.00 0.00 C ATOM 1235 O SER B 128 -2.356 -6.471 4.072 1.00 0.00 O ATOM 1236 CB SER B 128 -4.177 -6.686 6.699 1.00 0.00 C ATOM 1237 OG SER B 128 -4.791 -6.099 7.832 1.00 0.00 O ATOM 0 H SER B 128 -6.136 -5.401 5.950 1.00 0.00 H new ATOM 0 HA SER B 128 -3.367 -4.887 5.811 1.00 0.00 H new ATOM 0 HB2 SER B 128 -4.751 -7.555 6.377 1.00 0.00 H new ATOM 0 HB3 SER B 128 -3.181 -7.042 6.962 1.00 0.00 H new ATOM 0 HG SER B 128 -4.846 -6.760 8.553 1.00 0.00 H new ATOM 1243 N GLU B 129 -4.480 -6.769 3.404 1.00 0.00 N ATOM 1244 CA GLU B 129 -4.140 -7.452 2.175 1.00 0.00 C ATOM 1245 C GLU B 129 -3.711 -6.460 1.096 1.00 0.00 C ATOM 1246 O GLU B 129 -2.733 -6.699 0.399 1.00 0.00 O ATOM 1247 CB GLU B 129 -5.340 -8.286 1.686 1.00 0.00 C ATOM 1248 CG GLU B 129 -5.757 -9.391 2.648 1.00 0.00 C ATOM 1249 CD GLU B 129 -4.851 -10.623 2.629 1.00 0.00 C ATOM 1250 OE1 GLU B 129 -3.641 -10.508 2.915 1.00 0.00 O ATOM 1251 OE2 GLU B 129 -5.351 -11.728 2.350 1.00 0.00 O ATOM 0 H GLU B 129 -5.483 -6.642 3.539 1.00 0.00 H new ATOM 0 HA GLU B 129 -3.300 -8.117 2.375 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -6.188 -7.622 1.521 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -5.092 -8.731 0.722 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -5.777 -8.986 3.660 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -6.774 -9.700 2.408 1.00 0.00 H new ATOM 1258 N ALA B 130 -4.435 -5.348 0.958 1.00 0.00 N ATOM 1259 CA ALA B 130 -4.076 -4.294 -0.005 1.00 0.00 C ATOM 1260 C ALA B 130 -2.666 -3.764 0.272 1.00 0.00 C ATOM 1261 O ALA B 130 -1.902 -3.480 -0.662 1.00 0.00 O ATOM 1262 CB ALA B 130 -5.096 -3.162 0.020 1.00 0.00 C ATOM 0 H ALA B 130 -5.276 -5.150 1.500 1.00 0.00 H new ATOM 0 HA ALA B 130 -4.085 -4.731 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA B 130 -4.808 -2.396 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA B 130 -6.080 -3.553 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA B 130 -5.131 -2.726 1.018 1.00 0.00 H new ATOM 1268 N LEU B 131 -2.325 -3.631 1.543 1.00 0.00 N ATOM 1269 CA LEU B 131 -0.982 -3.192 1.919 1.00 0.00 C ATOM 1270 C LEU B 131 0.024 -4.324 1.721 1.00 0.00 C ATOM 1271 O LEU B 131 1.194 -4.079 1.411 1.00 0.00 O ATOM 1272 CB LEU B 131 -0.972 -2.701 3.383 1.00 0.00 C ATOM 1273 CG LEU B 131 -1.854 -1.477 3.687 1.00 0.00 C ATOM 1274 CD1 LEU B 131 -1.819 -1.132 5.169 1.00 0.00 C ATOM 1275 CD2 LEU B 131 -1.423 -0.282 2.840 1.00 0.00 C ATOM 0 H LEU B 131 -2.949 -3.817 2.328 1.00 0.00 H new ATOM 0 HA LEU B 131 -0.691 -2.362 1.275 1.00 0.00 H new ATOM 0 HB2 LEU B 131 -1.291 -3.523 4.024 1.00 0.00 H new ATOM 0 HB3 LEU B 131 0.055 -2.462 3.659 1.00 0.00 H new ATOM 0 HG LEU B 131 -2.883 -1.728 3.428 1.00 0.00 H new ATOM 0 HD11 LEU B 131 -2.451 -0.264 5.355 1.00 0.00 H new ATOM 0 HD12 LEU B 131 -2.186 -1.979 5.749 1.00 0.00 H new ATOM 0 HD13 LEU B 131 -0.795 -0.906 5.466 1.00 0.00 H new ATOM 0 HD21 LEU B 131 -2.058 0.574 3.069 1.00 0.00 H new ATOM 0 HD22 LEU B 131 -0.385 -0.034 3.063 1.00 0.00 H new ATOM 0 HD23 LEU B 131 -1.518 -0.532 1.783 1.00 0.00 H new ATOM 1287 N ARG B 132 -0.441 -5.561 1.887 1.00 0.00 N ATOM 1288 CA ARG B 132 0.392 -6.745 1.726 1.00 0.00 C ATOM 1289 C ARG B 132 0.920 -6.835 0.285 1.00 0.00 C ATOM 1290 O ARG B 132 2.121 -6.988 0.039 1.00 0.00 O ATOM 1291 CB ARG B 132 -0.389 -8.015 2.113 1.00 0.00 C ATOM 1292 CG ARG B 132 0.428 -9.304 2.176 1.00 0.00 C ATOM 1293 CD ARG B 132 0.608 -9.956 0.797 1.00 0.00 C ATOM 1294 NE ARG B 132 1.398 -11.174 0.896 1.00 0.00 N ATOM 1295 CZ ARG B 132 1.580 -12.039 -0.120 1.00 0.00 C ATOM 1296 NH1 ARG B 132 0.955 -11.840 -1.264 1.00 0.00 N ATOM 1297 NH2 ARG B 132 2.372 -13.068 0.034 1.00 0.00 N ATOM 0 H ARG B 132 -1.408 -5.768 2.137 1.00 0.00 H new ATOM 0 HA ARG B 132 1.248 -6.663 2.396 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -0.851 -7.852 3.087 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -1.198 -8.154 1.396 1.00 0.00 H new ATOM 0 HG2 ARG B 132 1.408 -9.089 2.603 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -0.064 -10.009 2.846 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -0.368 -10.185 0.369 1.00 0.00 H new ATOM 0 HD3 ARG B 132 1.097 -9.255 0.120 1.00 0.00 H new ATOM 0 HE ARG B 132 1.841 -11.386 1.790 1.00 0.00 H new ATOM 0 HH11 ARG B 132 0.338 -11.035 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG B 132 1.088 -12.491 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG B 132 2.851 -13.215 0.923 1.00 0.00 H new ATOM 0 HH22 ARG B 132 2.511 -13.724 -0.734 1.00 0.00 H new ATOM 1311 N LEU B 133 0.004 -6.721 -0.675 1.00 0.00 N ATOM 1312 CA LEU B 133 0.371 -6.779 -2.094 1.00 0.00 C ATOM 1313 C LEU B 133 1.147 -5.521 -2.508 1.00 0.00 C ATOM 1314 O LEU B 133 1.881 -5.527 -3.500 1.00 0.00 O ATOM 1315 CB LEU B 133 -0.859 -6.958 -2.973 1.00 0.00 C ATOM 1316 CG LEU B 133 -1.935 -5.879 -2.802 1.00 0.00 C ATOM 1317 CD1 LEU B 133 -1.846 -4.829 -3.925 1.00 0.00 C ATOM 1318 CD2 LEU B 133 -3.293 -6.523 -2.760 1.00 0.00 C ATOM 0 H LEU B 133 -0.992 -6.589 -0.501 1.00 0.00 H new ATOM 0 HA LEU B 133 1.017 -7.646 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.543 -6.974 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -1.303 -7.930 -2.759 1.00 0.00 H new ATOM 0 HG LEU B 133 -1.768 -5.357 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU B 133 -2.620 -4.075 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU B 133 -0.866 -4.352 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU B 133 -1.989 -5.315 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU B 133 -4.056 -5.755 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU B 133 -3.468 -7.064 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU B 133 -3.341 -7.218 -1.921 1.00 0.00 H new ATOM 1330 N MET B 134 0.974 -4.453 -1.738 1.00 0.00 N ATOM 1331 CA MET B 134 1.769 -3.237 -1.937 1.00 0.00 C ATOM 1332 C MET B 134 3.236 -3.541 -1.643 1.00 0.00 C ATOM 1333 O MET B 134 4.112 -3.182 -2.436 1.00 0.00 O ATOM 1334 CB MET B 134 1.269 -2.079 -1.067 1.00 0.00 C ATOM 1335 CG MET B 134 2.261 -0.919 -0.915 1.00 0.00 C ATOM 1336 SD MET B 134 3.658 -1.313 0.170 1.00 0.00 S ATOM 1337 CE MET B 134 4.655 0.162 0.023 1.00 0.00 C ATOM 0 H MET B 134 0.298 -4.399 -0.976 1.00 0.00 H new ATOM 0 HA MET B 134 1.662 -2.921 -2.975 1.00 0.00 H new ATOM 0 HB2 MET B 134 0.343 -1.694 -1.495 1.00 0.00 H new ATOM 0 HB3 MET B 134 1.027 -2.464 -0.077 1.00 0.00 H new ATOM 0 HG2 MET B 134 2.640 -0.642 -1.899 1.00 0.00 H new ATOM 0 HG3 MET B 134 1.736 -0.050 -0.519 1.00 0.00 H new ATOM 0 HE1 MET B 134 5.549 0.060 0.638 1.00 0.00 H new ATOM 0 HE2 MET B 134 4.945 0.303 -1.018 1.00 0.00 H new ATOM 0 HE3 MET B 134 4.080 1.025 0.359 1.00 0.00 H new ATOM 1347 N LEU B 135 3.482 -4.229 -0.546 1.00 0.00 N ATOM 1348 CA LEU B 135 4.842 -4.555 -0.137 1.00 0.00 C ATOM 1349 C LEU B 135 5.511 -5.418 -1.191 1.00 0.00 C ATOM 1350 O LEU B 135 6.717 -5.382 -1.362 1.00 0.00 O ATOM 1351 CB LEU B 135 4.834 -5.264 1.226 1.00 0.00 C ATOM 1352 CG LEU B 135 4.250 -4.465 2.395 1.00 0.00 C ATOM 1353 CD1 LEU B 135 4.327 -5.265 3.696 1.00 0.00 C ATOM 1354 CD2 LEU B 135 4.946 -3.116 2.554 1.00 0.00 C ATOM 0 H LEU B 135 2.758 -4.576 0.083 1.00 0.00 H new ATOM 0 HA LEU B 135 5.412 -3.631 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU B 135 4.270 -6.191 1.128 1.00 0.00 H new ATOM 0 HB3 LEU B 135 5.859 -5.540 1.476 1.00 0.00 H new ATOM 0 HG LEU B 135 3.201 -4.275 2.168 1.00 0.00 H new ATOM 0 HD11 LEU B 135 3.906 -4.676 4.511 1.00 0.00 H new ATOM 0 HD12 LEU B 135 3.762 -6.191 3.588 1.00 0.00 H new ATOM 0 HD13 LEU B 135 5.368 -5.499 3.918 1.00 0.00 H new ATOM 0 HD21 LEU B 135 4.506 -2.576 3.393 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.008 -3.274 2.741 1.00 0.00 H new ATOM 0 HD23 LEU B 135 4.822 -2.533 1.642 1.00 0.00 H new ATOM 1366 N GLU B 136 4.696 -6.177 -1.912 1.00 0.00 N ATOM 1367 CA GLU B 136 5.189 -6.990 -3.002 1.00 0.00 C ATOM 1368 C GLU B 136 5.687 -6.115 -4.160 1.00 0.00 C ATOM 1369 O GLU B 136 6.822 -6.297 -4.620 1.00 0.00 O ATOM 1370 CB GLU B 136 4.108 -7.953 -3.492 1.00 0.00 C ATOM 1371 CG GLU B 136 3.462 -8.768 -2.377 1.00 0.00 C ATOM 1372 CD GLU B 136 2.749 -10.007 -2.898 1.00 0.00 C ATOM 1373 OE1 GLU B 136 3.400 -11.062 -3.023 1.00 0.00 O ATOM 1374 OE2 GLU B 136 1.533 -9.920 -3.195 1.00 0.00 O ATOM 0 H GLU B 136 3.690 -6.243 -1.757 1.00 0.00 H new ATOM 0 HA GLU B 136 6.030 -7.574 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 136 3.335 -7.385 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU B 136 4.545 -8.635 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU B 136 4.227 -9.067 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU B 136 2.750 -8.142 -1.840 1.00 0.00 H new ATOM 1381 N TYR B 137 4.883 -5.154 -4.625 1.00 0.00 N ATOM 1382 CA TYR B 137 5.229 -4.394 -5.814 1.00 0.00 C ATOM 1383 C TYR B 137 6.440 -3.490 -5.585 1.00 0.00 C ATOM 1384 O TYR B 137 7.205 -3.232 -6.507 1.00 0.00 O ATOM 1385 CB TYR B 137 4.029 -3.575 -6.356 1.00 0.00 C ATOM 1386 CG TYR B 137 3.783 -2.216 -5.698 1.00 0.00 C ATOM 1387 CD1 TYR B 137 4.666 -1.141 -5.907 1.00 0.00 C ATOM 1388 CD2 TYR B 137 2.672 -1.987 -4.880 1.00 0.00 C ATOM 1389 CE1 TYR B 137 4.455 0.078 -5.321 1.00 0.00 C ATOM 1390 CE2 TYR B 137 2.454 -0.758 -4.301 1.00 0.00 C ATOM 1391 CZ TYR B 137 3.348 0.267 -4.514 1.00 0.00 C ATOM 1392 OH TYR B 137 3.132 1.509 -3.938 1.00 0.00 O ATOM 0 H TYR B 137 3.996 -4.891 -4.195 1.00 0.00 H new ATOM 0 HA TYR B 137 5.499 -5.127 -6.574 1.00 0.00 H new ATOM 0 HB2 TYR B 137 4.178 -3.416 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR B 137 3.127 -4.177 -6.246 1.00 0.00 H new ATOM 0 HD1 TYR B 137 5.528 -1.280 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR B 137 1.972 -2.790 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR B 137 5.150 0.888 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR B 137 1.584 -0.598 -3.681 1.00 0.00 H new ATOM 0 HH TYR B 137 2.313 1.482 -3.400 1.00 0.00 H new ATOM 1402 N ILE B 138 6.590 -2.967 -4.362 1.00 0.00 N ATOM 1403 CA ILE B 138 7.735 -2.090 -4.045 1.00 0.00 C ATOM 1404 C ILE B 138 9.032 -2.901 -4.009 1.00 0.00 C ATOM 1405 O ILE B 138 10.056 -2.470 -4.531 1.00 0.00 O ATOM 1406 CB ILE B 138 7.542 -1.332 -2.699 1.00 0.00 C ATOM 1407 CG1 ILE B 138 8.866 -0.720 -2.192 1.00 0.00 C ATOM 1408 CG2 ILE B 138 6.944 -2.238 -1.647 1.00 0.00 C ATOM 1409 CD1 ILE B 138 9.448 0.359 -3.083 1.00 0.00 C ATOM 0 H ILE B 138 5.949 -3.129 -3.585 1.00 0.00 H new ATOM 0 HA ILE B 138 7.796 -1.342 -4.836 1.00 0.00 H new ATOM 0 HB ILE B 138 6.847 -0.514 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE B 138 8.700 -0.302 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE B 138 9.601 -1.518 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE B 138 6.820 -1.683 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE B 138 5.973 -2.599 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE B 138 7.607 -3.086 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE B 138 10.376 0.729 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE B 138 9.651 -0.055 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE B 138 8.736 1.180 -3.173 1.00 0.00 H new ATOM 1421 N ALA B 139 8.980 -4.090 -3.428 1.00 0.00 N ATOM 1422 CA ALA B 139 10.150 -4.949 -3.326 1.00 0.00 C ATOM 1423 C ALA B 139 10.641 -5.365 -4.708 1.00 0.00 C ATOM 1424 O ALA B 139 11.854 -5.452 -4.964 1.00 0.00 O ATOM 1425 CB ALA B 139 9.839 -6.173 -2.487 1.00 0.00 C ATOM 0 H ALA B 139 8.134 -4.484 -3.017 1.00 0.00 H new ATOM 0 HA ALA B 139 10.943 -4.383 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA B 139 10.725 -6.804 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA B 139 9.540 -5.862 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA B 139 9.027 -6.734 -2.950 1.00 0.00 H new ATOM 1431 N ASP B 140 9.698 -5.620 -5.611 1.00 0.00 N ATOM 1432 CA ASP B 140 10.007 -6.116 -6.953 1.00 0.00 C ATOM 1433 C ASP B 140 10.412 -4.982 -7.908 1.00 0.00 C ATOM 1434 O ASP B 140 11.398 -5.092 -8.643 1.00 0.00 O ATOM 1435 CB ASP B 140 8.781 -6.849 -7.530 1.00 0.00 C ATOM 1436 CG ASP B 140 9.006 -7.408 -8.918 1.00 0.00 C ATOM 1437 OD1 ASP B 140 9.492 -8.549 -9.033 1.00 0.00 O ATOM 1438 OD2 ASP B 140 8.657 -6.718 -9.894 1.00 0.00 O ATOM 0 H ASP B 140 8.702 -5.490 -5.436 1.00 0.00 H new ATOM 0 HA ASP B 140 10.852 -6.799 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP B 140 8.507 -7.664 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP B 140 7.936 -6.161 -7.557 1.00 0.00 H new ATOM 1443 N ASN B 141 9.661 -3.882 -7.860 1.00 0.00 N ATOM 1444 CA ASN B 141 9.817 -2.793 -8.834 1.00 0.00 C ATOM 1445 C ASN B 141 10.745 -1.694 -8.320 1.00 0.00 C ATOM 1446 O ASN B 141 11.458 -1.070 -9.102 1.00 0.00 O ATOM 1447 CB ASN B 141 8.445 -2.197 -9.184 1.00 0.00 C ATOM 1448 CG ASN B 141 7.558 -3.164 -9.955 1.00 0.00 C ATOM 1449 OD1 ASN B 141 7.544 -3.171 -11.182 1.00 0.00 O ATOM 1450 ND2 ASN B 141 6.808 -3.980 -9.242 1.00 0.00 N ATOM 0 H ASN B 141 8.938 -3.718 -7.159 1.00 0.00 H new ATOM 0 HA ASN B 141 10.271 -3.218 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN B 141 7.938 -1.901 -8.266 1.00 0.00 H new ATOM 0 HB3 ASN B 141 8.588 -1.293 -9.775 1.00 0.00 H new ATOM 0 HD21 ASN B 141 6.191 -4.644 -9.709 1.00 0.00 H new ATOM 0 HD22 ASN B 141 6.845 -3.947 -8.223 1.00 0.00 H new ATOM 1457 N GLU B 142 10.735 -1.464 -7.005 1.00 0.00 N ATOM 1458 CA GLU B 142 11.561 -0.413 -6.378 1.00 0.00 C ATOM 1459 C GLU B 142 11.355 0.941 -7.064 1.00 0.00 C ATOM 1460 O GLU B 142 12.322 1.691 -7.251 1.00 0.00 O ATOM 1461 CB GLU B 142 13.045 -0.772 -6.438 1.00 0.00 C ATOM 1462 CG GLU B 142 13.422 -2.125 -5.846 1.00 0.00 C ATOM 1463 CD GLU B 142 14.917 -2.388 -5.908 1.00 0.00 C ATOM 1464 OE1 GLU B 142 15.521 -2.168 -6.984 1.00 0.00 O ATOM 1465 OE2 GLU B 142 15.501 -2.809 -4.895 1.00 0.00 O ATOM 0 H GLU B 142 10.163 -1.991 -6.345 1.00 0.00 H new ATOM 0 HA GLU B 142 11.245 -0.341 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU B 142 13.363 -0.751 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU B 142 13.609 0.002 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU B 142 13.091 -2.170 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU B 142 12.895 -2.913 -6.383 1.00 0.00 H new ATOM 1472 N ARG B 143 10.119 1.292 -7.427 1.00 0.00 N ATOM 1473 CA ARG B 143 9.863 2.565 -8.111 1.00 0.00 C ATOM 1474 C ARG B 143 8.675 3.311 -7.530 1.00 0.00 C ATOM 1475 O ARG B 143 8.670 4.545 -7.546 1.00 0.00 O ATOM 1476 CB ARG B 143 9.678 2.339 -9.617 1.00 0.00 C ATOM 1477 CG ARG B 143 8.542 1.388 -9.970 1.00 0.00 C ATOM 1478 CD ARG B 143 8.529 1.052 -11.459 1.00 0.00 C ATOM 1479 NE ARG B 143 9.756 0.348 -11.867 1.00 0.00 N ATOM 1480 CZ ARG B 143 9.771 -0.750 -12.609 1.00 0.00 C ATOM 1481 NH1 ARG B 143 8.642 -1.309 -13.029 1.00 0.00 N ATOM 1482 NH2 ARG B 143 10.936 -1.313 -12.945 1.00 0.00 N ATOM 0 H ARG B 143 9.289 0.723 -7.262 1.00 0.00 H new ATOM 0 HA ARG B 143 10.739 3.194 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG B 143 9.495 3.300 -10.098 1.00 0.00 H new ATOM 0 HB3 ARG B 143 10.607 1.947 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG B 143 8.642 0.470 -9.391 1.00 0.00 H new ATOM 0 HG3 ARG B 143 7.590 1.839 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG B 143 7.661 0.432 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG B 143 8.425 1.969 -12.039 1.00 0.00 H new ATOM 0 HE ARG B 143 10.651 0.729 -11.559 1.00 0.00 H new ATOM 0 HH11 ARG B 143 7.744 -0.893 -12.781 1.00 0.00 H new ATOM 0 HH12 ARG B 143 8.673 -2.154 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG B 143 11.813 -0.898 -12.630 1.00 0.00 H new ATOM 0 HH22 ARG B 143 10.948 -2.158 -13.516 1.00 0.00 H new ATOM 1496 N LEU B 144 7.676 2.590 -7.016 1.00 0.00 N ATOM 1497 CA LEU B 144 6.485 3.195 -6.415 1.00 0.00 C ATOM 1498 C LEU B 144 5.668 3.961 -7.465 1.00 0.00 C ATOM 1499 O LEU B 144 6.170 4.290 -8.552 1.00 0.00 O ATOM 1500 CB LEU B 144 6.857 4.135 -5.251 1.00 0.00 C ATOM 1501 CG LEU B 144 7.447 3.454 -3.997 1.00 0.00 C ATOM 1502 CD1 LEU B 144 7.831 4.488 -2.941 1.00 0.00 C ATOM 1503 CD2 LEU B 144 6.461 2.442 -3.411 1.00 0.00 C ATOM 0 H LEU B 144 7.670 1.570 -7.005 1.00 0.00 H new ATOM 0 HA LEU B 144 5.875 2.383 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU B 144 7.578 4.867 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU B 144 5.965 4.687 -4.955 1.00 0.00 H new ATOM 0 HG LEU B 144 8.349 2.923 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU B 144 8.244 3.981 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU B 144 8.577 5.168 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU B 144 6.947 5.054 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU B 144 6.899 1.976 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU B 144 5.539 2.952 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU B 144 6.241 1.676 -4.155 1.00 0.00 H new