USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 19 TYR OH : rot 166:sc= 0.998 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -158:sc= 1.16 (180deg=-0.387) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0376) USER MOD Single : A 7 ASN : amide:sc= 0.114 X(o=0.11,f=-0.0083) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc=-0.00733 (180deg=-0.961!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc=-0.00333 (180deg=-0.0572) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-4.1!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00617) USER MOD Single : A 33 SER OG : rot 76:sc= 1.02 USER MOD Single : A 35 SER OG : rot 70:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= -0.941 X(o=-0.94,f=-0.89) USER MOD Single : A 43 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.487 -4.640 -4.015 1.00 0.00 N ATOM 35 CA VAL A 3 9.287 -3.843 -3.727 1.00 0.00 C ATOM 36 C VAL A 3 8.016 -4.409 -4.389 1.00 0.00 C ATOM 37 O VAL A 3 6.893 -4.029 -4.043 1.00 0.00 O ATOM 38 CB VAL A 3 9.466 -2.372 -4.152 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.536 -1.702 -3.310 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.814 -2.276 -5.634 1.00 0.00 C ATOM 0 HA VAL A 3 9.157 -3.896 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 3 8.522 -1.852 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.649 -0.664 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.246 -1.734 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.483 -2.226 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.936 -1.229 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.743 -2.813 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.012 -2.718 -6.225 1.00 0.00 H new ATOM 50 N THR A 4 8.192 -5.303 -5.334 1.00 0.00 N ATOM 51 CA THR A 4 7.082 -5.938 -6.021 1.00 0.00 C ATOM 52 C THR A 4 6.161 -6.702 -5.034 1.00 0.00 C ATOM 53 O THR A 4 4.956 -6.778 -5.249 1.00 0.00 O ATOM 54 CB THR A 4 7.578 -6.872 -7.164 1.00 0.00 C ATOM 55 OG1 THR A 4 6.474 -7.400 -7.914 1.00 0.00 O ATOM 56 CG2 THR A 4 8.398 -8.015 -6.612 1.00 0.00 C ATOM 0 H THR A 4 9.110 -5.614 -5.652 1.00 0.00 H new ATOM 0 HA THR A 4 6.489 -5.145 -6.476 1.00 0.00 H new ATOM 0 HB THR A 4 8.203 -6.271 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.811 -7.982 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.732 -8.652 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.265 -7.619 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.789 -8.600 -5.923 1.00 0.00 H new ATOM 64 N LYS A 5 6.720 -7.195 -3.920 1.00 0.00 N ATOM 65 CA LYS A 5 5.909 -7.924 -2.934 1.00 0.00 C ATOM 66 C LYS A 5 4.917 -6.977 -2.249 1.00 0.00 C ATOM 67 O LYS A 5 3.817 -7.376 -1.843 1.00 0.00 O ATOM 68 CB LYS A 5 6.778 -8.676 -1.896 1.00 0.00 C ATOM 69 CG LYS A 5 7.637 -7.791 -0.994 1.00 0.00 C ATOM 70 CD LYS A 5 8.506 -8.616 -0.032 1.00 0.00 C ATOM 71 CE LYS A 5 7.682 -9.435 0.966 1.00 0.00 C ATOM 72 NZ LYS A 5 6.895 -8.585 1.886 1.00 0.00 N ATOM 0 H LYS A 5 7.708 -7.106 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 5 5.345 -8.684 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.122 -9.278 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.432 -9.367 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.278 -7.160 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.992 -7.126 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.140 -9.289 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.169 -7.946 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.008 -10.095 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.349 -10.072 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.423 -9.184 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.528 -7.915 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.180 -8.058 1.345 1.00 0.00 H new ATOM 86 N LEU A 6 5.286 -5.718 -2.159 1.00 0.00 N ATOM 87 CA LEU A 6 4.424 -4.727 -1.567 1.00 0.00 C ATOM 88 C LEU A 6 3.321 -4.395 -2.563 1.00 0.00 C ATOM 89 O LEU A 6 2.191 -4.124 -2.191 1.00 0.00 O ATOM 90 CB LEU A 6 5.228 -3.483 -1.200 1.00 0.00 C ATOM 91 CG LEU A 6 4.509 -2.406 -0.380 1.00 0.00 C ATOM 92 CD1 LEU A 6 3.971 -2.974 0.928 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.461 -1.271 -0.092 1.00 0.00 C ATOM 0 H LEU A 6 6.181 -5.359 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 6 3.978 -5.111 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.109 -3.801 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.583 -3.025 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 6 3.663 -2.040 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.467 -2.186 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.264 -3.776 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.797 -3.367 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.949 -0.506 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.315 -1.646 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.808 -0.840 -1.031 1.00 0.00 H new ATOM 105 N ASN A 7 3.660 -4.485 -3.839 1.00 0.00 N ATOM 106 CA ASN A 7 2.702 -4.261 -4.920 1.00 0.00 C ATOM 107 C ASN A 7 1.679 -5.368 -4.951 1.00 0.00 C ATOM 108 O ASN A 7 0.516 -5.142 -5.290 1.00 0.00 O ATOM 109 CB ASN A 7 3.381 -4.142 -6.284 1.00 0.00 C ATOM 110 CG ASN A 7 4.062 -2.815 -6.503 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.460 -1.885 -7.031 1.00 0.00 O ATOM 112 ND2 ASN A 7 5.303 -2.701 -6.099 1.00 0.00 N ATOM 0 H ASN A 7 4.601 -4.714 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 7 2.208 -3.311 -4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.116 -4.940 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.637 -4.293 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.799 -1.818 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.773 -3.495 -5.664 1.00 0.00 H new ATOM 119 N ASP A 8 2.120 -6.571 -4.586 1.00 0.00 N ATOM 120 CA ASP A 8 1.231 -7.725 -4.452 1.00 0.00 C ATOM 121 C ASP A 8 0.152 -7.393 -3.438 1.00 0.00 C ATOM 122 O ASP A 8 -1.037 -7.660 -3.663 1.00 0.00 O ATOM 123 CB ASP A 8 2.013 -8.969 -3.998 1.00 0.00 C ATOM 124 CG ASP A 8 1.148 -10.211 -3.876 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.566 -10.461 -2.795 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.038 -10.969 -4.857 1.00 0.00 O ATOM 0 H ASP A 8 3.097 -6.773 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 8 0.781 -7.946 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.817 -9.163 -4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.480 -8.764 -3.035 1.00 0.00 H new ATOM 131 N ARG A 9 0.579 -6.765 -2.331 1.00 0.00 N ATOM 132 CA ARG A 9 -0.349 -6.286 -1.312 1.00 0.00 C ATOM 133 C ARG A 9 -1.233 -5.182 -1.850 1.00 0.00 C ATOM 134 O ARG A 9 -2.412 -5.189 -1.601 1.00 0.00 O ATOM 135 CB ARG A 9 0.353 -5.788 -0.046 1.00 0.00 C ATOM 136 CG ARG A 9 0.924 -6.864 0.849 1.00 0.00 C ATOM 137 CD ARG A 9 1.480 -6.243 2.120 1.00 0.00 C ATOM 138 NE ARG A 9 1.919 -7.245 3.089 1.00 0.00 N ATOM 139 CZ ARG A 9 2.306 -6.979 4.347 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.318 -5.730 4.804 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.665 -7.967 5.147 1.00 0.00 N ATOM 0 H ARG A 9 1.561 -6.581 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.956 -7.150 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.161 -5.118 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.357 -5.197 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.150 -7.590 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.712 -7.405 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.319 -5.596 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.717 -5.612 2.576 1.00 0.00 H new ATOM 0 HE ARG A 9 1.932 -8.219 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.031 -4.962 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.614 -5.540 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.648 -8.929 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.959 -7.768 6.103 1.00 0.00 H new ATOM 155 N ILE A 10 -0.653 -4.249 -2.599 1.00 0.00 N ATOM 156 CA ILE A 10 -1.409 -3.129 -3.180 1.00 0.00 C ATOM 157 C ILE A 10 -2.577 -3.649 -4.014 1.00 0.00 C ATOM 158 O ILE A 10 -3.727 -3.288 -3.763 1.00 0.00 O ATOM 159 CB ILE A 10 -0.507 -2.197 -4.046 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.570 -1.542 -3.169 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.343 -1.130 -4.757 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.514 -0.625 -3.916 1.00 0.00 C ATOM 0 H ILE A 10 0.342 -4.241 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.793 -2.536 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.019 -2.803 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.081 -0.973 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.152 -2.326 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.690 -0.494 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.072 -1.613 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.863 -0.522 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.241 -0.206 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.035 -1.190 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.947 0.183 -4.378 1.00 0.00 H new ATOM 174 N GLU A 11 -2.275 -4.536 -4.950 1.00 0.00 N ATOM 175 CA GLU A 11 -3.287 -5.170 -5.787 1.00 0.00 C ATOM 176 C GLU A 11 -4.337 -5.872 -4.935 1.00 0.00 C ATOM 177 O GLU A 11 -5.536 -5.729 -5.166 1.00 0.00 O ATOM 178 CB GLU A 11 -2.637 -6.169 -6.741 1.00 0.00 C ATOM 179 CG GLU A 11 -1.816 -5.529 -7.845 1.00 0.00 C ATOM 180 CD GLU A 11 -2.668 -4.681 -8.755 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.581 -5.231 -9.401 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.428 -3.456 -8.868 1.00 0.00 O ATOM 0 H GLU A 11 -1.322 -4.838 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.780 -4.391 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.995 -6.838 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.416 -6.784 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.031 -4.914 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.323 -6.306 -8.429 1.00 0.00 H new ATOM 189 N ALA A 12 -3.876 -6.577 -3.925 1.00 0.00 N ATOM 190 CA ALA A 12 -4.744 -7.310 -3.028 1.00 0.00 C ATOM 191 C ALA A 12 -5.658 -6.373 -2.242 1.00 0.00 C ATOM 192 O ALA A 12 -6.839 -6.660 -2.052 1.00 0.00 O ATOM 193 CB ALA A 12 -3.919 -8.155 -2.084 1.00 0.00 C ATOM 0 H ALA A 12 -2.884 -6.659 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.378 -7.961 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.581 -8.703 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.319 -8.861 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.262 -7.511 -1.499 1.00 0.00 H new ATOM 199 N LYS A 13 -5.123 -5.231 -1.836 1.00 0.00 N ATOM 200 CA LYS A 13 -5.866 -4.267 -1.043 1.00 0.00 C ATOM 201 C LYS A 13 -6.865 -3.524 -1.908 1.00 0.00 C ATOM 202 O LYS A 13 -7.895 -3.091 -1.430 1.00 0.00 O ATOM 203 CB LYS A 13 -4.930 -3.302 -0.307 1.00 0.00 C ATOM 204 CG LYS A 13 -4.006 -3.982 0.710 1.00 0.00 C ATOM 205 CD LYS A 13 -4.718 -4.579 1.936 1.00 0.00 C ATOM 206 CE LYS A 13 -5.137 -3.530 2.981 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.308 -2.720 2.589 1.00 0.00 N ATOM 0 H LYS A 13 -4.166 -4.949 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.421 -4.814 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.320 -2.774 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.530 -2.552 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.456 -4.776 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.271 -3.255 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.603 -5.120 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.059 -5.307 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.358 -4.037 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.295 -2.864 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.672 -2.212 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.027 -2.034 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.050 -3.343 2.211 1.00 0.00 H new ATOM 221 N LYS A 14 -6.527 -3.353 -3.170 1.00 0.00 N ATOM 222 CA LYS A 14 -7.436 -2.762 -4.149 1.00 0.00 C ATOM 223 C LYS A 14 -8.617 -3.681 -4.379 1.00 0.00 C ATOM 224 O LYS A 14 -9.758 -3.249 -4.353 1.00 0.00 O ATOM 225 CB LYS A 14 -6.701 -2.483 -5.455 1.00 0.00 C ATOM 226 CG LYS A 14 -5.686 -1.375 -5.318 1.00 0.00 C ATOM 227 CD LYS A 14 -4.727 -1.286 -6.490 1.00 0.00 C ATOM 228 CE LYS A 14 -5.415 -0.979 -7.801 1.00 0.00 C ATOM 229 NZ LYS A 14 -6.129 0.317 -7.797 1.00 0.00 N ATOM 0 H LYS A 14 -5.619 -3.617 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.807 -1.813 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.200 -3.392 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.424 -2.217 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.209 -0.424 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.115 -1.527 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.986 -0.513 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.188 -2.229 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.674 -0.975 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.124 -1.776 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.492 0.516 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.923 0.274 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.475 1.073 -7.511 1.00 0.00 H new ATOM 243 N LYS A 15 -8.334 -4.962 -4.552 1.00 0.00 N ATOM 244 CA LYS A 15 -9.384 -5.971 -4.727 1.00 0.00 C ATOM 245 C LYS A 15 -10.233 -6.067 -3.461 1.00 0.00 C ATOM 246 O LYS A 15 -11.456 -6.260 -3.518 1.00 0.00 O ATOM 247 CB LYS A 15 -8.764 -7.329 -5.066 1.00 0.00 C ATOM 248 CG LYS A 15 -7.997 -7.332 -6.379 1.00 0.00 C ATOM 249 CD LYS A 15 -7.267 -8.645 -6.630 1.00 0.00 C ATOM 250 CE LYS A 15 -8.215 -9.824 -6.781 1.00 0.00 C ATOM 251 NZ LYS A 15 -7.482 -11.087 -7.026 1.00 0.00 N ATOM 0 H LYS A 15 -7.385 -5.335 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.027 -5.673 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.092 -7.624 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.554 -8.079 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.689 -7.143 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.276 -6.515 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.662 -8.553 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.582 -8.838 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.820 -9.923 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.902 -9.636 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.161 -11.869 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.925 -11.001 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.845 -11.279 -6.227 1.00 0.00 H new ATOM 265 N GLU A 16 -9.573 -5.935 -2.325 1.00 0.00 N ATOM 266 CA GLU A 16 -10.225 -5.903 -1.032 1.00 0.00 C ATOM 267 C GLU A 16 -11.143 -4.688 -0.959 1.00 0.00 C ATOM 268 O GLU A 16 -12.293 -4.797 -0.577 1.00 0.00 O ATOM 269 CB GLU A 16 -9.169 -5.822 0.069 1.00 0.00 C ATOM 270 CG GLU A 16 -9.722 -5.753 1.476 1.00 0.00 C ATOM 271 CD GLU A 16 -8.642 -5.558 2.498 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.080 -6.551 2.978 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.331 -4.400 2.846 1.00 0.00 O ATOM 0 H GLU A 16 -8.558 -5.846 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.815 -6.809 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.517 -6.692 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.549 -4.943 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.437 -4.933 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.267 -6.671 1.696 1.00 0.00 H new ATOM 280 N LEU A 17 -10.616 -3.545 -1.370 1.00 0.00 N ATOM 281 CA LEU A 17 -11.323 -2.274 -1.355 1.00 0.00 C ATOM 282 C LEU A 17 -12.586 -2.381 -2.213 1.00 0.00 C ATOM 283 O LEU A 17 -13.655 -1.971 -1.787 1.00 0.00 O ATOM 284 CB LEU A 17 -10.393 -1.173 -1.892 1.00 0.00 C ATOM 285 CG LEU A 17 -10.529 0.243 -1.306 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.532 1.167 -1.962 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.939 0.808 -1.429 1.00 0.00 C ATOM 0 H LEU A 17 -9.665 -3.474 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.617 -2.022 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.365 -1.500 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.546 -1.104 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.319 0.169 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.633 2.168 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.522 0.799 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.720 1.202 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.969 1.809 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.221 0.858 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.637 0.162 -0.897 1.00 0.00 H new ATOM 299 N ILE A 18 -12.454 -2.957 -3.410 1.00 0.00 N ATOM 300 CA ILE A 18 -13.600 -3.167 -4.309 1.00 0.00 C ATOM 301 C ILE A 18 -14.676 -3.997 -3.603 1.00 0.00 C ATOM 302 O ILE A 18 -15.857 -3.632 -3.597 1.00 0.00 O ATOM 303 CB ILE A 18 -13.174 -3.881 -5.624 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.150 -3.032 -6.381 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.393 -4.161 -6.510 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.595 -3.701 -7.614 1.00 0.00 C ATOM 0 H ILE A 18 -11.564 -3.288 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.000 -2.187 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.715 -4.835 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.616 -2.090 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.327 -2.789 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.072 -4.661 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.093 -4.801 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.882 -3.221 -6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.877 -3.038 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.099 -4.630 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.408 -3.920 -8.306 1.00 0.00 H new ATOM 318 N TYR A 19 -14.248 -5.083 -2.981 1.00 0.00 N ATOM 319 CA TYR A 19 -15.135 -5.947 -2.212 1.00 0.00 C ATOM 320 C TYR A 19 -15.792 -5.158 -1.070 1.00 0.00 C ATOM 321 O TYR A 19 -16.992 -5.271 -0.829 1.00 0.00 O ATOM 322 CB TYR A 19 -14.350 -7.162 -1.668 1.00 0.00 C ATOM 323 CG TYR A 19 -15.121 -8.018 -0.683 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.121 -8.886 -1.106 1.00 0.00 C ATOM 325 CD2 TYR A 19 -14.858 -7.931 0.679 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.835 -9.645 -0.196 1.00 0.00 C ATOM 327 CE2 TYR A 19 -15.567 -8.677 1.587 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.553 -9.531 1.152 1.00 0.00 C ATOM 329 OH TYR A 19 -17.277 -10.260 2.074 1.00 0.00 O ATOM 0 H TYR A 19 -13.276 -5.393 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.926 -6.315 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.042 -7.785 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.440 -6.804 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.344 -8.969 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.083 -7.265 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.606 -10.321 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.351 -8.593 2.642 1.00 0.00 H new ATOM 0 HH TYR A 19 -16.818 -10.241 2.940 1.00 0.00 H new ATOM 339 N LEU A 20 -14.997 -4.356 -0.395 1.00 0.00 N ATOM 340 CA LEU A 20 -15.467 -3.520 0.694 1.00 0.00 C ATOM 341 C LEU A 20 -16.509 -2.512 0.221 1.00 0.00 C ATOM 342 O LEU A 20 -17.504 -2.303 0.895 1.00 0.00 O ATOM 343 CB LEU A 20 -14.291 -2.835 1.394 1.00 0.00 C ATOM 344 CG LEU A 20 -13.353 -3.780 2.159 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.115 -3.048 2.630 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.076 -4.390 3.345 1.00 0.00 C ATOM 0 H LEU A 20 -13.999 -4.263 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.961 -4.163 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.708 -2.294 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.683 -2.094 2.091 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.046 -4.575 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.467 -3.739 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.581 -2.646 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.405 -2.231 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.400 -5.058 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.408 -3.597 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.940 -4.954 2.994 1.00 0.00 H new ATOM 358 N VAL A 21 -16.305 -1.925 -0.947 1.00 0.00 N ATOM 359 CA VAL A 21 -17.287 -1.002 -1.512 1.00 0.00 C ATOM 360 C VAL A 21 -18.598 -1.746 -1.787 1.00 0.00 C ATOM 361 O VAL A 21 -19.676 -1.241 -1.499 1.00 0.00 O ATOM 362 CB VAL A 21 -16.784 -0.310 -2.812 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.846 0.622 -3.369 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.512 0.471 -2.546 1.00 0.00 C ATOM 0 H VAL A 21 -15.475 -2.067 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.451 -0.214 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.575 -1.089 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.474 1.096 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.746 0.052 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -18.081 1.388 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -15.178 0.947 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.705 1.235 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.738 -0.206 -2.186 1.00 0.00 H new ATOM 374 N GLU A 22 -18.480 -2.964 -2.290 1.00 0.00 N ATOM 375 CA GLU A 22 -19.635 -3.823 -2.546 1.00 0.00 C ATOM 376 C GLU A 22 -20.406 -4.129 -1.256 1.00 0.00 C ATOM 377 O GLU A 22 -21.630 -4.239 -1.266 1.00 0.00 O ATOM 378 CB GLU A 22 -19.195 -5.138 -3.191 1.00 0.00 C ATOM 379 CG GLU A 22 -18.687 -5.012 -4.615 1.00 0.00 C ATOM 380 CD GLU A 22 -19.766 -4.574 -5.569 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.718 -5.355 -5.797 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.686 -3.458 -6.115 1.00 0.00 O ATOM 0 H GLU A 22 -17.585 -3.389 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.293 -3.283 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.410 -5.582 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.037 -5.830 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.867 -4.295 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.284 -5.971 -4.941 1.00 0.00 H new ATOM 389 N LYS A 23 -19.692 -4.265 -0.161 1.00 0.00 N ATOM 390 CA LYS A 23 -20.306 -4.588 1.117 1.00 0.00 C ATOM 391 C LYS A 23 -20.876 -3.342 1.783 1.00 0.00 C ATOM 392 O LYS A 23 -22.045 -3.316 2.185 1.00 0.00 O ATOM 393 CB LYS A 23 -19.281 -5.247 2.050 1.00 0.00 C ATOM 394 CG LYS A 23 -18.685 -6.546 1.521 1.00 0.00 C ATOM 395 CD LYS A 23 -19.705 -7.681 1.432 1.00 0.00 C ATOM 396 CE LYS A 23 -20.142 -8.171 2.811 1.00 0.00 C ATOM 397 NZ LYS A 23 -18.995 -8.671 3.606 1.00 0.00 N ATOM 0 H LYS A 23 -18.678 -4.157 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.123 -5.285 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.472 -4.541 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.758 -5.446 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.261 -6.368 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.864 -6.853 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.578 -7.340 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.275 -8.511 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.630 -7.358 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.880 -8.965 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.340 -9.317 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.336 -9.179 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.504 -7.869 4.049 1.00 0.00 H new ATOM 411 N TYR A 24 -20.079 -2.309 1.839 1.00 0.00 N ATOM 412 CA TYR A 24 -20.438 -1.095 2.544 1.00 0.00 C ATOM 413 C TYR A 24 -21.419 -0.217 1.774 1.00 0.00 C ATOM 414 O TYR A 24 -22.397 0.286 2.351 1.00 0.00 O ATOM 415 CB TYR A 24 -19.182 -0.335 2.991 1.00 0.00 C ATOM 416 CG TYR A 24 -18.477 -0.978 4.171 1.00 0.00 C ATOM 417 CD1 TYR A 24 -17.544 -1.989 3.995 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.762 -0.576 5.468 1.00 0.00 C ATOM 419 CE1 TYR A 24 -16.917 -2.577 5.072 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.140 -1.161 6.552 1.00 0.00 C ATOM 421 CZ TYR A 24 -17.217 -2.160 6.346 1.00 0.00 C ATOM 422 OH TYR A 24 -16.595 -2.753 7.425 1.00 0.00 O ATOM 0 H TYR A 24 -19.160 -2.279 1.398 1.00 0.00 H new ATOM 0 HA TYR A 24 -20.980 -1.394 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.488 -0.271 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.459 0.686 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -17.305 -2.321 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -19.484 0.210 5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -16.193 -3.363 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.376 -0.837 7.555 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.917 -2.343 8.255 1.00 0.00 H new ATOM 432 N GLY A 25 -21.199 -0.052 0.494 1.00 0.00 N ATOM 433 CA GLY A 25 -22.107 0.720 -0.302 1.00 0.00 C ATOM 434 C GLY A 25 -21.421 1.782 -1.122 1.00 0.00 C ATOM 435 O GLY A 25 -20.899 1.510 -2.206 1.00 0.00 O ATOM 0 H GLY A 25 -20.403 -0.441 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -22.654 0.053 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.842 1.192 0.351 1.00 0.00 H new ATOM 439 N PHE A 26 -21.407 2.981 -0.621 1.00 0.00 N ATOM 440 CA PHE A 26 -20.834 4.083 -1.349 1.00 0.00 C ATOM 441 C PHE A 26 -19.663 4.683 -0.615 1.00 0.00 C ATOM 442 O PHE A 26 -19.252 4.168 0.421 1.00 0.00 O ATOM 443 CB PHE A 26 -21.896 5.120 -1.738 1.00 0.00 C ATOM 444 CG PHE A 26 -22.810 4.629 -2.828 1.00 0.00 C ATOM 445 CD1 PHE A 26 -23.936 3.880 -2.533 1.00 0.00 C ATOM 446 CD2 PHE A 26 -22.525 4.902 -4.156 1.00 0.00 C ATOM 447 CE1 PHE A 26 -24.762 3.416 -3.536 1.00 0.00 C ATOM 448 CE2 PHE A 26 -23.345 4.440 -5.163 1.00 0.00 C ATOM 449 CZ PHE A 26 -24.465 3.697 -4.853 1.00 0.00 C ATOM 0 H PHE A 26 -21.787 3.226 0.293 1.00 0.00 H new ATOM 0 HA PHE A 26 -20.437 3.692 -2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -22.488 5.376 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -21.403 6.035 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -24.171 3.656 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -21.650 5.484 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -25.638 2.835 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -23.111 4.660 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 26 -25.109 3.336 -5.641 1.00 0.00 H new ATOM 459 N THR A 27 -19.147 5.767 -1.128 1.00 0.00 N ATOM 460 CA THR A 27 -17.919 6.334 -0.657 1.00 0.00 C ATOM 461 C THR A 27 -18.101 7.153 0.625 1.00 0.00 C ATOM 462 O THR A 27 -18.053 8.380 0.619 1.00 0.00 O ATOM 463 CB THR A 27 -17.288 7.198 -1.753 1.00 0.00 C ATOM 464 OG1 THR A 27 -17.528 6.572 -3.030 1.00 0.00 O ATOM 465 CG2 THR A 27 -15.794 7.290 -1.542 1.00 0.00 C ATOM 0 H THR A 27 -19.576 6.286 -1.895 1.00 0.00 H new ATOM 0 HA THR A 27 -17.254 5.506 -0.412 1.00 0.00 H new ATOM 0 HB THR A 27 -17.725 8.196 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 27 -17.130 7.116 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.353 7.906 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 27 -15.591 7.739 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.359 6.291 -1.578 1.00 0.00 H new ATOM 473 N HIS A 28 -18.397 6.465 1.679 1.00 0.00 N ATOM 474 CA HIS A 28 -18.477 7.050 3.004 1.00 0.00 C ATOM 475 C HIS A 28 -17.119 6.929 3.700 1.00 0.00 C ATOM 476 O HIS A 28 -16.168 6.410 3.093 1.00 0.00 O ATOM 477 CB HIS A 28 -19.629 6.432 3.830 1.00 0.00 C ATOM 478 CG HIS A 28 -19.678 4.933 3.839 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.768 4.207 3.438 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.759 4.033 4.234 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.486 2.921 3.600 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.271 2.761 4.083 1.00 0.00 N ATOM 0 H HIS A 28 -18.595 5.465 1.658 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.714 8.110 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.545 6.783 4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.575 6.808 3.441 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.643 4.588 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.775 4.269 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.163 2.112 3.367 1.00 0.00 H new ATOM 490 N HIS A 29 -17.031 7.362 4.960 1.00 0.00 N ATOM 491 CA HIS A 29 -15.755 7.420 5.699 1.00 0.00 C ATOM 492 C HIS A 29 -14.980 6.090 5.695 1.00 0.00 C ATOM 493 O HIS A 29 -13.739 6.098 5.567 1.00 0.00 O ATOM 494 CB HIS A 29 -15.953 7.943 7.137 1.00 0.00 C ATOM 495 CG HIS A 29 -14.675 8.084 7.923 1.00 0.00 C ATOM 496 ND1 HIS A 29 -13.861 9.183 7.864 1.00 0.00 N ATOM 497 CD2 HIS A 29 -14.073 7.223 8.780 1.00 0.00 C ATOM 498 CE1 HIS A 29 -12.814 8.972 8.658 1.00 0.00 C ATOM 499 NE2 HIS A 29 -12.894 7.789 9.243 1.00 0.00 N ATOM 0 H HIS A 29 -17.835 7.682 5.500 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.135 8.134 5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.449 8.913 7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.621 7.266 7.669 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -14.451 6.250 9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.006 9.674 8.805 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.228 7.378 9.898 1.00 0.00 H new ATOM 507 N LYS A 30 -15.685 4.966 5.841 1.00 0.00 N ATOM 508 CA LYS A 30 -15.039 3.647 5.791 1.00 0.00 C ATOM 509 C LYS A 30 -14.265 3.491 4.484 1.00 0.00 C ATOM 510 O LYS A 30 -13.060 3.234 4.492 1.00 0.00 O ATOM 511 CB LYS A 30 -16.060 2.497 5.912 1.00 0.00 C ATOM 512 CG LYS A 30 -16.812 2.405 7.236 1.00 0.00 C ATOM 513 CD LYS A 30 -15.883 2.098 8.400 1.00 0.00 C ATOM 514 CE LYS A 30 -16.666 1.816 9.680 1.00 0.00 C ATOM 515 NZ LYS A 30 -17.467 2.975 10.140 1.00 0.00 N ATOM 0 H LYS A 30 -16.693 4.939 5.993 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.359 3.590 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.790 2.600 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.537 1.555 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.330 3.345 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.574 1.629 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.262 1.236 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.210 2.940 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.329 0.967 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.970 1.527 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.962 2.728 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.838 3.785 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.164 3.227 9.410 1.00 0.00 H new ATOM 529 N VAL A 31 -14.950 3.732 3.377 1.00 0.00 N ATOM 530 CA VAL A 31 -14.372 3.591 2.047 1.00 0.00 C ATOM 531 C VAL A 31 -13.229 4.595 1.827 1.00 0.00 C ATOM 532 O VAL A 31 -12.209 4.264 1.203 1.00 0.00 O ATOM 533 CB VAL A 31 -15.456 3.722 0.941 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.851 3.590 -0.452 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.540 2.668 1.140 1.00 0.00 C ATOM 0 H VAL A 31 -15.925 4.032 3.374 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.951 2.588 1.977 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.898 4.715 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.637 3.687 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.109 4.374 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.374 2.615 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.294 2.770 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.095 1.674 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.007 2.806 2.115 1.00 0.00 H new ATOM 545 N ILE A 32 -13.384 5.798 2.371 1.00 0.00 N ATOM 546 CA ILE A 32 -12.343 6.842 2.298 1.00 0.00 C ATOM 547 C ILE A 32 -11.069 6.309 2.942 1.00 0.00 C ATOM 548 O ILE A 32 -9.988 6.333 2.350 1.00 0.00 O ATOM 549 CB ILE A 32 -12.766 8.116 3.078 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.102 8.654 2.588 1.00 0.00 C ATOM 551 CG2 ILE A 32 -11.694 9.203 2.995 1.00 0.00 C ATOM 552 CD1 ILE A 32 -14.119 9.131 1.150 1.00 0.00 C ATOM 0 H ILE A 32 -14.224 6.085 2.873 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.191 7.097 1.249 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.879 7.826 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.854 7.873 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.400 9.482 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.022 10.081 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.763 8.830 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.531 9.475 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.115 9.495 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.396 9.938 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.857 8.304 0.489 1.00 0.00 H new ATOM 564 N SER A 33 -11.237 5.800 4.135 1.00 0.00 N ATOM 565 CA SER A 33 -10.157 5.227 4.915 1.00 0.00 C ATOM 566 C SER A 33 -9.460 4.062 4.173 1.00 0.00 C ATOM 567 O SER A 33 -8.229 3.973 4.167 1.00 0.00 O ATOM 568 CB SER A 33 -10.690 4.773 6.275 1.00 0.00 C ATOM 569 OG SER A 33 -11.317 5.868 6.957 1.00 0.00 O ATOM 0 H SER A 33 -12.142 5.769 4.605 1.00 0.00 H new ATOM 0 HA SER A 33 -9.401 5.997 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.406 3.962 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.873 4.379 6.880 1.00 0.00 H new ATOM 0 HG SER A 33 -12.197 6.038 6.562 1.00 0.00 H new ATOM 575 N PHE A 34 -10.242 3.203 3.505 1.00 0.00 N ATOM 576 CA PHE A 34 -9.662 2.072 2.770 1.00 0.00 C ATOM 577 C PHE A 34 -8.881 2.576 1.552 1.00 0.00 C ATOM 578 O PHE A 34 -7.865 1.989 1.153 1.00 0.00 O ATOM 579 CB PHE A 34 -10.737 1.069 2.307 1.00 0.00 C ATOM 580 CG PHE A 34 -11.628 0.518 3.393 1.00 0.00 C ATOM 581 CD1 PHE A 34 -11.113 0.126 4.622 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.987 0.374 3.167 1.00 0.00 C ATOM 583 CE1 PHE A 34 -11.942 -0.392 5.600 1.00 0.00 C ATOM 584 CE2 PHE A 34 -13.819 -0.140 4.140 1.00 0.00 C ATOM 585 CZ PHE A 34 -13.297 -0.522 5.359 1.00 0.00 C ATOM 0 H PHE A 34 -11.259 3.267 3.458 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.990 1.555 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.364 1.556 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.240 0.235 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.055 0.227 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.402 0.669 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.531 -0.695 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.877 -0.243 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.946 -0.922 6.124 1.00 0.00 H new ATOM 595 N SER A 35 -9.350 3.671 0.986 1.00 0.00 N ATOM 596 CA SER A 35 -8.717 4.277 -0.163 1.00 0.00 C ATOM 597 C SER A 35 -7.395 4.942 0.245 1.00 0.00 C ATOM 598 O SER A 35 -6.380 4.796 -0.439 1.00 0.00 O ATOM 599 CB SER A 35 -9.677 5.276 -0.824 1.00 0.00 C ATOM 600 OG SER A 35 -10.924 4.646 -1.172 1.00 0.00 O ATOM 0 H SER A 35 -10.181 4.164 1.312 1.00 0.00 H new ATOM 0 HA SER A 35 -8.482 3.505 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.864 6.108 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.214 5.692 -1.719 1.00 0.00 H new ATOM 0 HG SER A 35 -11.422 4.432 -0.355 1.00 0.00 H new ATOM 606 N GLN A 36 -7.401 5.622 1.391 1.00 0.00 N ATOM 607 CA GLN A 36 -6.192 6.262 1.909 1.00 0.00 C ATOM 608 C GLN A 36 -5.148 5.228 2.301 1.00 0.00 C ATOM 609 O GLN A 36 -3.953 5.479 2.196 1.00 0.00 O ATOM 610 CB GLN A 36 -6.494 7.181 3.085 1.00 0.00 C ATOM 611 CG GLN A 36 -7.303 8.414 2.722 1.00 0.00 C ATOM 612 CD GLN A 36 -7.550 9.302 3.918 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.750 9.347 4.851 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.629 10.018 3.905 1.00 0.00 N ATOM 0 H GLN A 36 -8.227 5.744 1.977 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.789 6.875 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.036 6.616 3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.553 7.498 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.776 8.980 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.258 8.108 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.272 9.957 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.836 10.643 4.684 1.00 0.00 H new ATOM 623 N GLU A 37 -5.612 4.064 2.743 1.00 0.00 N ATOM 624 CA GLU A 37 -4.736 2.947 3.070 1.00 0.00 C ATOM 625 C GLU A 37 -3.954 2.542 1.818 1.00 0.00 C ATOM 626 O GLU A 37 -2.762 2.251 1.873 1.00 0.00 O ATOM 627 CB GLU A 37 -5.583 1.756 3.539 1.00 0.00 C ATOM 628 CG GLU A 37 -4.791 0.513 3.913 1.00 0.00 C ATOM 629 CD GLU A 37 -4.032 0.653 5.208 1.00 0.00 C ATOM 630 OE1 GLU A 37 -2.893 1.146 5.211 1.00 0.00 O ATOM 631 OE2 GLU A 37 -4.579 0.256 6.264 1.00 0.00 O ATOM 0 H GLU A 37 -6.603 3.869 2.884 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.046 3.241 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.173 2.066 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.287 1.496 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.473 -0.334 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.088 0.284 3.112 1.00 0.00 H new ATOM 638 N LEU A 38 -4.635 2.578 0.687 1.00 0.00 N ATOM 639 CA LEU A 38 -4.047 2.181 -0.564 1.00 0.00 C ATOM 640 C LEU A 38 -2.996 3.209 -0.995 1.00 0.00 C ATOM 641 O LEU A 38 -1.895 2.841 -1.419 1.00 0.00 O ATOM 642 CB LEU A 38 -5.157 1.971 -1.627 1.00 0.00 C ATOM 643 CG LEU A 38 -4.776 1.244 -2.935 1.00 0.00 C ATOM 644 CD1 LEU A 38 -3.971 2.124 -3.890 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.003 -0.022 -2.604 1.00 0.00 C ATOM 0 H LEU A 38 -5.606 2.883 0.617 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.532 1.227 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.968 1.413 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.556 2.950 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.702 0.993 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.732 1.559 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.558 3.003 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.048 2.439 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.734 -0.536 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.097 0.238 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.623 -0.677 -1.992 1.00 0.00 H new ATOM 657 N ASP A 39 -3.323 4.488 -0.858 1.00 0.00 N ATOM 658 CA ASP A 39 -2.370 5.560 -1.189 1.00 0.00 C ATOM 659 C ASP A 39 -1.149 5.484 -0.287 1.00 0.00 C ATOM 660 O ASP A 39 -0.027 5.732 -0.722 1.00 0.00 O ATOM 661 CB ASP A 39 -3.005 6.964 -1.122 1.00 0.00 C ATOM 662 CG ASP A 39 -3.996 7.233 -2.239 1.00 0.00 C ATOM 663 OD1 ASP A 39 -3.586 7.290 -3.416 1.00 0.00 O ATOM 664 OD2 ASP A 39 -5.203 7.433 -1.962 1.00 0.00 O ATOM 0 H ASP A 39 -4.230 4.814 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.063 5.402 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.510 7.081 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.215 7.714 -1.159 1.00 0.00 H new ATOM 669 N ARG A 40 -1.381 5.089 0.954 1.00 0.00 N ATOM 670 CA ARG A 40 -0.329 4.892 1.941 1.00 0.00 C ATOM 671 C ARG A 40 0.639 3.802 1.476 1.00 0.00 C ATOM 672 O ARG A 40 1.849 3.930 1.629 1.00 0.00 O ATOM 673 CB ARG A 40 -0.952 4.499 3.274 1.00 0.00 C ATOM 674 CG ARG A 40 0.040 4.197 4.379 1.00 0.00 C ATOM 675 CD ARG A 40 -0.683 3.724 5.617 1.00 0.00 C ATOM 676 NE ARG A 40 -1.594 4.749 6.142 1.00 0.00 N ATOM 677 CZ ARG A 40 -2.734 4.500 6.794 1.00 0.00 C ATOM 678 NH1 ARG A 40 -3.249 3.281 6.818 1.00 0.00 N ATOM 679 NH2 ARG A 40 -3.402 5.494 7.340 1.00 0.00 N ATOM 0 H ARG A 40 -2.317 4.893 1.310 1.00 0.00 H new ATOM 0 HA ARG A 40 0.227 5.822 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.607 5.306 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.580 3.622 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.744 3.434 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.622 5.089 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.247 2.821 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.045 3.458 6.383 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.337 5.726 5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.775 2.518 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.120 3.105 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.049 6.448 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.273 5.310 7.839 1.00 0.00 H new ATOM 693 N LEU A 41 0.100 2.747 0.894 1.00 0.00 N ATOM 694 CA LEU A 41 0.912 1.650 0.380 1.00 0.00 C ATOM 695 C LEU A 41 1.771 2.126 -0.782 1.00 0.00 C ATOM 696 O LEU A 41 2.917 1.701 -0.941 1.00 0.00 O ATOM 697 CB LEU A 41 0.033 0.481 -0.048 1.00 0.00 C ATOM 698 CG LEU A 41 -0.842 -0.128 1.044 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.718 -1.212 0.473 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.008 -0.684 2.177 1.00 0.00 C ATOM 0 H LEU A 41 -0.904 2.623 0.763 1.00 0.00 H new ATOM 0 HA LEU A 41 1.569 1.306 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.613 0.815 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.674 -0.302 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.476 0.662 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.335 -1.636 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.359 -0.791 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.094 -1.995 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.640 -1.112 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.671 -1.457 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.603 0.118 2.613 1.00 0.00 H new ATOM 712 N LEU A 42 1.225 3.033 -1.570 1.00 0.00 N ATOM 713 CA LEU A 42 1.963 3.644 -2.658 1.00 0.00 C ATOM 714 C LEU A 42 3.107 4.484 -2.071 1.00 0.00 C ATOM 715 O LEU A 42 4.241 4.448 -2.550 1.00 0.00 O ATOM 716 CB LEU A 42 1.035 4.519 -3.511 1.00 0.00 C ATOM 717 CG LEU A 42 1.683 5.256 -4.689 1.00 0.00 C ATOM 718 CD1 LEU A 42 2.261 4.277 -5.701 1.00 0.00 C ATOM 719 CD2 LEU A 42 0.684 6.185 -5.350 1.00 0.00 C ATOM 0 H LEU A 42 0.265 3.365 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 42 2.375 2.867 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.235 3.889 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.570 5.259 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 42 2.506 5.855 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.713 4.830 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.019 3.660 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.465 3.639 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.162 6.699 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.163 5.606 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.334 6.919 -4.624 1.00 0.00 H new ATOM 731 N ASN A 43 2.798 5.200 -0.990 1.00 0.00 N ATOM 732 CA ASN A 43 3.781 6.014 -0.258 1.00 0.00 C ATOM 733 C ASN A 43 4.900 5.135 0.293 1.00 0.00 C ATOM 734 O ASN A 43 6.041 5.576 0.421 1.00 0.00 O ATOM 735 CB ASN A 43 3.130 6.788 0.910 1.00 0.00 C ATOM 736 CG ASN A 43 2.083 7.818 0.498 1.00 0.00 C ATOM 737 OD1 ASN A 43 1.122 8.055 1.227 1.00 0.00 O ATOM 738 ND2 ASN A 43 2.263 8.457 -0.638 1.00 0.00 N ATOM 0 H ASN A 43 1.859 5.235 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 43 4.189 6.734 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.665 6.071 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.915 7.295 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.596 9.170 -0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.070 8.240 -1.223 1.00 0.00 H new ATOM 745 N LEU A 44 4.567 3.893 0.608 1.00 0.00 N ATOM 746 CA LEU A 44 5.534 2.923 1.106 1.00 0.00 C ATOM 747 C LEU A 44 6.546 2.528 0.021 1.00 0.00 C ATOM 748 O LEU A 44 7.690 2.207 0.327 1.00 0.00 O ATOM 749 CB LEU A 44 4.842 1.689 1.693 1.00 0.00 C ATOM 750 CG LEU A 44 4.006 1.905 2.961 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.388 0.594 3.413 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.851 2.500 4.081 1.00 0.00 C ATOM 0 H LEU A 44 3.618 3.527 0.526 1.00 0.00 H new ATOM 0 HA LEU A 44 6.087 3.405 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.193 1.266 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.606 0.943 1.912 1.00 0.00 H new ATOM 0 HG LEU A 44 3.210 2.611 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.797 0.762 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.744 0.204 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.178 -0.126 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.232 2.642 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.672 1.823 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.254 3.461 3.762 1.00 0.00 H new ATOM 764 N LEU A 45 6.119 2.533 -1.234 1.00 0.00 N ATOM 765 CA LEU A 45 7.032 2.282 -2.361 1.00 0.00 C ATOM 766 C LEU A 45 7.955 3.475 -2.531 1.00 0.00 C ATOM 767 O LEU A 45 9.142 3.344 -2.860 1.00 0.00 O ATOM 768 CB LEU A 45 6.258 2.064 -3.666 1.00 0.00 C ATOM 769 CG LEU A 45 5.380 0.822 -3.757 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.612 0.838 -5.066 1.00 0.00 C ATOM 771 CD2 LEU A 45 6.231 -0.433 -3.677 1.00 0.00 C ATOM 0 H LEU A 45 5.151 2.707 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 45 7.604 1.381 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.627 2.937 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.978 2.029 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 45 4.679 0.823 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.984 -0.051 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.985 1.729 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.314 0.847 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.590 -1.312 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.945 -0.442 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.770 -0.447 -2.730 1.00 0.00 H new ATOM 783 N ILE A 46 7.399 4.642 -2.284 1.00 0.00 N ATOM 784 CA ILE A 46 8.118 5.898 -2.371 1.00 0.00 C ATOM 785 C ILE A 46 9.152 6.007 -1.229 1.00 0.00 C ATOM 786 O ILE A 46 10.177 6.657 -1.367 1.00 0.00 O ATOM 787 CB ILE A 46 7.123 7.096 -2.349 1.00 0.00 C ATOM 788 CG1 ILE A 46 6.155 6.993 -3.545 1.00 0.00 C ATOM 789 CG2 ILE A 46 7.864 8.425 -2.371 1.00 0.00 C ATOM 790 CD1 ILE A 46 5.079 8.061 -3.575 1.00 0.00 C ATOM 0 H ILE A 46 6.421 4.748 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 46 8.659 5.929 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 46 6.550 7.053 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.731 7.049 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.677 6.014 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.144 9.243 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.512 8.495 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.467 8.490 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.444 7.913 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.474 7.994 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.545 9.045 -3.628 1.00 0.00 H new ATOM 802 N GLU A 47 8.877 5.315 -0.134 1.00 0.00 N ATOM 803 CA GLU A 47 9.756 5.259 1.041 1.00 0.00 C ATOM 804 C GLU A 47 11.177 4.799 0.644 1.00 0.00 C ATOM 805 O GLU A 47 12.169 5.267 1.189 1.00 0.00 O ATOM 806 CB GLU A 47 9.142 4.296 2.053 1.00 0.00 C ATOM 807 CG GLU A 47 9.929 4.073 3.337 1.00 0.00 C ATOM 808 CD GLU A 47 9.962 5.275 4.249 1.00 0.00 C ATOM 809 OE1 GLU A 47 9.000 5.478 5.011 1.00 0.00 O ATOM 810 OE2 GLU A 47 10.961 5.998 4.275 1.00 0.00 O ATOM 0 H GLU A 47 8.025 4.765 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 47 9.847 6.252 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.151 4.665 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.002 3.331 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.495 3.231 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.951 3.795 3.082 1.00 0.00 H new