USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 762 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 24 HIS :FLIP no HD1:sc= -0.363 F(o=-3.2,f=-1.8) USER MOD Set 1.2: B 46 MET CE :methyl 161:sc= -1.42 (180deg=-1.49) USER MOD Set 2.1: B 7 LYS NZ :NH3+ -171:sc= 1.89 (180deg=1.24) USER MOD Set 2.2: B 43 ASN : amide:sc= 0.748 K(o=2.6,f=-6.6!) USER MOD Set 3.1: A 46 MET CE :methyl 154:sc= -0.152 (180deg=-1.3) USER MOD Set 3.2: B 24 HIS :FLIP no HD1:sc= 0.026 F(o=-1.2,f=-0.13) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= 1.28 (180deg=1.05) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 2.37 (180deg=2.22) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.459 (180deg=0.217) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.19) USER MOD Single : A 19 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0013) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.97 (180deg=1.28) USER MOD Single : A 35 SER OG : rot -80:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= 1.14 (180deg=1.02) USER MOD Single : A 43 ASN : amide:sc= 1.01 K(o=1,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.0145 (180deg=-0.154) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 9 LYS NZ :NH3+ 132:sc= -0.0755 (180deg=-0.556) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.14) USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 1.95 (180deg=1.8) USER MOD Single : B 15 LYS NZ :NH3+ 167:sc= -0.0358 (180deg=-0.225) USER MOD Single : B 19 GLN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.11) USER MOD Single : B 35 SER OG : rot -76:sc= 1.16 USER MOD Single : B 40 LYS NZ :NH3+ 135:sc= -0.0807 (180deg=-0.476) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.547 -13.223 3.094 1.00 0.00 N ATOM 60 CA GLN A 5 17.159 -12.033 2.497 1.00 0.00 C ATOM 61 C GLN A 5 16.091 -11.188 1.838 1.00 0.00 C ATOM 62 O GLN A 5 16.029 -9.979 2.037 1.00 0.00 O ATOM 63 CB GLN A 5 18.196 -12.391 1.435 1.00 0.00 C ATOM 64 CG GLN A 5 19.395 -13.181 1.911 1.00 0.00 C ATOM 65 CD GLN A 5 20.378 -13.412 0.779 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.990 -13.483 -0.393 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.637 -13.505 1.095 1.00 0.00 N ATOM 0 HA GLN A 5 17.654 -11.490 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.700 -12.962 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.553 -11.467 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.889 -12.646 2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.067 -14.139 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.924 -13.442 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.337 -13.641 0.366 1.00 0.00 H new ATOM 76 N LEU A 6 15.243 -11.856 1.075 1.00 0.00 N ATOM 77 CA LEU A 6 14.165 -11.235 0.332 1.00 0.00 C ATOM 78 C LEU A 6 13.213 -10.464 1.277 1.00 0.00 C ATOM 79 O LEU A 6 12.912 -9.293 1.036 1.00 0.00 O ATOM 80 CB LEU A 6 13.453 -12.333 -0.517 1.00 0.00 C ATOM 81 CG LEU A 6 12.298 -11.939 -1.470 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.009 -11.694 -0.718 1.00 0.00 C ATOM 83 CD2 LEU A 6 12.672 -10.721 -2.303 1.00 0.00 C ATOM 0 H LEU A 6 15.288 -12.868 0.954 1.00 0.00 H new ATOM 0 HA LEU A 6 14.554 -10.483 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.217 -12.826 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.063 -13.078 0.176 1.00 0.00 H new ATOM 0 HG LEU A 6 12.132 -12.781 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.223 -11.420 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.720 -12.601 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.153 -10.884 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.844 -10.464 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.883 -9.880 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.556 -10.946 -2.899 1.00 0.00 H new ATOM 95 N LYS A 7 12.782 -11.108 2.353 1.00 0.00 N ATOM 96 CA LYS A 7 11.915 -10.475 3.343 1.00 0.00 C ATOM 97 C LYS A 7 12.603 -9.328 4.028 1.00 0.00 C ATOM 98 O LYS A 7 11.987 -8.312 4.301 1.00 0.00 O ATOM 99 CB LYS A 7 11.406 -11.491 4.369 1.00 0.00 C ATOM 100 CG LYS A 7 9.968 -11.917 4.135 1.00 0.00 C ATOM 101 CD LYS A 7 8.978 -10.797 4.499 1.00 0.00 C ATOM 102 CE LYS A 7 8.763 -10.691 6.013 1.00 0.00 C ATOM 103 NZ LYS A 7 7.720 -9.698 6.365 1.00 0.00 N ATOM 0 H LYS A 7 13.020 -12.077 2.565 1.00 0.00 H new ATOM 0 HA LYS A 7 11.054 -10.075 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.047 -12.373 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.492 -11.062 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.836 -12.194 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.749 -12.804 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.350 -9.846 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.022 -10.984 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.480 -11.667 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.702 -10.414 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.205 -10.020 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.167 -8.780 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.055 -9.597 5.572 1.00 0.00 H new ATOM 117 N ASN A 8 13.876 -9.488 4.286 1.00 0.00 N ATOM 118 CA ASN A 8 14.664 -8.449 4.926 1.00 0.00 C ATOM 119 C ASN A 8 14.761 -7.208 4.037 1.00 0.00 C ATOM 120 O ASN A 8 14.698 -6.064 4.533 1.00 0.00 O ATOM 121 CB ASN A 8 16.046 -8.988 5.313 1.00 0.00 C ATOM 122 CG ASN A 8 16.960 -7.949 5.937 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.871 -7.667 7.133 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.889 -7.439 5.168 1.00 0.00 N ATOM 0 H ASN A 8 14.399 -10.335 4.062 1.00 0.00 H new ATOM 0 HA ASN A 8 14.160 -8.144 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.920 -9.814 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.528 -9.395 4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.569 -6.785 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.932 -7.696 4.182 1.00 0.00 H new ATOM 131 N LYS A 9 14.896 -7.440 2.727 1.00 0.00 N ATOM 132 CA LYS A 9 14.896 -6.356 1.739 1.00 0.00 C ATOM 133 C LYS A 9 13.553 -5.650 1.784 1.00 0.00 C ATOM 134 O LYS A 9 13.488 -4.422 1.864 1.00 0.00 O ATOM 135 CB LYS A 9 15.088 -6.887 0.311 1.00 0.00 C ATOM 136 CG LYS A 9 16.372 -7.650 0.047 1.00 0.00 C ATOM 137 CD LYS A 9 16.357 -8.233 -1.365 1.00 0.00 C ATOM 138 CE LYS A 9 17.562 -9.125 -1.640 1.00 0.00 C ATOM 139 NZ LYS A 9 18.840 -8.385 -1.634 1.00 0.00 N ATOM 0 H LYS A 9 15.007 -8.371 2.326 1.00 0.00 H new ATOM 0 HA LYS A 9 15.719 -5.685 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.247 -7.538 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.043 -6.043 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.229 -6.987 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.485 -8.451 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.443 -8.809 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.338 -7.420 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.602 -9.914 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.434 -9.611 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.623 -9.042 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.818 -7.648 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.980 -7.942 -0.703 1.00 0.00 H new ATOM 153 N ILE A 10 12.488 -6.455 1.735 1.00 0.00 N ATOM 154 CA ILE A 10 11.120 -5.957 1.770 1.00 0.00 C ATOM 155 C ILE A 10 10.869 -5.134 3.012 1.00 0.00 C ATOM 156 O ILE A 10 10.378 -4.021 2.907 1.00 0.00 O ATOM 157 CB ILE A 10 10.071 -7.106 1.648 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.148 -7.731 0.251 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.647 -6.614 1.952 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.166 -8.853 0.015 1.00 0.00 C ATOM 0 H ILE A 10 12.556 -7.471 1.670 1.00 0.00 H new ATOM 0 HA ILE A 10 10.998 -5.312 0.900 1.00 0.00 H new ATOM 0 HB ILE A 10 10.310 -7.865 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.977 -6.952 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.158 -8.108 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.947 -7.444 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.607 -6.221 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.376 -5.827 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.289 -9.237 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.349 -9.654 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.150 -8.479 0.140 1.00 0.00 H new ATOM 172 N GLU A 11 11.233 -5.669 4.174 1.00 0.00 N ATOM 173 CA GLU A 11 11.067 -4.955 5.432 1.00 0.00 C ATOM 174 C GLU A 11 11.734 -3.608 5.402 1.00 0.00 C ATOM 175 O GLU A 11 11.086 -2.598 5.647 1.00 0.00 O ATOM 176 CB GLU A 11 11.588 -5.755 6.621 1.00 0.00 C ATOM 177 CG GLU A 11 10.760 -6.967 6.946 1.00 0.00 C ATOM 178 CD GLU A 11 9.314 -6.607 7.084 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.972 -5.700 7.890 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.487 -7.190 6.375 1.00 0.00 O ATOM 0 H GLU A 11 11.646 -6.597 4.268 1.00 0.00 H new ATOM 0 HA GLU A 11 9.993 -4.813 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.611 -6.070 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.624 -5.106 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.879 -7.714 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.116 -7.418 7.872 1.00 0.00 H new ATOM 187 N ASN A 12 12.998 -3.598 5.045 1.00 0.00 N ATOM 188 CA ASN A 12 13.775 -2.370 4.976 1.00 0.00 C ATOM 189 C ASN A 12 13.175 -1.377 3.993 1.00 0.00 C ATOM 190 O ASN A 12 13.002 -0.208 4.322 1.00 0.00 O ATOM 191 CB ASN A 12 15.251 -2.665 4.637 1.00 0.00 C ATOM 192 CG ASN A 12 16.070 -1.404 4.361 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.577 -0.759 5.280 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.266 -1.088 3.106 1.00 0.00 N ATOM 0 H ASN A 12 13.521 -4.437 4.794 1.00 0.00 H new ATOM 0 HA ASN A 12 13.741 -1.909 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.705 -3.211 5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.293 -3.316 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.852 -0.288 2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.832 -1.642 2.367 1.00 0.00 H new ATOM 201 N LYS A 13 12.809 -1.860 2.818 1.00 0.00 N ATOM 202 CA LYS A 13 12.271 -1.011 1.765 1.00 0.00 C ATOM 203 C LYS A 13 10.912 -0.429 2.159 1.00 0.00 C ATOM 204 O LYS A 13 10.664 0.770 1.999 1.00 0.00 O ATOM 205 CB LYS A 13 12.148 -1.814 0.474 1.00 0.00 C ATOM 206 CG LYS A 13 11.986 -0.970 -0.775 1.00 0.00 C ATOM 207 CD LYS A 13 13.144 -0.001 -0.934 1.00 0.00 C ATOM 208 CE LYS A 13 14.493 -0.693 -0.902 1.00 0.00 C ATOM 209 NZ LYS A 13 15.592 0.272 -1.008 1.00 0.00 N ATOM 0 H LYS A 13 12.875 -2.846 2.566 1.00 0.00 H new ATOM 0 HA LYS A 13 12.956 -0.177 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.034 -2.439 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.293 -2.485 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.927 -1.617 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.049 -0.416 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.037 0.535 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.102 0.743 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.592 -1.259 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.556 -1.409 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.495 -0.238 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.455 0.863 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.607 0.876 -0.161 1.00 0.00 H new ATOM 223 N LYS A 14 10.057 -1.289 2.670 1.00 0.00 N ATOM 224 CA LYS A 14 8.745 -0.943 3.157 1.00 0.00 C ATOM 225 C LYS A 14 8.878 0.105 4.246 1.00 0.00 C ATOM 226 O LYS A 14 8.229 1.129 4.205 1.00 0.00 O ATOM 227 CB LYS A 14 8.105 -2.213 3.724 1.00 0.00 C ATOM 228 CG LYS A 14 6.707 -2.071 4.290 1.00 0.00 C ATOM 229 CD LYS A 14 6.207 -3.400 4.853 1.00 0.00 C ATOM 230 CE LYS A 14 7.023 -3.840 6.046 1.00 0.00 C ATOM 231 NZ LYS A 14 6.646 -5.177 6.535 1.00 0.00 N ATOM 0 H LYS A 14 10.267 -2.283 2.759 1.00 0.00 H new ATOM 0 HA LYS A 14 8.126 -0.539 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.079 -2.964 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.754 -2.600 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.704 -1.315 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.029 -1.724 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.161 -3.303 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.253 -4.165 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.079 -3.841 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.900 -3.116 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.126 -5.364 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.616 -5.218 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.929 -5.894 5.837 1.00 0.00 H new ATOM 245 N LYS A 15 9.764 -0.158 5.189 1.00 0.00 N ATOM 246 CA LYS A 15 10.026 0.746 6.289 1.00 0.00 C ATOM 247 C LYS A 15 10.588 2.080 5.806 1.00 0.00 C ATOM 248 O LYS A 15 10.210 3.121 6.333 1.00 0.00 O ATOM 249 CB LYS A 15 10.897 0.062 7.350 1.00 0.00 C ATOM 250 CG LYS A 15 10.115 -0.964 8.189 1.00 0.00 C ATOM 251 CD LYS A 15 11.033 -1.988 8.854 1.00 0.00 C ATOM 252 CE LYS A 15 10.312 -2.796 9.943 1.00 0.00 C ATOM 253 NZ LYS A 15 9.108 -3.522 9.454 1.00 0.00 N ATOM 0 H LYS A 15 10.324 -1.010 5.212 1.00 0.00 H new ATOM 0 HA LYS A 15 9.080 0.992 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.734 -0.437 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.319 0.819 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.541 -0.442 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.399 -1.482 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.423 -2.669 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.889 -1.475 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.010 -3.516 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.017 -2.122 10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.635 -3.989 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.452 -2.848 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.394 -4.238 8.756 1.00 0.00 H new ATOM 267 N GLU A 16 11.453 2.051 4.771 1.00 0.00 N ATOM 268 CA GLU A 16 11.946 3.288 4.140 1.00 0.00 C ATOM 269 C GLU A 16 10.774 4.109 3.643 1.00 0.00 C ATOM 270 O GLU A 16 10.693 5.319 3.875 1.00 0.00 O ATOM 271 CB GLU A 16 12.885 3.025 2.938 1.00 0.00 C ATOM 272 CG GLU A 16 14.267 2.495 3.252 1.00 0.00 C ATOM 273 CD GLU A 16 15.144 2.497 2.012 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.555 3.588 1.574 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.428 1.417 1.431 1.00 0.00 O ATOM 0 H GLU A 16 11.820 1.193 4.360 1.00 0.00 H new ATOM 0 HA GLU A 16 12.514 3.817 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.393 2.316 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.997 3.957 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.727 3.106 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.191 1.482 3.647 1.00 0.00 H new ATOM 282 N LEU A 17 9.859 3.429 3.003 1.00 0.00 N ATOM 283 CA LEU A 17 8.691 4.036 2.435 1.00 0.00 C ATOM 284 C LEU A 17 7.753 4.565 3.509 1.00 0.00 C ATOM 285 O LEU A 17 7.217 5.664 3.371 1.00 0.00 O ATOM 286 CB LEU A 17 8.004 3.037 1.464 1.00 0.00 C ATOM 287 CG LEU A 17 6.575 3.336 0.966 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.525 3.004 1.993 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.442 4.748 0.431 1.00 0.00 C ATOM 0 H LEU A 17 9.909 2.420 2.861 1.00 0.00 H new ATOM 0 HA LEU A 17 8.988 4.910 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.644 2.939 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.984 2.064 1.954 1.00 0.00 H new ATOM 0 HG LEU A 17 6.392 2.668 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.538 3.233 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.579 1.944 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.697 3.595 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.420 4.914 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.682 5.460 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.128 4.887 -0.404 1.00 0.00 H new ATOM 301 N ILE A 18 7.549 3.795 4.558 1.00 0.00 N ATOM 302 CA ILE A 18 6.651 4.199 5.623 1.00 0.00 C ATOM 303 C ILE A 18 7.125 5.520 6.223 1.00 0.00 C ATOM 304 O ILE A 18 6.338 6.426 6.446 1.00 0.00 O ATOM 305 CB ILE A 18 6.528 3.126 6.731 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.978 1.823 6.142 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.599 3.633 7.837 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.142 0.621 7.043 1.00 0.00 C ATOM 0 H ILE A 18 7.992 2.887 4.697 1.00 0.00 H new ATOM 0 HA ILE A 18 5.660 4.323 5.186 1.00 0.00 H new ATOM 0 HB ILE A 18 7.515 2.932 7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.919 1.956 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.480 1.625 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.514 2.876 8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.008 4.549 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.613 3.836 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.728 -0.260 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.201 0.459 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.616 0.795 7.982 1.00 0.00 H new ATOM 320 N GLN A 19 8.429 5.624 6.417 1.00 0.00 N ATOM 321 CA GLN A 19 9.060 6.837 6.918 1.00 0.00 C ATOM 322 C GLN A 19 8.815 8.009 5.955 1.00 0.00 C ATOM 323 O GLN A 19 8.650 9.156 6.377 1.00 0.00 O ATOM 324 CB GLN A 19 10.554 6.598 7.073 1.00 0.00 C ATOM 325 CG GLN A 19 10.913 5.556 8.116 1.00 0.00 C ATOM 326 CD GLN A 19 12.373 5.142 8.062 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.005 5.137 6.996 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.928 4.815 9.193 1.00 0.00 N ATOM 0 H GLN A 19 9.085 4.865 6.231 1.00 0.00 H new ATOM 0 HA GLN A 19 8.626 7.090 7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.963 6.289 6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.036 7.540 7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.689 5.950 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.286 4.676 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.380 4.829 10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.911 4.544 9.219 1.00 0.00 H new ATOM 337 N LEU A 20 8.757 7.700 4.670 1.00 0.00 N ATOM 338 CA LEU A 20 8.536 8.697 3.645 1.00 0.00 C ATOM 339 C LEU A 20 7.090 9.188 3.642 1.00 0.00 C ATOM 340 O LEU A 20 6.853 10.395 3.608 1.00 0.00 O ATOM 341 CB LEU A 20 8.955 8.194 2.261 1.00 0.00 C ATOM 342 CG LEU A 20 10.442 7.874 2.070 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.695 7.360 0.667 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.303 9.101 2.343 1.00 0.00 C ATOM 0 H LEU A 20 8.862 6.751 4.312 1.00 0.00 H new ATOM 0 HA LEU A 20 9.173 9.548 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.381 7.295 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.671 8.946 1.525 1.00 0.00 H new ATOM 0 HG LEU A 20 10.716 7.098 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.755 7.137 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.113 6.454 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.399 8.119 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.353 8.847 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.026 9.900 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.146 9.435 3.369 1.00 0.00 H new ATOM 356 N VAL A 21 6.112 8.278 3.665 1.00 0.00 N ATOM 357 CA VAL A 21 4.740 8.710 3.763 1.00 0.00 C ATOM 358 C VAL A 21 4.474 9.414 5.118 1.00 0.00 C ATOM 359 O VAL A 21 3.675 10.329 5.199 1.00 0.00 O ATOM 360 CB VAL A 21 3.744 7.550 3.550 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.093 6.738 2.346 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.559 6.682 4.762 1.00 0.00 C ATOM 0 H VAL A 21 6.251 7.269 3.618 1.00 0.00 H new ATOM 0 HA VAL A 21 4.578 9.428 2.959 1.00 0.00 H new ATOM 0 HB VAL A 21 2.778 8.023 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.369 5.931 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.074 7.373 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.090 6.316 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.846 5.889 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.515 6.241 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.182 7.285 5.588 1.00 0.00 H new ATOM 372 N ALA A 22 5.177 8.985 6.156 1.00 0.00 N ATOM 373 CA ALA A 22 5.037 9.539 7.488 1.00 0.00 C ATOM 374 C ALA A 22 5.408 11.015 7.514 1.00 0.00 C ATOM 375 O ALA A 22 4.601 11.864 7.929 1.00 0.00 O ATOM 376 CB ALA A 22 5.897 8.759 8.452 1.00 0.00 C ATOM 0 H ALA A 22 5.866 8.236 6.093 1.00 0.00 H new ATOM 0 HA ALA A 22 3.993 9.458 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.791 9.176 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.582 7.716 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.940 8.821 8.141 1.00 0.00 H new ATOM 382 N ARG A 23 6.595 11.318 6.989 1.00 0.00 N ATOM 383 CA ARG A 23 7.125 12.687 6.943 1.00 0.00 C ATOM 384 C ARG A 23 6.262 13.606 6.075 1.00 0.00 C ATOM 385 O ARG A 23 6.355 14.828 6.179 1.00 0.00 O ATOM 386 CB ARG A 23 8.601 12.706 6.502 1.00 0.00 C ATOM 387 CG ARG A 23 8.850 12.128 5.124 1.00 0.00 C ATOM 388 CD ARG A 23 10.332 12.015 4.805 1.00 0.00 C ATOM 389 NE ARG A 23 10.995 13.318 4.716 1.00 0.00 N ATOM 390 CZ ARG A 23 12.327 13.512 4.792 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.143 12.489 5.055 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.826 14.730 4.630 1.00 0.00 N ATOM 0 H ARG A 23 7.220 10.622 6.582 1.00 0.00 H new ATOM 0 HA ARG A 23 7.084 13.081 7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.960 13.735 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.192 12.148 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.390 11.142 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.366 12.756 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.820 11.416 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.456 11.484 3.861 1.00 0.00 H new ATOM 0 HE ARG A 23 10.405 14.140 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.760 11.555 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.150 12.641 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.203 15.517 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.833 14.880 4.687 1.00 0.00 H new ATOM 406 N HIS A 24 5.444 13.004 5.205 1.00 0.00 N ATOM 407 CA HIS A 24 4.498 13.747 4.386 1.00 0.00 C ATOM 408 C HIS A 24 3.559 14.575 5.268 1.00 0.00 C ATOM 409 O HIS A 24 3.270 15.732 4.959 1.00 0.00 O ATOM 410 CB HIS A 24 3.672 12.794 3.479 1.00 0.00 C ATOM 411 CG HIS A 24 2.553 13.474 2.710 1.00 0.00 C ATOM 412 ND1 HIS A 24 2.574 14.065 1.501 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.260 13.627 3.177 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.321 14.587 1.214 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 0.570 14.296 2.252 1.00 0.00 N flip ATOM 0 H HIS A 24 5.423 11.995 5.054 1.00 0.00 H new ATOM 0 HA HIS A 24 5.069 14.420 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.345 12.314 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.244 12.004 4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.878 13.269 4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.025 15.121 0.323 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.414 14.549 2.339 1.00 0.00 H new ATOM 423 N GLY A 25 3.121 14.003 6.373 1.00 0.00 N ATOM 424 CA GLY A 25 2.185 14.709 7.210 1.00 0.00 C ATOM 425 C GLY A 25 1.337 13.808 8.072 1.00 0.00 C ATOM 426 O GLY A 25 0.518 14.293 8.861 1.00 0.00 O ATOM 0 H GLY A 25 3.392 13.076 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.734 15.398 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.532 15.312 6.580 1.00 0.00 H new ATOM 430 N LEU A 26 1.491 12.508 7.903 1.00 0.00 N ATOM 431 CA LEU A 26 0.789 11.531 8.695 1.00 0.00 C ATOM 432 C LEU A 26 1.049 11.666 10.175 1.00 0.00 C ATOM 433 O LEU A 26 2.146 12.043 10.605 1.00 0.00 O ATOM 434 CB LEU A 26 1.168 10.132 8.263 1.00 0.00 C ATOM 435 CG LEU A 26 0.416 9.550 7.084 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.653 10.284 5.794 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.687 8.078 6.953 1.00 0.00 C ATOM 0 H LEU A 26 2.114 12.103 7.204 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.272 11.714 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.231 10.128 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.031 9.466 9.115 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.644 9.686 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.082 9.810 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.335 11.321 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.714 10.254 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.137 7.681 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.755 7.916 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.367 7.567 7.861 1.00 0.00 H new ATOM 449 N ASP A 27 0.030 11.353 10.938 1.00 0.00 N ATOM 450 CA ASP A 27 0.110 11.333 12.392 1.00 0.00 C ATOM 451 C ASP A 27 0.815 10.059 12.774 1.00 0.00 C ATOM 452 O ASP A 27 0.886 9.136 11.956 1.00 0.00 O ATOM 453 CB ASP A 27 -1.292 11.274 13.035 1.00 0.00 C ATOM 454 CG ASP A 27 -2.249 12.336 12.571 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.267 13.423 13.151 1.00 0.00 O ATOM 456 OD2 ASP A 27 -3.028 12.074 11.619 1.00 0.00 O ATOM 0 H ASP A 27 -0.888 11.102 10.572 1.00 0.00 H new ATOM 0 HA ASP A 27 0.622 12.234 12.731 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.729 10.297 12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.183 11.352 14.117 1.00 0.00 H new ATOM 461 N HIS A 28 1.285 9.966 14.002 1.00 0.00 N ATOM 462 CA HIS A 28 1.921 8.740 14.494 1.00 0.00 C ATOM 463 C HIS A 28 0.934 7.562 14.350 1.00 0.00 C ATOM 464 O HIS A 28 1.299 6.470 13.913 1.00 0.00 O ATOM 465 CB HIS A 28 2.353 8.929 15.955 1.00 0.00 C ATOM 466 CG HIS A 28 3.083 7.764 16.544 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.564 6.949 17.519 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.330 7.306 16.296 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.482 6.044 17.833 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.583 6.214 17.114 1.00 0.00 N ATOM 0 H HIS A 28 1.243 10.722 14.686 1.00 0.00 H new ATOM 0 HA HIS A 28 2.812 8.519 13.906 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.990 9.811 16.021 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.468 9.129 16.559 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.019 7.723 15.577 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.350 5.271 18.576 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.437 5.658 17.154 1.00 0.00 H new ATOM 478 N ASP A 29 -0.325 7.855 14.646 1.00 0.00 N ATOM 479 CA ASP A 29 -1.451 6.942 14.514 1.00 0.00 C ATOM 480 C ASP A 29 -1.566 6.436 13.097 1.00 0.00 C ATOM 481 O ASP A 29 -1.716 5.239 12.864 1.00 0.00 O ATOM 482 CB ASP A 29 -2.736 7.689 14.928 1.00 0.00 C ATOM 483 CG ASP A 29 -4.011 7.142 14.325 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.463 6.057 14.726 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.606 7.846 13.449 1.00 0.00 O ATOM 0 H ASP A 29 -0.600 8.772 14.999 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.300 6.077 15.160 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.823 7.659 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.637 8.737 14.645 1.00 0.00 H new ATOM 490 N LYS A 30 -1.417 7.345 12.161 1.00 0.00 N ATOM 491 CA LYS A 30 -1.527 7.033 10.755 1.00 0.00 C ATOM 492 C LYS A 30 -0.403 6.137 10.325 1.00 0.00 C ATOM 493 O LYS A 30 -0.617 5.197 9.588 1.00 0.00 O ATOM 494 CB LYS A 30 -1.526 8.301 9.920 1.00 0.00 C ATOM 495 CG LYS A 30 -2.684 9.231 10.186 1.00 0.00 C ATOM 496 CD LYS A 30 -4.019 8.578 9.921 1.00 0.00 C ATOM 497 CE LYS A 30 -5.159 9.512 10.288 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.054 9.983 11.694 1.00 0.00 N ATOM 0 H LYS A 30 -1.215 8.326 12.355 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.472 6.513 10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.596 8.839 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.533 8.026 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.646 9.567 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.586 10.118 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.092 8.304 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.099 7.656 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.157 10.370 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.110 8.998 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.969 10.371 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.793 9.186 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.326 10.723 11.759 1.00 0.00 H new ATOM 512 N VAL A 31 0.785 6.412 10.828 1.00 0.00 N ATOM 513 CA VAL A 31 1.961 5.635 10.506 1.00 0.00 C ATOM 514 C VAL A 31 1.784 4.207 11.010 1.00 0.00 C ATOM 515 O VAL A 31 2.112 3.250 10.317 1.00 0.00 O ATOM 516 CB VAL A 31 3.233 6.278 11.119 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.486 5.488 10.772 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.366 7.713 10.648 1.00 0.00 C ATOM 0 H VAL A 31 0.960 7.183 11.473 1.00 0.00 H new ATOM 0 HA VAL A 31 2.086 5.618 9.423 1.00 0.00 H new ATOM 0 HB VAL A 31 3.127 6.263 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.355 5.970 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.395 4.473 11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.607 5.454 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.261 8.157 11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.442 7.734 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.490 8.281 10.961 1.00 0.00 H new ATOM 528 N LEU A 32 1.227 4.080 12.199 1.00 0.00 N ATOM 529 CA LEU A 32 0.944 2.783 12.805 1.00 0.00 C ATOM 530 C LEU A 32 -0.048 2.000 11.975 1.00 0.00 C ATOM 531 O LEU A 32 0.184 0.839 11.660 1.00 0.00 O ATOM 532 CB LEU A 32 0.419 2.967 14.220 1.00 0.00 C ATOM 533 CG LEU A 32 1.357 3.685 15.186 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.705 3.841 16.529 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.681 2.949 15.316 1.00 0.00 C ATOM 0 H LEU A 32 0.955 4.874 12.778 1.00 0.00 H new ATOM 0 HA LEU A 32 1.874 2.216 12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.517 3.523 14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.185 1.985 14.632 1.00 0.00 H new ATOM 0 HG LEU A 32 1.565 4.676 14.782 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.387 4.355 17.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.210 4.424 16.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.464 2.858 16.933 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.328 3.484 16.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.502 1.941 15.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.164 2.893 14.340 1.00 0.00 H new ATOM 547 N LEU A 33 -1.116 2.649 11.587 1.00 0.00 N ATOM 548 CA LEU A 33 -2.159 2.015 10.800 1.00 0.00 C ATOM 549 C LEU A 33 -1.649 1.668 9.415 1.00 0.00 C ATOM 550 O LEU A 33 -1.866 0.563 8.924 1.00 0.00 O ATOM 551 CB LEU A 33 -3.363 2.937 10.697 1.00 0.00 C ATOM 552 CG LEU A 33 -3.990 3.356 12.018 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.070 4.384 11.788 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.543 2.155 12.758 1.00 0.00 C ATOM 0 H LEU A 33 -1.293 3.630 11.804 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.456 1.092 11.298 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.064 3.835 10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.125 2.442 10.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.213 3.805 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.508 4.672 12.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.640 5.262 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.844 3.961 11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.986 2.480 13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.304 1.670 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.737 1.450 12.961 1.00 0.00 H new ATOM 566 N PHE A 34 -0.945 2.599 8.807 1.00 0.00 N ATOM 567 CA PHE A 34 -0.409 2.409 7.484 1.00 0.00 C ATOM 568 C PHE A 34 0.584 1.261 7.450 1.00 0.00 C ATOM 569 O PHE A 34 0.452 0.372 6.629 1.00 0.00 O ATOM 570 CB PHE A 34 0.239 3.699 6.951 1.00 0.00 C ATOM 571 CG PHE A 34 0.886 3.533 5.608 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.125 3.516 4.454 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.256 3.370 5.504 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.721 3.339 3.226 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.851 3.198 4.280 1.00 0.00 C ATOM 576 CZ PHE A 34 2.086 3.179 3.145 1.00 0.00 C ATOM 0 H PHE A 34 -0.730 3.507 9.219 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.244 2.155 6.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.521 4.478 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.987 4.043 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.946 3.643 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.864 3.378 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.120 3.326 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.922 3.078 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.555 3.038 2.182 1.00 0.00 H new ATOM 586 N SER A 35 1.545 1.269 8.367 1.00 0.00 N ATOM 587 CA SER A 35 2.599 0.267 8.381 1.00 0.00 C ATOM 588 C SER A 35 2.048 -1.147 8.508 1.00 0.00 C ATOM 589 O SER A 35 2.480 -2.061 7.795 1.00 0.00 O ATOM 590 CB SER A 35 3.614 0.573 9.488 1.00 0.00 C ATOM 591 OG SER A 35 2.968 0.774 10.732 1.00 0.00 O ATOM 0 H SER A 35 1.614 1.962 9.112 1.00 0.00 H new ATOM 0 HA SER A 35 3.111 0.315 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.324 -0.250 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.187 1.462 9.225 1.00 0.00 H new ATOM 0 HG SER A 35 2.607 1.684 10.770 1.00 0.00 H new ATOM 597 N ARG A 36 1.072 -1.315 9.374 1.00 0.00 N ATOM 598 CA ARG A 36 0.497 -2.612 9.597 1.00 0.00 C ATOM 599 C ARG A 36 -0.407 -3.042 8.441 1.00 0.00 C ATOM 600 O ARG A 36 -0.376 -4.203 8.029 1.00 0.00 O ATOM 601 CB ARG A 36 -0.216 -2.679 10.942 1.00 0.00 C ATOM 602 CG ARG A 36 -1.402 -1.747 11.086 1.00 0.00 C ATOM 603 CD ARG A 36 -1.934 -1.783 12.490 1.00 0.00 C ATOM 604 NE ARG A 36 -2.280 -3.156 12.886 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.482 -3.567 14.135 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.406 -2.703 15.146 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.767 -4.844 14.370 1.00 0.00 N ATOM 0 H ARG A 36 0.664 -0.565 9.933 1.00 0.00 H new ATOM 0 HA ARG A 36 1.316 -3.330 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.555 -3.702 11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.503 -2.452 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.106 -0.730 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.186 -2.037 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.189 -1.380 13.176 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.815 -1.146 12.566 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.373 -3.849 12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.192 -1.722 14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.562 -3.022 16.102 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.830 -5.504 13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.923 -5.164 15.326 1.00 0.00 H new ATOM 621 N ASP A 37 -1.176 -2.100 7.884 1.00 0.00 N ATOM 622 CA ASP A 37 -2.085 -2.425 6.777 1.00 0.00 C ATOM 623 C ASP A 37 -1.274 -2.744 5.542 1.00 0.00 C ATOM 624 O ASP A 37 -1.619 -3.639 4.765 1.00 0.00 O ATOM 625 CB ASP A 37 -3.061 -1.282 6.483 1.00 0.00 C ATOM 626 CG ASP A 37 -4.210 -1.718 5.592 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.070 -2.499 6.047 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.315 -1.273 4.440 1.00 0.00 O ATOM 0 H ASP A 37 -1.189 -1.122 8.174 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.678 -3.291 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.459 -0.897 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.524 -0.463 6.004 1.00 0.00 H new ATOM 633 N LEU A 38 -0.182 -2.018 5.388 1.00 0.00 N ATOM 634 CA LEU A 38 0.780 -2.229 4.324 1.00 0.00 C ATOM 635 C LEU A 38 1.408 -3.604 4.449 1.00 0.00 C ATOM 636 O LEU A 38 1.432 -4.360 3.487 1.00 0.00 O ATOM 637 CB LEU A 38 1.847 -1.119 4.364 1.00 0.00 C ATOM 638 CG LEU A 38 3.109 -1.292 3.512 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.783 -1.535 2.062 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.975 -0.063 3.640 1.00 0.00 C ATOM 0 H LEU A 38 0.065 -1.250 6.012 1.00 0.00 H new ATOM 0 HA LEU A 38 0.273 -2.183 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.368 -0.187 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.160 -0.996 5.401 1.00 0.00 H new ATOM 0 HG LEU A 38 3.642 -2.168 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.707 -1.652 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.185 -2.441 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.221 -0.688 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.873 -0.186 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.421 0.810 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.258 0.076 4.683 1.00 0.00 H new ATOM 652 N ASP A 39 1.881 -3.930 5.644 1.00 0.00 N ATOM 653 CA ASP A 39 2.492 -5.235 5.915 1.00 0.00 C ATOM 654 C ASP A 39 1.526 -6.349 5.558 1.00 0.00 C ATOM 655 O ASP A 39 1.867 -7.268 4.832 1.00 0.00 O ATOM 656 CB ASP A 39 2.892 -5.352 7.390 1.00 0.00 C ATOM 657 CG ASP A 39 3.575 -6.667 7.718 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.756 -6.819 7.380 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.953 -7.548 8.339 1.00 0.00 O ATOM 0 H ASP A 39 1.855 -3.307 6.451 1.00 0.00 H new ATOM 0 HA ASP A 39 3.389 -5.325 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.559 -4.529 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.003 -5.246 8.011 1.00 0.00 H new ATOM 664 N LYS A 40 0.300 -6.196 6.014 1.00 0.00 N ATOM 665 CA LYS A 40 -0.756 -7.107 5.811 1.00 0.00 C ATOM 666 C LYS A 40 -1.137 -7.236 4.327 1.00 0.00 C ATOM 667 O LYS A 40 -1.484 -8.324 3.867 1.00 0.00 O ATOM 668 CB LYS A 40 -1.886 -6.599 6.646 1.00 0.00 C ATOM 669 CG LYS A 40 -3.128 -7.404 6.610 1.00 0.00 C ATOM 670 CD LYS A 40 -4.099 -6.975 7.713 1.00 0.00 C ATOM 671 CE LYS A 40 -4.450 -5.490 7.665 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.187 -5.111 6.435 1.00 0.00 N ATOM 0 H LYS A 40 0.021 -5.383 6.563 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.471 -8.117 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.548 -6.534 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.123 -5.585 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.607 -7.294 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.884 -8.460 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.015 -7.560 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.660 -7.206 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.053 -5.236 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.534 -4.903 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.929 -4.141 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.939 -5.766 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.210 -5.160 6.615 1.00 0.00 H new ATOM 686 N LEU A 41 -1.059 -6.134 3.588 1.00 0.00 N ATOM 687 CA LEU A 41 -1.327 -6.152 2.150 1.00 0.00 C ATOM 688 C LEU A 41 -0.260 -6.969 1.463 1.00 0.00 C ATOM 689 O LEU A 41 -0.543 -7.772 0.569 1.00 0.00 O ATOM 690 CB LEU A 41 -1.345 -4.724 1.571 1.00 0.00 C ATOM 691 CG LEU A 41 -1.538 -4.599 0.048 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.860 -5.203 -0.403 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.430 -3.148 -0.390 1.00 0.00 C ATOM 0 H LEU A 41 -0.813 -5.216 3.959 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.308 -6.596 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.143 -4.167 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.407 -4.237 1.836 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.740 -5.165 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.960 -5.095 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.886 -6.260 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.683 -4.686 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.569 -3.082 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.197 -2.558 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.446 -2.761 -0.127 1.00 0.00 H new ATOM 705 N ILE A 42 0.952 -6.805 1.931 1.00 0.00 N ATOM 706 CA ILE A 42 2.079 -7.514 1.375 1.00 0.00 C ATOM 707 C ILE A 42 1.936 -8.996 1.681 1.00 0.00 C ATOM 708 O ILE A 42 1.925 -9.816 0.774 1.00 0.00 O ATOM 709 CB ILE A 42 3.432 -6.953 1.897 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.570 -5.491 1.486 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.605 -7.755 1.353 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.828 -4.828 1.971 1.00 0.00 C ATOM 0 H ILE A 42 1.185 -6.181 2.703 1.00 0.00 H new ATOM 0 HA ILE A 42 2.085 -7.370 0.295 1.00 0.00 H new ATOM 0 HB ILE A 42 3.442 -7.033 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.536 -5.427 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.712 -4.937 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.538 -7.340 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.514 -8.794 1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.605 -7.706 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.846 -3.791 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.858 -4.857 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.694 -5.354 1.570 1.00 0.00 H new ATOM 724 N ASN A 43 1.756 -9.311 2.957 1.00 0.00 N ATOM 725 CA ASN A 43 1.542 -10.695 3.458 1.00 0.00 C ATOM 726 C ASN A 43 0.427 -11.395 2.709 1.00 0.00 C ATOM 727 O ASN A 43 0.494 -12.590 2.477 1.00 0.00 O ATOM 728 CB ASN A 43 1.184 -10.718 4.958 1.00 0.00 C ATOM 729 CG ASN A 43 2.242 -10.126 5.852 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.434 -10.176 5.550 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.820 -9.566 6.952 1.00 0.00 N ATOM 0 H ASN A 43 1.752 -8.611 3.699 1.00 0.00 H new ATOM 0 HA ASN A 43 2.486 -11.215 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.252 -10.173 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.002 -11.749 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.488 -9.148 7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.822 -9.546 7.164 1.00 0.00 H new ATOM 738 N LYS A 44 -0.596 -10.644 2.337 1.00 0.00 N ATOM 739 CA LYS A 44 -1.731 -11.177 1.593 1.00 0.00 C ATOM 740 C LYS A 44 -1.290 -11.673 0.217 1.00 0.00 C ATOM 741 O LYS A 44 -1.654 -12.768 -0.204 1.00 0.00 O ATOM 742 CB LYS A 44 -2.806 -10.103 1.437 1.00 0.00 C ATOM 743 CG LYS A 44 -4.029 -10.553 0.650 1.00 0.00 C ATOM 744 CD LYS A 44 -5.025 -9.427 0.468 1.00 0.00 C ATOM 745 CE LYS A 44 -5.602 -8.965 1.795 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.389 -10.027 2.472 1.00 0.00 N ATOM 0 H LYS A 44 -0.666 -9.647 2.541 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.142 -12.019 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.125 -9.778 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.368 -9.236 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.717 -10.924 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.509 -11.383 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.538 -8.588 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.833 -9.758 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.791 -8.645 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.238 -8.096 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.925 -9.612 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.049 -10.457 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.745 -10.757 2.838 1.00 0.00 H new ATOM 760 N PHE A 45 -0.503 -10.864 -0.459 1.00 0.00 N ATOM 761 CA PHE A 45 0.009 -11.199 -1.771 1.00 0.00 C ATOM 762 C PHE A 45 1.155 -12.204 -1.697 1.00 0.00 C ATOM 763 O PHE A 45 1.309 -13.037 -2.581 1.00 0.00 O ATOM 764 CB PHE A 45 0.404 -9.936 -2.538 1.00 0.00 C ATOM 765 CG PHE A 45 -0.781 -9.231 -3.146 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.630 -8.436 -2.382 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.050 -9.378 -4.498 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.717 -7.809 -2.963 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.131 -8.752 -5.077 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.966 -7.967 -4.309 1.00 0.00 C ATOM 0 H PHE A 45 -0.199 -9.953 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.793 -11.687 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.921 -9.253 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.109 -10.200 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.438 -8.308 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.402 -9.992 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.371 -7.195 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.325 -8.875 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.815 -7.476 -4.763 1.00 0.00 H new ATOM 780 N MET A 46 1.941 -12.141 -0.636 1.00 0.00 N ATOM 781 CA MET A 46 3.036 -13.094 -0.443 1.00 0.00 C ATOM 782 C MET A 46 2.464 -14.455 -0.068 1.00 0.00 C ATOM 783 O MET A 46 3.027 -15.484 -0.396 1.00 0.00 O ATOM 784 CB MET A 46 3.983 -12.667 0.693 1.00 0.00 C ATOM 785 CG MET A 46 4.528 -11.257 0.624 1.00 0.00 C ATOM 786 SD MET A 46 5.751 -10.914 1.911 1.00 0.00 S ATOM 787 CE MET A 46 7.090 -11.992 1.418 1.00 0.00 C ATOM 0 H MET A 46 1.848 -11.446 0.105 1.00 0.00 H new ATOM 0 HA MET A 46 3.594 -13.132 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.454 -12.782 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.826 -13.358 0.712 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.981 -11.095 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.704 -10.549 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.034 -11.591 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.930 -12.986 1.836 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.123 -12.057 0.330 1.00 0.00 H new ATOM 1151 N LEU B 6 8.930 15.029 -2.745 1.00 0.00 N ATOM 1152 CA LEU B 6 8.740 14.092 -1.652 1.00 0.00 C ATOM 1153 C LEU B 6 7.954 12.880 -2.166 1.00 0.00 C ATOM 1154 O LEU B 6 8.329 11.734 -1.918 1.00 0.00 O ATOM 1155 CB LEU B 6 8.053 14.827 -0.459 1.00 0.00 C ATOM 1156 CG LEU B 6 7.760 14.048 0.855 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.520 13.183 0.741 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.959 13.205 1.274 1.00 0.00 C ATOM 0 HA LEU B 6 9.692 13.715 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.677 15.682 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.105 15.223 -0.822 1.00 0.00 H new ATOM 0 HG LEU B 6 7.572 14.794 1.628 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.355 12.658 1.682 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.657 13.811 0.520 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.655 12.457 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.725 12.672 2.195 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.191 12.486 0.488 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.820 13.853 1.439 1.00 0.00 H new ATOM 1170 N LYS B 7 6.892 13.149 -2.917 1.00 0.00 N ATOM 1171 CA LYS B 7 6.116 12.098 -3.551 1.00 0.00 C ATOM 1172 C LYS B 7 6.954 11.309 -4.523 1.00 0.00 C ATOM 1173 O LYS B 7 6.810 10.111 -4.618 1.00 0.00 O ATOM 1174 CB LYS B 7 4.868 12.659 -4.225 1.00 0.00 C ATOM 1175 CG LYS B 7 3.600 12.361 -3.449 1.00 0.00 C ATOM 1176 CD LYS B 7 3.206 10.882 -3.565 1.00 0.00 C ATOM 1177 CE LYS B 7 2.427 10.606 -4.839 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.918 9.213 -4.906 1.00 0.00 N ATOM 0 H LYS B 7 6.550 14.092 -3.100 1.00 0.00 H new ATOM 0 HA LYS B 7 5.788 11.414 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.975 13.738 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.782 12.240 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.745 12.619 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.788 12.986 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.104 10.264 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.605 10.597 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.588 11.299 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.067 10.797 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.529 9.031 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.697 8.550 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.172 9.081 -4.194 1.00 0.00 H new ATOM 1192 N ASN B 8 7.847 11.994 -5.207 1.00 0.00 N ATOM 1193 CA ASN B 8 8.782 11.369 -6.145 1.00 0.00 C ATOM 1194 C ASN B 8 9.623 10.300 -5.431 1.00 0.00 C ATOM 1195 O ASN B 8 9.796 9.181 -5.948 1.00 0.00 O ATOM 1196 CB ASN B 8 9.695 12.438 -6.763 1.00 0.00 C ATOM 1197 CG ASN B 8 10.743 11.885 -7.714 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.522 10.891 -8.403 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.893 12.513 -7.745 1.00 0.00 N ATOM 0 H ASN B 8 7.952 13.006 -5.134 1.00 0.00 H new ATOM 0 HA ASN B 8 8.213 10.886 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.079 13.161 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.197 12.979 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.640 12.180 -8.355 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.041 13.335 -7.159 1.00 0.00 H new ATOM 1206 N LYS B 9 10.115 10.646 -4.233 1.00 0.00 N ATOM 1207 CA LYS B 9 10.890 9.721 -3.399 1.00 0.00 C ATOM 1208 C LYS B 9 10.034 8.515 -3.061 1.00 0.00 C ATOM 1209 O LYS B 9 10.472 7.368 -3.175 1.00 0.00 O ATOM 1210 CB LYS B 9 11.305 10.380 -2.077 1.00 0.00 C ATOM 1211 CG LYS B 9 12.188 11.613 -2.178 1.00 0.00 C ATOM 1212 CD LYS B 9 13.544 11.302 -2.786 1.00 0.00 C ATOM 1213 CE LYS B 9 14.468 12.507 -2.690 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.722 12.898 -1.283 1.00 0.00 N ATOM 0 H LYS B 9 9.987 11.569 -3.818 1.00 0.00 H new ATOM 0 HA LYS B 9 11.781 9.434 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.400 10.653 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.826 9.636 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.686 12.368 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.327 12.040 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.992 10.452 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.422 11.014 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.415 12.279 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.026 13.347 -3.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.743 13.036 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.220 13.784 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.381 12.148 -0.648 1.00 0.00 H new ATOM 1228 N ILE B 10 8.812 8.805 -2.644 1.00 0.00 N ATOM 1229 CA ILE B 10 7.829 7.803 -2.282 1.00 0.00 C ATOM 1230 C ILE B 10 7.554 6.863 -3.435 1.00 0.00 C ATOM 1231 O ILE B 10 7.642 5.661 -3.267 1.00 0.00 O ATOM 1232 CB ILE B 10 6.522 8.467 -1.771 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.806 9.135 -0.429 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.365 7.465 -1.665 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.634 9.839 0.178 1.00 0.00 C ATOM 0 H ILE B 10 8.472 9.762 -2.547 1.00 0.00 H new ATOM 0 HA ILE B 10 8.242 7.209 -1.467 1.00 0.00 H new ATOM 0 HB ILE B 10 6.202 9.217 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.160 8.378 0.271 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.616 9.853 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.473 7.976 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.165 7.036 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.635 6.670 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.929 10.283 1.129 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.290 10.622 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.828 9.125 0.346 1.00 0.00 H new ATOM 1247 N GLU B 11 7.264 7.426 -4.603 1.00 0.00 N ATOM 1248 CA GLU B 11 7.011 6.656 -5.818 1.00 0.00 C ATOM 1249 C GLU B 11 8.162 5.717 -6.095 1.00 0.00 C ATOM 1250 O GLU B 11 7.967 4.521 -6.262 1.00 0.00 O ATOM 1251 CB GLU B 11 6.801 7.591 -7.012 1.00 0.00 C ATOM 1252 CG GLU B 11 5.583 8.488 -6.889 1.00 0.00 C ATOM 1253 CD GLU B 11 4.317 7.702 -6.788 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.810 7.221 -7.824 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.808 7.518 -5.673 1.00 0.00 O ATOM 0 H GLU B 11 7.197 8.435 -4.735 1.00 0.00 H new ATOM 0 HA GLU B 11 6.105 6.069 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.687 8.214 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.708 6.991 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.687 9.122 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.531 9.149 -7.754 1.00 0.00 H new ATOM 1262 N ASN B 12 9.353 6.262 -6.084 1.00 0.00 N ATOM 1263 CA ASN B 12 10.575 5.505 -6.321 1.00 0.00 C ATOM 1264 C ASN B 12 10.760 4.368 -5.310 1.00 0.00 C ATOM 1265 O ASN B 12 10.989 3.214 -5.697 1.00 0.00 O ATOM 1266 CB ASN B 12 11.797 6.447 -6.324 1.00 0.00 C ATOM 1267 CG ASN B 12 13.121 5.702 -6.308 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.627 5.287 -7.348 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.717 5.590 -5.160 1.00 0.00 N ATOM 0 H ASN B 12 9.512 7.254 -5.909 1.00 0.00 H new ATOM 0 HA ASN B 12 10.487 5.040 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.756 7.084 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.745 7.103 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.634 5.147 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.269 5.946 -4.316 1.00 0.00 H new ATOM 1276 N LYS B 13 10.614 4.685 -4.039 1.00 0.00 N ATOM 1277 CA LYS B 13 10.830 3.723 -2.967 1.00 0.00 C ATOM 1278 C LYS B 13 9.733 2.634 -2.987 1.00 0.00 C ATOM 1279 O LYS B 13 10.004 1.451 -2.764 1.00 0.00 O ATOM 1280 CB LYS B 13 10.878 4.474 -1.622 1.00 0.00 C ATOM 1281 CG LYS B 13 11.558 3.724 -0.481 1.00 0.00 C ATOM 1282 CD LYS B 13 12.996 3.324 -0.844 1.00 0.00 C ATOM 1283 CE LYS B 13 13.910 4.505 -1.186 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.261 5.322 -0.010 1.00 0.00 N ATOM 0 H LYS B 13 10.343 5.614 -3.716 1.00 0.00 H new ATOM 0 HA LYS B 13 11.782 3.212 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.396 5.421 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.858 4.713 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.568 4.350 0.411 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.982 2.831 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.430 2.774 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.968 2.643 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.824 4.129 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.417 5.136 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.795 6.160 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 13.392 5.623 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.844 4.760 0.642 1.00 0.00 H new ATOM 1298 N LYS B 14 8.516 3.060 -3.285 1.00 0.00 N ATOM 1299 CA LYS B 14 7.357 2.206 -3.454 1.00 0.00 C ATOM 1300 C LYS B 14 7.625 1.207 -4.574 1.00 0.00 C ATOM 1301 O LYS B 14 7.438 0.022 -4.406 1.00 0.00 O ATOM 1302 CB LYS B 14 6.160 3.096 -3.829 1.00 0.00 C ATOM 1303 CG LYS B 14 4.818 2.403 -3.998 1.00 0.00 C ATOM 1304 CD LYS B 14 3.732 3.401 -4.427 1.00 0.00 C ATOM 1305 CE LYS B 14 3.950 3.909 -5.839 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.018 5.003 -6.204 1.00 0.00 N ATOM 0 H LYS B 14 8.303 4.048 -3.420 1.00 0.00 H new ATOM 0 HA LYS B 14 7.147 1.659 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.053 3.862 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.397 3.610 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.905 1.612 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.530 1.928 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.755 2.923 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.722 4.244 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.976 4.263 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.828 3.084 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.165 5.266 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.038 4.683 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.197 5.829 -5.598 1.00 0.00 H new ATOM 1320 N LYS B 15 8.105 1.709 -5.707 1.00 0.00 N ATOM 1321 CA LYS B 15 8.392 0.879 -6.875 1.00 0.00 C ATOM 1322 C LYS B 15 9.525 -0.100 -6.611 1.00 0.00 C ATOM 1323 O LYS B 15 9.544 -1.198 -7.175 1.00 0.00 O ATOM 1324 CB LYS B 15 8.665 1.738 -8.104 1.00 0.00 C ATOM 1325 CG LYS B 15 7.457 2.573 -8.517 1.00 0.00 C ATOM 1326 CD LYS B 15 7.768 3.523 -9.662 1.00 0.00 C ATOM 1327 CE LYS B 15 8.070 2.778 -10.963 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.923 1.964 -11.429 1.00 0.00 N ATOM 0 H LYS B 15 8.306 2.700 -5.843 1.00 0.00 H new ATOM 0 HA LYS B 15 7.502 0.283 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.507 2.400 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.958 1.095 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.644 1.909 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS B 15 7.106 3.146 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.922 4.193 -9.816 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.622 4.145 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.339 3.498 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.935 2.131 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.089 1.659 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.820 1.128 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.053 2.533 -11.386 1.00 0.00 H new ATOM 1342 N GLU B 16 10.460 0.289 -5.754 1.00 0.00 N ATOM 1343 CA GLU B 16 11.515 -0.620 -5.327 1.00 0.00 C ATOM 1344 C GLU B 16 10.898 -1.771 -4.553 1.00 0.00 C ATOM 1345 O GLU B 16 11.245 -2.934 -4.758 1.00 0.00 O ATOM 1346 CB GLU B 16 12.548 0.080 -4.439 1.00 0.00 C ATOM 1347 CG GLU B 16 13.440 1.091 -5.123 1.00 0.00 C ATOM 1348 CD GLU B 16 14.452 1.687 -4.167 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.319 0.939 -3.644 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.411 2.891 -3.917 1.00 0.00 O ATOM 0 H GLU B 16 10.510 1.221 -5.343 1.00 0.00 H new ATOM 0 HA GLU B 16 12.026 -0.982 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.019 0.582 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.180 -0.682 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.961 0.613 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.828 1.887 -5.547 1.00 0.00 H new ATOM 1357 N LEU B 17 9.957 -1.431 -3.699 1.00 0.00 N ATOM 1358 CA LEU B 17 9.268 -2.384 -2.869 1.00 0.00 C ATOM 1359 C LEU B 17 8.377 -3.293 -3.690 1.00 0.00 C ATOM 1360 O LEU B 17 8.375 -4.502 -3.479 1.00 0.00 O ATOM 1361 CB LEU B 17 8.495 -1.644 -1.741 1.00 0.00 C ATOM 1362 CG LEU B 17 7.445 -2.418 -0.914 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.138 -2.567 -1.647 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.986 -3.745 -0.401 1.00 0.00 C ATOM 0 H LEU B 17 9.647 -0.469 -3.563 1.00 0.00 H new ATOM 0 HA LEU B 17 10.002 -3.035 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.233 -1.246 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.991 -0.790 -2.194 1.00 0.00 H new ATOM 0 HG LEU B 17 7.230 -1.814 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.433 -3.118 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.732 -1.581 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.303 -3.111 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.214 -4.255 0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.280 -4.369 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.852 -3.563 0.235 1.00 0.00 H new ATOM 1376 N ILE B 18 7.622 -2.710 -4.606 1.00 0.00 N ATOM 1377 CA ILE B 18 6.693 -3.460 -5.447 1.00 0.00 C ATOM 1378 C ILE B 18 7.418 -4.592 -6.145 1.00 0.00 C ATOM 1379 O ILE B 18 6.960 -5.727 -6.153 1.00 0.00 O ATOM 1380 CB ILE B 18 6.023 -2.548 -6.512 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.184 -1.474 -5.829 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.157 -3.370 -7.479 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.703 -0.387 -6.757 1.00 0.00 C ATOM 0 H ILE B 18 7.633 -1.707 -4.790 1.00 0.00 H new ATOM 0 HA ILE B 18 5.915 -3.862 -4.798 1.00 0.00 H new ATOM 0 HB ILE B 18 6.810 -2.067 -7.093 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.320 -1.946 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.772 -1.022 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.701 -2.706 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.780 -4.104 -7.991 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.375 -3.884 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.114 0.337 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.561 0.113 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.086 -0.825 -7.542 1.00 0.00 H new ATOM 1395 N GLN B 19 8.584 -4.279 -6.658 1.00 0.00 N ATOM 1396 CA GLN B 19 9.379 -5.238 -7.370 1.00 0.00 C ATOM 1397 C GLN B 19 10.006 -6.261 -6.430 1.00 0.00 C ATOM 1398 O GLN B 19 10.309 -7.376 -6.835 1.00 0.00 O ATOM 1399 CB GLN B 19 10.405 -4.533 -8.223 1.00 0.00 C ATOM 1400 CG GLN B 19 9.762 -3.647 -9.279 1.00 0.00 C ATOM 1401 CD GLN B 19 10.756 -2.864 -10.086 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.217 -3.311 -11.139 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.091 -1.703 -9.615 1.00 0.00 N ATOM 0 H GLN B 19 9.004 -3.352 -6.591 1.00 0.00 H new ATOM 0 HA GLN B 19 8.726 -5.802 -8.036 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.050 -3.927 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.041 -5.273 -8.710 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.168 -4.267 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.075 -2.955 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.685 -1.371 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN B 19 11.760 -1.122 -10.120 1.00 0.00 H new ATOM 1412 N LEU B 20 10.163 -5.893 -5.171 1.00 0.00 N ATOM 1413 CA LEU B 20 10.649 -6.825 -4.167 1.00 0.00 C ATOM 1414 C LEU B 20 9.555 -7.834 -3.829 1.00 0.00 C ATOM 1415 O LEU B 20 9.806 -9.037 -3.815 1.00 0.00 O ATOM 1416 CB LEU B 20 11.153 -6.115 -2.902 1.00 0.00 C ATOM 1417 CG LEU B 20 12.393 -5.225 -3.063 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.756 -4.584 -1.746 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.575 -6.021 -3.604 1.00 0.00 C ATOM 0 H LEU B 20 9.962 -4.957 -4.819 1.00 0.00 H new ATOM 0 HA LEU B 20 11.507 -7.350 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.342 -5.502 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.373 -6.873 -2.150 1.00 0.00 H new ATOM 0 HG LEU B 20 12.153 -4.442 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.637 -3.956 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.924 -3.973 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.970 -5.360 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.439 -5.364 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.815 -6.830 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.318 -6.438 -4.578 1.00 0.00 H new ATOM 1431 N VAL B 21 8.334 -7.342 -3.564 1.00 0.00 N ATOM 1432 CA VAL B 21 7.179 -8.237 -3.363 1.00 0.00 C ATOM 1433 C VAL B 21 6.948 -9.092 -4.631 1.00 0.00 C ATOM 1434 O VAL B 21 6.581 -10.266 -4.558 1.00 0.00 O ATOM 1435 CB VAL B 21 5.884 -7.443 -3.065 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.732 -8.374 -2.704 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.118 -6.431 -1.969 1.00 0.00 C ATOM 0 H VAL B 21 8.121 -6.348 -3.485 1.00 0.00 H new ATOM 0 HA VAL B 21 7.406 -8.872 -2.507 1.00 0.00 H new ATOM 0 HB VAL B 21 5.606 -6.908 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.838 -7.785 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.538 -9.052 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.995 -8.952 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.195 -5.884 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.433 -6.945 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.895 -5.733 -2.279 1.00 0.00 H new ATOM 1447 N ALA B 22 7.186 -8.489 -5.777 1.00 0.00 N ATOM 1448 CA ALA B 22 7.035 -9.143 -7.060 1.00 0.00 C ATOM 1449 C ALA B 22 7.986 -10.319 -7.200 1.00 0.00 C ATOM 1450 O ALA B 22 7.557 -11.454 -7.490 1.00 0.00 O ATOM 1451 CB ALA B 22 7.271 -8.153 -8.181 1.00 0.00 C ATOM 0 H ALA B 22 7.494 -7.519 -5.845 1.00 0.00 H new ATOM 0 HA ALA B 22 6.016 -9.524 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.155 -8.656 -9.141 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.548 -7.341 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.280 -7.749 -8.103 1.00 0.00 H new ATOM 1457 N ARG B 23 9.267 -10.068 -6.948 1.00 0.00 N ATOM 1458 CA ARG B 23 10.310 -11.084 -7.094 1.00 0.00 C ATOM 1459 C ARG B 23 10.219 -12.161 -6.011 1.00 0.00 C ATOM 1460 O ARG B 23 10.973 -13.128 -6.025 1.00 0.00 O ATOM 1461 CB ARG B 23 11.705 -10.447 -7.132 1.00 0.00 C ATOM 1462 CG ARG B 23 12.112 -9.760 -5.851 1.00 0.00 C ATOM 1463 CD ARG B 23 13.386 -8.947 -6.020 1.00 0.00 C ATOM 1464 NE ARG B 23 14.508 -9.739 -6.523 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.798 -9.531 -6.228 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.153 -8.560 -5.384 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.726 -10.279 -6.792 1.00 0.00 N ATOM 0 H ARG B 23 9.613 -9.160 -6.638 1.00 0.00 H new ATOM 0 HA ARG B 23 10.142 -11.580 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.438 -11.220 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.738 -9.722 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.306 -9.106 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.259 -10.506 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.195 -8.121 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.660 -8.508 -5.061 1.00 0.00 H new ATOM 0 HE ARG B 23 14.290 -10.513 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.440 -7.969 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.138 -8.409 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.460 -11.012 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.710 -10.125 -6.571 1.00 0.00 H new ATOM 1481 N HIS B 24 9.308 -11.968 -5.060 1.00 0.00 N ATOM 1482 CA HIS B 24 9.009 -12.982 -4.072 1.00 0.00 C ATOM 1483 C HIS B 24 8.396 -14.202 -4.769 1.00 0.00 C ATOM 1484 O HIS B 24 8.677 -15.343 -4.411 1.00 0.00 O ATOM 1485 CB HIS B 24 8.046 -12.429 -2.988 1.00 0.00 C ATOM 1486 CG HIS B 24 7.458 -13.493 -2.092 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.017 -14.181 -1.072 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.184 -14.002 -2.236 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 7.102 -15.112 -0.594 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 6.020 -14.961 -1.328 1.00 0.00 N flip ATOM 0 H HIS B 24 8.765 -11.110 -4.959 1.00 0.00 H new ATOM 0 HA HIS B 24 9.932 -13.278 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.583 -11.706 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.234 -11.891 -3.477 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.449 -13.679 -2.958 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.249 -15.814 0.213 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.166 -15.508 -1.215 1.00 0.00 H new ATOM 1498 N GLY B 25 7.587 -13.940 -5.766 1.00 0.00 N ATOM 1499 CA GLY B 25 6.947 -15.007 -6.490 1.00 0.00 C ATOM 1500 C GLY B 25 5.589 -14.607 -6.991 1.00 0.00 C ATOM 1501 O GLY B 25 4.669 -15.422 -7.051 1.00 0.00 O ATOM 0 H GLY B 25 7.358 -13.001 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.573 -15.301 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.853 -15.879 -5.843 1.00 0.00 H new ATOM 1505 N LEU B 26 5.437 -13.348 -7.330 1.00 0.00 N ATOM 1506 CA LEU B 26 4.183 -12.883 -7.849 1.00 0.00 C ATOM 1507 C LEU B 26 4.136 -12.969 -9.339 1.00 0.00 C ATOM 1508 O LEU B 26 5.167 -12.880 -10.029 1.00 0.00 O ATOM 1509 CB LEU B 26 3.876 -11.443 -7.437 1.00 0.00 C ATOM 1510 CG LEU B 26 3.546 -11.202 -5.981 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.079 -9.775 -5.730 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.576 -12.231 -5.415 1.00 0.00 C ATOM 0 H LEU B 26 6.163 -12.636 -7.255 1.00 0.00 H new ATOM 0 HA LEU B 26 3.429 -13.541 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.736 -10.826 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.038 -11.090 -8.037 1.00 0.00 H new ATOM 0 HG LEU B 26 4.479 -11.334 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.853 -9.647 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.866 -9.078 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.183 -9.576 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.377 -12.006 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.642 -12.198 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.013 -13.226 -5.496 1.00 0.00 H new ATOM 1524 N ASP B 27 2.947 -13.153 -9.826 1.00 0.00 N ATOM 1525 CA ASP B 27 2.671 -13.095 -11.251 1.00 0.00 C ATOM 1526 C ASP B 27 2.642 -11.633 -11.580 1.00 0.00 C ATOM 1527 O ASP B 27 2.455 -10.820 -10.670 1.00 0.00 O ATOM 1528 CB ASP B 27 1.275 -13.661 -11.587 1.00 0.00 C ATOM 1529 CG ASP B 27 1.013 -15.041 -11.054 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.453 -16.034 -11.669 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.346 -15.165 -10.002 1.00 0.00 O ATOM 0 H ASP B 27 2.127 -13.350 -9.252 1.00 0.00 H new ATOM 0 HA ASP B 27 3.414 -13.671 -11.802 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.518 -12.984 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.155 -13.676 -12.670 1.00 0.00 H new ATOM 1536 N HIS B 28 2.778 -11.268 -12.828 1.00 0.00 N ATOM 1537 CA HIS B 28 2.712 -9.852 -13.180 1.00 0.00 C ATOM 1538 C HIS B 28 1.365 -9.246 -12.839 1.00 0.00 C ATOM 1539 O HIS B 28 1.289 -8.075 -12.485 1.00 0.00 O ATOM 1540 CB HIS B 28 3.138 -9.562 -14.621 1.00 0.00 C ATOM 1541 CG HIS B 28 4.626 -9.613 -14.808 1.00 0.00 C ATOM 1542 ND1 HIS B 28 5.447 -8.502 -14.751 1.00 0.00 N ATOM 1543 CD2 HIS B 28 5.444 -10.665 -15.028 1.00 0.00 C ATOM 1544 CE1 HIS B 28 6.702 -8.904 -14.929 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.759 -10.216 -15.102 1.00 0.00 N ATOM 0 H HIS B 28 2.932 -11.905 -13.610 1.00 0.00 H new ATOM 0 HA HIS B 28 3.453 -9.353 -12.556 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.668 -10.285 -15.287 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.773 -8.577 -14.912 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.127 -11.692 -15.130 1.00 0.00 H new ATOM 0 HE1 HIS B 28 7.560 -8.248 -14.932 1.00 0.00 H new ATOM 0 HE2 HIS B 28 7.594 -10.781 -15.257 1.00 0.00 H new ATOM 1553 N ASP B 29 0.318 -10.070 -12.875 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.024 -9.654 -12.478 1.00 0.00 C ATOM 1555 C ASP B 29 -1.061 -9.326 -11.009 1.00 0.00 C ATOM 1556 O ASP B 29 -1.640 -8.323 -10.612 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.064 -10.727 -12.791 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.320 -10.885 -14.254 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.186 -10.165 -14.795 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -1.664 -11.726 -14.905 1.00 0.00 O ATOM 0 H ASP B 29 0.377 -11.042 -13.180 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.271 -8.763 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -1.729 -11.680 -12.382 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.999 -10.476 -12.290 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.412 -10.169 -10.210 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.302 -9.968 -8.768 1.00 0.00 C ATOM 1567 C LYS B 30 0.361 -8.623 -8.488 1.00 0.00 C ATOM 1568 O LYS B 30 -0.125 -7.842 -7.683 1.00 0.00 O ATOM 1569 CB LYS B 30 0.556 -11.065 -8.157 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.016 -12.469 -8.165 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.192 -12.645 -7.225 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.604 -14.122 -7.132 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.847 -14.753 -8.448 1.00 0.00 N ATOM 0 H LYS B 30 0.053 -11.013 -10.545 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.301 -9.993 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.509 -11.084 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.770 -10.792 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.330 -12.720 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.768 -13.174 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.929 -12.274 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.035 -12.050 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.823 -14.676 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.508 -14.201 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.525 -15.534 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.236 -14.047 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.952 -15.122 -8.827 1.00 0.00 H new ATOM 1587 N VAL B 31 1.464 -8.364 -9.203 1.00 0.00 N ATOM 1588 CA VAL B 31 2.225 -7.129 -9.096 1.00 0.00 C ATOM 1589 C VAL B 31 1.333 -5.932 -9.414 1.00 0.00 C ATOM 1590 O VAL B 31 1.350 -4.937 -8.706 1.00 0.00 O ATOM 1591 CB VAL B 31 3.427 -7.138 -10.084 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.288 -5.894 -9.936 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.265 -8.386 -9.911 1.00 0.00 C ATOM 0 H VAL B 31 1.852 -9.021 -9.880 1.00 0.00 H new ATOM 0 HA VAL B 31 2.598 -7.050 -8.075 1.00 0.00 H new ATOM 0 HB VAL B 31 3.013 -7.137 -11.092 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.116 -5.939 -10.643 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.686 -5.008 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.680 -5.842 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.098 -8.365 -10.614 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.651 -8.427 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.651 -9.266 -10.102 1.00 0.00 H new ATOM 1603 N LEU B 32 0.544 -6.056 -10.467 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.375 -5.005 -10.895 1.00 0.00 C ATOM 1605 C LEU B 32 -1.397 -4.704 -9.822 1.00 0.00 C ATOM 1606 O LEU B 32 -1.575 -3.553 -9.430 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.086 -5.414 -12.172 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.191 -5.653 -13.373 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.999 -6.131 -14.540 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.590 -4.401 -13.726 1.00 0.00 C ATOM 0 H LEU B 32 0.519 -6.890 -11.054 1.00 0.00 H new ATOM 0 HA LEU B 32 0.212 -4.105 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.651 -6.325 -11.976 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.809 -4.639 -12.428 1.00 0.00 H new ATOM 0 HG LEU B 32 0.529 -6.430 -13.115 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.342 -6.298 -15.394 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.499 -7.064 -14.279 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.745 -5.380 -14.798 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.224 -4.599 -14.590 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.104 -3.594 -13.962 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.212 -4.109 -12.880 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.027 -5.741 -9.319 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.051 -5.601 -8.303 1.00 0.00 C ATOM 1624 C LEU B 33 -2.455 -5.021 -7.029 1.00 0.00 C ATOM 1625 O LEU B 33 -3.043 -4.131 -6.406 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.699 -6.948 -8.023 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.321 -7.657 -9.232 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.790 -9.046 -8.860 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.464 -6.844 -9.820 1.00 0.00 C ATOM 0 H LEU B 33 -1.846 -6.705 -9.600 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.817 -4.916 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.948 -7.607 -7.587 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.475 -6.807 -7.271 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.548 -7.750 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.227 -9.529 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.943 -9.634 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.538 -8.978 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.884 -7.373 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.237 -6.704 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.091 -5.872 -10.142 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.275 -5.505 -6.673 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.574 -5.033 -5.502 1.00 0.00 C ATOM 1643 C PHE B 34 -0.177 -3.573 -5.656 1.00 0.00 C ATOM 1644 O PHE B 34 -0.517 -2.758 -4.819 1.00 0.00 O ATOM 1645 CB PHE B 34 0.666 -5.902 -5.205 1.00 0.00 C ATOM 1646 CG PHE B 34 1.469 -5.419 -4.026 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.024 -5.638 -2.734 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.652 -4.716 -4.215 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.746 -5.173 -1.657 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.370 -4.248 -3.140 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.916 -4.473 -1.863 1.00 0.00 C ATOM 0 H PHE B 34 -0.783 -6.234 -7.190 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.255 -5.115 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.346 -6.927 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.306 -5.922 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.103 -6.178 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.012 -4.535 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.396 -5.357 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.290 -3.704 -3.299 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.477 -4.101 -1.018 1.00 0.00 H new ATOM 1661 N SER B 35 0.499 -3.251 -6.749 1.00 0.00 N ATOM 1662 CA SER B 35 1.014 -1.910 -6.984 1.00 0.00 C ATOM 1663 C SER B 35 -0.077 -0.854 -6.993 1.00 0.00 C ATOM 1664 O SER B 35 0.120 0.243 -6.470 1.00 0.00 O ATOM 1665 CB SER B 35 1.834 -1.853 -8.278 1.00 0.00 C ATOM 1666 OG SER B 35 1.093 -2.328 -9.387 1.00 0.00 O ATOM 0 H SER B 35 0.706 -3.912 -7.498 1.00 0.00 H new ATOM 0 HA SER B 35 1.670 -1.680 -6.144 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.150 -0.827 -8.464 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.739 -2.449 -8.162 1.00 0.00 H new ATOM 0 HG SER B 35 1.048 -3.306 -9.355 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.225 -1.181 -7.557 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.298 -0.223 -7.621 1.00 0.00 C ATOM 1674 C ARG B 36 -3.014 -0.096 -6.282 1.00 0.00 C ATOM 1675 O ARG B 36 -3.380 1.003 -5.886 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.258 -0.511 -8.780 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.063 -1.790 -8.674 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.749 -2.103 -9.991 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.544 -0.966 -10.489 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.647 -0.600 -11.779 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -4.877 -1.171 -12.702 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -6.467 0.385 -12.129 1.00 0.00 N ATOM 0 H ARG B 36 -1.431 -2.091 -7.970 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.854 0.750 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.952 0.325 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.681 -0.544 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.408 -2.615 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.808 -1.692 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -3.999 -2.373 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.398 -2.970 -9.864 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.056 -0.414 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.205 -1.890 -12.432 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -4.959 -0.890 -13.679 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.020 0.865 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -6.544 0.661 -13.108 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.167 -1.208 -5.554 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.827 -1.156 -4.245 1.00 0.00 C ATOM 1698 C ASP B 37 -2.924 -0.424 -3.267 1.00 0.00 C ATOM 1699 O ASP B 37 -3.379 0.393 -2.475 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.129 -2.553 -3.726 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.048 -2.542 -2.515 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.603 -2.274 -1.406 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.271 -2.809 -2.682 1.00 0.00 O ATOM 0 H ASP B 37 -2.851 -2.135 -5.840 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.774 -0.627 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.589 -3.140 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.194 -3.049 -3.464 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.633 -0.713 -3.369 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.590 -0.056 -2.594 1.00 0.00 C ATOM 1710 C LEU B 38 -0.571 1.433 -2.882 1.00 0.00 C ATOM 1711 O LEU B 38 -0.482 2.247 -1.964 1.00 0.00 O ATOM 1712 CB LEU B 38 0.773 -0.676 -2.937 1.00 0.00 C ATOM 1713 CG LEU B 38 2.025 0.058 -2.449 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.047 0.194 -0.950 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.265 -0.653 -2.926 1.00 0.00 C ATOM 0 H LEU B 38 -1.275 -1.425 -4.006 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.796 -0.198 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.795 -1.687 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.838 -0.768 -4.021 1.00 0.00 H new ATOM 0 HG LEU B 38 2.002 1.063 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.952 0.720 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.172 0.756 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.033 -0.796 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.148 -0.121 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.274 -1.671 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.271 -0.682 -4.016 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.672 1.779 -4.156 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.675 3.170 -4.584 1.00 0.00 C ATOM 1729 C ASP B 39 -1.835 3.897 -3.945 1.00 0.00 C ATOM 1730 O ASP B 39 -1.687 5.019 -3.444 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.760 3.270 -6.108 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.671 4.686 -6.604 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.378 5.320 -6.398 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.624 5.173 -7.250 1.00 0.00 O ATOM 0 H ASP B 39 -0.754 1.107 -4.919 1.00 0.00 H new ATOM 0 HA ASP B 39 0.258 3.635 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.044 2.683 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.699 2.830 -6.445 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.977 3.223 -3.911 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.152 3.766 -3.284 1.00 0.00 C ATOM 1741 C LYS B 40 -3.969 3.868 -1.789 1.00 0.00 C ATOM 1742 O LYS B 40 -4.270 4.888 -1.223 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.404 2.952 -3.582 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.754 2.841 -5.052 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.141 2.247 -5.257 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.238 3.206 -4.796 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.160 4.512 -5.492 1.00 0.00 N ATOM 0 H LYS B 40 -3.104 2.295 -4.315 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.289 4.761 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.273 1.948 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.246 3.401 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.709 3.828 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.014 2.220 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.284 2.010 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.221 1.310 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.214 2.756 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.155 3.362 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.112 4.801 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.771 5.227 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.542 4.426 -6.324 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.468 2.802 -1.157 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.243 2.772 0.293 1.00 0.00 C ATOM 1763 C LEU B 41 -2.351 3.922 0.733 1.00 0.00 C ATOM 1764 O LEU B 41 -2.625 4.588 1.745 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.651 1.416 0.739 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.258 1.294 2.226 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.429 1.602 3.137 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.709 -0.091 2.528 1.00 0.00 C ATOM 0 H LEU B 41 -3.208 1.938 -1.633 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.211 2.891 0.779 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.377 0.635 0.513 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.767 1.214 0.134 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.478 2.030 2.418 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.116 1.506 4.177 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.774 2.620 2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.240 0.902 2.936 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.439 -0.153 3.582 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.468 -0.840 2.303 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.826 -0.274 1.916 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.323 4.174 -0.039 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.425 5.256 0.236 1.00 0.00 C ATOM 1782 C ILE B 42 -1.144 6.585 0.109 1.00 0.00 C ATOM 1783 O ILE B 42 -1.284 7.296 1.096 1.00 0.00 O ATOM 1784 CB ILE B 42 0.846 5.211 -0.659 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.659 3.973 -0.309 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.688 6.468 -0.478 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.927 3.812 -1.099 1.00 0.00 C ATOM 0 H ILE B 42 -1.090 3.634 -0.872 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.082 5.144 1.265 1.00 0.00 H new ATOM 0 HB ILE B 42 0.541 5.165 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.909 4.007 0.751 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.037 3.091 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.570 6.410 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.099 7.343 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.998 6.551 0.564 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.440 2.904 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.688 3.743 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.574 4.673 -0.928 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.676 6.870 -1.074 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.352 8.154 -1.356 1.00 0.00 C ATOM 1801 C ASN B 43 -3.518 8.401 -0.397 1.00 0.00 C ATOM 1802 O ASN B 43 -3.797 9.551 -0.018 1.00 0.00 O ATOM 1803 CB ASN B 43 -2.828 8.237 -2.818 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.685 8.226 -3.836 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -0.555 8.653 -3.552 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.966 7.751 -5.022 1.00 0.00 N ATOM 0 H ASN B 43 -1.657 6.229 -1.868 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.613 8.940 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.494 7.399 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.412 9.148 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.246 7.724 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.905 7.407 -5.224 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.159 7.313 0.007 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.246 7.301 0.980 1.00 0.00 C ATOM 1815 C LYS B 44 -4.766 7.896 2.294 1.00 0.00 C ATOM 1816 O LYS B 44 -5.377 8.812 2.841 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.667 5.846 1.214 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.828 5.614 2.167 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.001 4.116 2.471 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.199 3.275 1.204 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.394 1.825 1.501 1.00 0.00 N ATOM 0 H LYS B 44 -3.930 6.383 -0.344 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.085 7.888 0.606 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.926 5.408 0.250 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.803 5.299 1.591 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.656 6.159 3.095 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.746 6.009 1.731 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.124 3.755 3.009 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.858 3.980 3.130 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.064 3.649 0.656 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.333 3.395 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.523 1.303 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.559 1.458 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.236 1.703 2.099 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.657 7.384 2.776 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.083 7.827 4.025 1.00 0.00 C ATOM 1837 C PHE B 45 -2.419 9.171 3.925 1.00 0.00 C ATOM 1838 O PHE B 45 -2.439 9.947 4.887 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.146 6.792 4.596 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.842 5.841 5.495 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.570 4.771 5.000 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.782 6.039 6.852 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.223 3.912 5.860 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.434 5.190 7.720 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.154 4.120 7.223 1.00 0.00 C ATOM 0 H PHE B 45 -3.127 6.647 2.312 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.916 7.950 4.717 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.676 6.241 3.781 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.348 7.291 5.146 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.627 4.608 3.934 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.216 6.871 7.245 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.787 3.079 5.468 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.382 5.360 8.785 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.661 3.448 7.899 1.00 0.00 H new ATOM 1855 N MET B 46 -1.853 9.464 2.765 1.00 0.00 N ATOM 1856 CA MET B 46 -1.227 10.759 2.522 1.00 0.00 C ATOM 1857 C MET B 46 -2.309 11.822 2.560 1.00 0.00 C ATOM 1858 O MET B 46 -2.061 12.971 2.932 1.00 0.00 O ATOM 1859 CB MET B 46 -0.555 10.802 1.150 1.00 0.00 C ATOM 1860 CG MET B 46 0.400 9.664 0.888 1.00 0.00 C ATOM 1861 SD MET B 46 1.360 9.883 -0.601 1.00 0.00 S ATOM 1862 CE MET B 46 2.486 11.113 -0.017 1.00 0.00 C ATOM 0 H MET B 46 -1.813 8.822 1.973 1.00 0.00 H new ATOM 0 HA MET B 46 -0.468 10.931 3.285 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.327 10.797 0.381 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.014 11.744 1.053 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.076 9.562 1.737 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.164 8.734 0.816 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.361 11.142 -0.666 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.996 12.087 -0.023 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.796 10.869 0.999 1.00 0.00 H new