USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 17 LYS NZ :NH3+ 157:sc= -0.134 (180deg=0) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.1 K(o=-1.2,f=-3.3!) USER MOD Single : A 3 GLN : amide:sc= -0.812 K(o=-0.81,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 30:sc= -0.002 USER MOD Single : A 7 THR OG1 : rot 78:sc= 0.233 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.128 (180deg=-0.436) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 137:sc= -5.23! USER MOD Single : A 41 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0032 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 90:sc= 0.0674 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 80 GLN : amide:sc= -3.23 K(o=-3.2,f=-9.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0195 K(o=-0.02,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.121 F(o=-2.4!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.720 5.453 -15.379 1.00 0.00 N ATOM 32 CA GLN A 3 -6.161 4.305 -14.529 1.00 0.00 C ATOM 33 C GLN A 3 -6.534 4.795 -13.121 1.00 0.00 C ATOM 34 O GLN A 3 -6.230 4.145 -12.139 1.00 0.00 O ATOM 35 CB GLN A 3 -4.949 3.374 -14.467 1.00 0.00 C ATOM 36 CG GLN A 3 -4.735 2.722 -15.835 1.00 0.00 C ATOM 37 CD GLN A 3 -5.861 1.717 -16.106 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.020 0.761 -15.375 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.659 1.890 -17.131 1.00 0.00 N ATOM 0 HA GLN A 3 -7.042 3.806 -14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.061 3.935 -14.177 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.104 2.608 -13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.718 3.484 -16.614 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.769 2.218 -15.862 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.530 2.692 -17.748 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.409 1.223 -17.311 1.00 0.00 H new ATOM 48 N GLU A 4 -7.193 5.933 -13.009 1.00 0.00 N ATOM 49 CA GLU A 4 -7.576 6.439 -11.641 1.00 0.00 C ATOM 50 C GLU A 4 -8.503 5.426 -10.955 1.00 0.00 C ATOM 51 O GLU A 4 -8.367 5.163 -9.775 1.00 0.00 O ATOM 52 CB GLU A 4 -8.306 7.776 -11.844 1.00 0.00 C ATOM 53 CG GLU A 4 -8.251 8.590 -10.549 1.00 0.00 C ATOM 54 CD GLU A 4 -6.875 9.244 -10.415 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.918 8.522 -10.185 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.802 10.454 -10.542 1.00 0.00 O ATOM 0 H GLU A 4 -7.478 6.524 -13.790 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.697 6.573 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.843 8.335 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.343 7.597 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.029 9.353 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.443 7.944 -9.692 1.00 0.00 H new ATOM 63 N GLN A 5 -9.442 4.845 -11.681 1.00 0.00 N ATOM 64 CA GLN A 5 -10.361 3.835 -11.036 1.00 0.00 C ATOM 65 C GLN A 5 -9.528 2.710 -10.396 1.00 0.00 C ATOM 66 O GLN A 5 -9.841 2.245 -9.316 1.00 0.00 O ATOM 67 CB GLN A 5 -11.291 3.286 -12.140 1.00 0.00 C ATOM 68 CG GLN A 5 -10.482 2.532 -13.204 1.00 0.00 C ATOM 69 CD GLN A 5 -11.435 1.966 -14.264 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.715 0.783 -14.269 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.952 2.760 -15.171 1.00 0.00 N ATOM 0 H GLN A 5 -9.610 5.021 -12.672 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.957 4.290 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.033 2.620 -11.700 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.836 4.107 -12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.760 3.202 -13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.915 1.724 -12.741 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.720 3.753 -15.171 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.586 2.384 -15.876 1.00 0.00 H new ATOM 80 N TYR A 6 -8.447 2.301 -11.030 1.00 0.00 N ATOM 81 CA TYR A 6 -7.581 1.242 -10.408 1.00 0.00 C ATOM 82 C TYR A 6 -6.813 1.875 -9.239 1.00 0.00 C ATOM 83 O TYR A 6 -6.637 1.266 -8.203 1.00 0.00 O ATOM 84 CB TYR A 6 -6.601 0.767 -11.493 1.00 0.00 C ATOM 85 CG TYR A 6 -7.240 -0.329 -12.312 1.00 0.00 C ATOM 86 CD1 TYR A 6 -8.023 -0.003 -13.425 1.00 0.00 C ATOM 87 CD2 TYR A 6 -7.046 -1.669 -11.959 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.612 -1.018 -14.187 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.637 -2.685 -12.719 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.420 -2.360 -13.834 1.00 0.00 C ATOM 91 OH TYR A 6 -9.001 -3.362 -14.585 1.00 0.00 O ATOM 0 H TYR A 6 -8.132 2.649 -11.936 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.165 0.401 -10.035 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.325 1.602 -12.137 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.683 0.402 -11.033 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.173 1.032 -13.696 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.440 -1.919 -11.100 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.215 -0.767 -15.047 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.489 -3.719 -12.446 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.085 -3.066 -15.516 1.00 0.00 H new ATOM 101 N THR A 7 -6.360 3.105 -9.399 1.00 0.00 N ATOM 102 CA THR A 7 -5.610 3.783 -8.284 1.00 0.00 C ATOM 103 C THR A 7 -6.492 3.860 -7.029 1.00 0.00 C ATOM 104 O THR A 7 -6.019 3.650 -5.927 1.00 0.00 O ATOM 105 CB THR A 7 -5.276 5.200 -8.786 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.490 5.107 -9.966 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.504 5.981 -7.720 1.00 0.00 C ATOM 0 H THR A 7 -6.476 3.662 -10.245 1.00 0.00 H new ATOM 0 HA THR A 7 -4.706 3.234 -8.020 1.00 0.00 H new ATOM 0 HB THR A 7 -6.207 5.726 -8.999 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.068 4.895 -10.728 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.277 6.980 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.109 6.060 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.575 5.460 -7.489 1.00 0.00 H new ATOM 115 N GLU A 8 -7.766 4.159 -7.182 1.00 0.00 N ATOM 116 CA GLU A 8 -8.654 4.241 -5.968 1.00 0.00 C ATOM 117 C GLU A 8 -8.784 2.855 -5.328 1.00 0.00 C ATOM 118 O GLU A 8 -8.734 2.723 -4.120 1.00 0.00 O ATOM 119 CB GLU A 8 -10.026 4.742 -6.446 1.00 0.00 C ATOM 120 CG GLU A 8 -10.687 5.560 -5.334 1.00 0.00 C ATOM 121 CD GLU A 8 -11.844 6.374 -5.916 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.587 7.455 -6.421 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.966 5.903 -5.848 1.00 0.00 O ATOM 0 H GLU A 8 -8.223 4.346 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.239 4.918 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.910 5.353 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.660 3.897 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.053 4.898 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.956 6.225 -4.874 1.00 0.00 H new ATOM 130 N ASN A 9 -8.923 1.817 -6.124 1.00 0.00 N ATOM 131 CA ASN A 9 -9.025 0.440 -5.529 1.00 0.00 C ATOM 132 C ASN A 9 -7.638 0.006 -5.045 1.00 0.00 C ATOM 133 O ASN A 9 -7.499 -0.558 -3.975 1.00 0.00 O ATOM 134 CB ASN A 9 -9.529 -0.493 -6.641 1.00 0.00 C ATOM 135 CG ASN A 9 -11.043 -0.314 -6.812 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.484 0.647 -7.410 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.866 -1.203 -6.310 1.00 0.00 N ATOM 0 H ASN A 9 -8.970 1.860 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.707 0.413 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.018 -0.270 -7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.300 -1.529 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.873 -1.086 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.499 -2.011 -5.807 1.00 0.00 H new ATOM 144 N LEU A 10 -6.602 0.286 -5.810 1.00 0.00 N ATOM 145 CA LEU A 10 -5.221 -0.097 -5.359 1.00 0.00 C ATOM 146 C LEU A 10 -4.852 0.707 -4.104 1.00 0.00 C ATOM 147 O LEU A 10 -4.214 0.192 -3.204 1.00 0.00 O ATOM 148 CB LEU A 10 -4.261 0.240 -6.512 1.00 0.00 C ATOM 149 CG LEU A 10 -2.868 -0.312 -6.197 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.925 -1.840 -6.126 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.893 0.109 -7.298 1.00 0.00 C ATOM 0 H LEU A 10 -6.652 0.756 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.163 -1.157 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.631 -0.188 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.212 1.320 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.530 0.083 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.933 -2.231 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.620 -2.142 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.263 -2.236 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.901 -0.283 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.233 -0.286 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.850 1.197 -7.349 1.00 0.00 H new ATOM 163 N LYS A 11 -5.256 1.964 -4.023 1.00 0.00 N ATOM 164 CA LYS A 11 -4.920 2.774 -2.796 1.00 0.00 C ATOM 165 C LYS A 11 -5.485 2.092 -1.538 1.00 0.00 C ATOM 166 O LYS A 11 -4.889 2.164 -0.478 1.00 0.00 O ATOM 167 CB LYS A 11 -5.565 4.156 -2.983 1.00 0.00 C ATOM 168 CG LYS A 11 -5.053 5.109 -1.900 1.00 0.00 C ATOM 169 CD LYS A 11 -6.161 6.091 -1.516 1.00 0.00 C ATOM 170 CE LYS A 11 -5.862 6.686 -0.138 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.747 7.878 -0.034 1.00 0.00 N ATOM 0 H LYS A 11 -5.793 2.454 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.841 2.861 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.327 4.550 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.650 4.073 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.735 4.543 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.181 5.653 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.231 6.885 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.124 5.581 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.071 5.969 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.812 6.965 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.599 8.341 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.521 8.546 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.740 7.581 -0.117 1.00 0.00 H new ATOM 185 N VAL A 12 -6.616 1.421 -1.639 1.00 0.00 N ATOM 186 CA VAL A 12 -7.179 0.735 -0.424 1.00 0.00 C ATOM 187 C VAL A 12 -6.339 -0.508 -0.110 1.00 0.00 C ATOM 188 O VAL A 12 -5.996 -0.756 1.031 1.00 0.00 O ATOM 189 CB VAL A 12 -8.625 0.340 -0.772 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.259 -0.395 0.410 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.436 1.600 -1.079 1.00 0.00 C ATOM 0 H VAL A 12 -7.164 1.320 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.161 1.382 0.453 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.619 -0.315 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.283 -0.673 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.683 -1.294 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.264 0.257 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.461 1.322 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.437 2.253 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.989 2.124 -1.924 1.00 0.00 H new ATOM 201 N ILE A 13 -5.990 -1.281 -1.114 1.00 0.00 N ATOM 202 CA ILE A 13 -5.150 -2.501 -0.853 1.00 0.00 C ATOM 203 C ILE A 13 -3.740 -2.072 -0.411 1.00 0.00 C ATOM 204 O ILE A 13 -3.138 -2.704 0.438 1.00 0.00 O ATOM 205 CB ILE A 13 -5.098 -3.295 -2.172 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.527 -3.693 -2.580 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.250 -4.557 -1.982 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.717 -3.490 -4.086 1.00 0.00 C ATOM 0 H ILE A 13 -6.245 -1.125 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.570 -3.117 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.652 -2.677 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.712 -4.735 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.252 -3.093 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.215 -5.116 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.238 -4.275 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.692 -5.179 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.731 -3.774 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.552 -2.442 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.003 -4.109 -4.629 1.00 0.00 H new ATOM 220 N VAL A 14 -3.212 -0.994 -0.962 1.00 0.00 N ATOM 221 CA VAL A 14 -1.842 -0.538 -0.533 1.00 0.00 C ATOM 222 C VAL A 14 -1.900 -0.057 0.927 1.00 0.00 C ATOM 223 O VAL A 14 -1.005 -0.330 1.706 1.00 0.00 O ATOM 224 CB VAL A 14 -1.443 0.618 -1.467 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.052 1.132 -1.089 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.425 0.120 -2.915 1.00 0.00 C ATOM 0 H VAL A 14 -3.661 -0.421 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.112 -1.345 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.166 1.428 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.226 1.950 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.063 1.488 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.673 0.324 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.142 0.938 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.703 -0.691 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.416 -0.242 -3.188 1.00 0.00 H new ATOM 236 N ALA A 15 -2.952 0.642 1.313 1.00 0.00 N ATOM 237 CA ALA A 15 -3.048 1.115 2.743 1.00 0.00 C ATOM 238 C ALA A 15 -3.208 -0.090 3.691 1.00 0.00 C ATOM 239 O ALA A 15 -2.731 -0.064 4.809 1.00 0.00 O ATOM 240 CB ALA A 15 -4.284 2.023 2.829 1.00 0.00 C ATOM 0 H ALA A 15 -3.735 0.902 0.713 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.147 1.653 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.395 2.391 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.163 2.867 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.172 1.456 2.549 1.00 0.00 H new ATOM 246 N GLU A 16 -3.873 -1.151 3.259 1.00 0.00 N ATOM 247 CA GLU A 16 -4.048 -2.352 4.161 1.00 0.00 C ATOM 248 C GLU A 16 -2.689 -2.821 4.710 1.00 0.00 C ATOM 249 O GLU A 16 -2.596 -3.255 5.843 1.00 0.00 O ATOM 250 CB GLU A 16 -4.666 -3.460 3.293 1.00 0.00 C ATOM 251 CG GLU A 16 -5.064 -4.646 4.176 1.00 0.00 C ATOM 252 CD GLU A 16 -5.074 -5.926 3.337 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.025 -6.285 2.829 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.130 -6.525 3.219 1.00 0.00 O ATOM 0 H GLU A 16 -4.296 -1.237 2.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.681 -2.107 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.540 -3.077 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.952 -3.782 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.363 -4.747 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.049 -4.475 4.610 1.00 0.00 H new ATOM 261 N LYS A 17 -1.634 -2.732 3.923 1.00 0.00 N ATOM 262 CA LYS A 17 -0.290 -3.176 4.432 1.00 0.00 C ATOM 263 C LYS A 17 0.364 -2.047 5.243 1.00 0.00 C ATOM 264 O LYS A 17 0.860 -2.272 6.330 1.00 0.00 O ATOM 265 CB LYS A 17 0.558 -3.509 3.195 1.00 0.00 C ATOM 266 CG LYS A 17 0.270 -4.945 2.746 1.00 0.00 C ATOM 267 CD LYS A 17 1.325 -5.891 3.331 1.00 0.00 C ATOM 268 CE LYS A 17 0.765 -6.582 4.577 1.00 0.00 C ATOM 269 NZ LYS A 17 1.890 -6.587 5.554 1.00 0.00 N ATOM 0 H LYS A 17 -1.645 -2.377 2.967 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.380 -4.042 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.331 -2.812 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.617 -3.395 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.725 -5.246 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.278 -5.004 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.611 -6.636 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.226 -5.333 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.098 -6.045 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.434 -7.596 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.511 -6.670 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.517 -7.393 5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.428 -5.701 5.468 1.00 0.00 H new ATOM 283 N LEU A 18 0.363 -0.830 4.733 1.00 0.00 N ATOM 284 CA LEU A 18 0.991 0.302 5.509 1.00 0.00 C ATOM 285 C LEU A 18 0.257 0.482 6.845 1.00 0.00 C ATOM 286 O LEU A 18 0.878 0.579 7.887 1.00 0.00 O ATOM 287 CB LEU A 18 0.834 1.566 4.652 1.00 0.00 C ATOM 288 CG LEU A 18 1.688 1.439 3.394 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.113 2.336 2.292 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.124 1.868 3.709 1.00 0.00 C ATOM 0 H LEU A 18 -0.037 -0.573 3.831 1.00 0.00 H new ATOM 0 HA LEU A 18 2.041 0.101 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.212 1.707 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.136 2.444 5.222 1.00 0.00 H new ATOM 0 HG LEU A 18 1.685 0.403 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.723 2.245 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.091 2.029 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.115 3.373 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.736 1.778 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.128 2.904 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.532 1.228 4.492 1.00 0.00 H new ATOM 302 N ALA A 19 -1.061 0.517 6.828 1.00 0.00 N ATOM 303 CA ALA A 19 -1.819 0.680 8.120 1.00 0.00 C ATOM 304 C ALA A 19 -1.578 -0.536 9.037 1.00 0.00 C ATOM 305 O ALA A 19 -1.603 -0.410 10.247 1.00 0.00 O ATOM 306 CB ALA A 19 -3.309 0.775 7.753 1.00 0.00 C ATOM 0 H ALA A 19 -1.637 0.441 5.990 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.489 1.570 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.900 0.894 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.469 1.633 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.615 -0.135 7.237 1.00 0.00 H new ATOM 312 N GLY A 20 -1.352 -1.714 8.481 1.00 0.00 N ATOM 313 CA GLY A 20 -1.121 -2.918 9.337 1.00 0.00 C ATOM 314 C GLY A 20 0.331 -2.948 9.845 1.00 0.00 C ATOM 315 O GLY A 20 0.586 -3.384 10.952 1.00 0.00 O ATOM 0 H GLY A 20 -1.319 -1.885 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.808 -2.907 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.332 -3.823 8.767 1.00 0.00 H new ATOM 319 N ILE A 21 1.294 -2.504 9.050 1.00 0.00 N ATOM 320 CA ILE A 21 2.735 -2.533 9.517 1.00 0.00 C ATOM 321 C ILE A 21 2.866 -1.882 10.916 1.00 0.00 C ATOM 322 O ILE A 21 2.223 -0.888 11.188 1.00 0.00 O ATOM 323 CB ILE A 21 3.547 -1.741 8.462 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.647 -2.578 7.181 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.967 -1.438 8.969 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.777 -1.659 5.962 1.00 0.00 C ATOM 0 H ILE A 21 1.149 -2.129 8.113 1.00 0.00 H new ATOM 0 HA ILE A 21 3.103 -3.555 9.609 1.00 0.00 H new ATOM 0 HB ILE A 21 3.037 -0.797 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.508 -3.244 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.763 -3.208 7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.514 -0.881 8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.909 -0.844 9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.486 -2.373 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.847 -2.263 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.902 -1.012 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.674 -1.048 6.061 1.00 0.00 H new ATOM 338 N PRO A 22 3.704 -2.459 11.755 1.00 0.00 N ATOM 339 CA PRO A 22 3.906 -1.901 13.110 1.00 0.00 C ATOM 340 C PRO A 22 4.823 -0.670 13.041 1.00 0.00 C ATOM 341 O PRO A 22 5.592 -0.519 12.111 1.00 0.00 O ATOM 342 CB PRO A 22 4.582 -3.033 13.875 1.00 0.00 C ATOM 343 CG PRO A 22 5.266 -3.861 12.834 1.00 0.00 C ATOM 344 CD PRO A 22 4.526 -3.663 11.534 1.00 0.00 C ATOM 0 HA PRO A 22 2.979 -1.574 13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.297 -2.645 14.601 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.853 -3.623 14.430 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.309 -3.561 12.730 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.264 -4.913 13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.216 -3.525 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.907 -4.527 11.294 1.00 0.00 H new ATOM 415 N ASP A 27 2.176 9.625 7.707 1.00 0.00 N ATOM 416 CA ASP A 27 1.879 9.691 6.237 1.00 0.00 C ATOM 417 C ASP A 27 1.445 8.313 5.695 1.00 0.00 C ATOM 418 O ASP A 27 1.757 7.965 4.573 1.00 0.00 O ATOM 419 CB ASP A 27 3.191 10.131 5.585 1.00 0.00 C ATOM 420 CG ASP A 27 3.246 11.658 5.526 1.00 0.00 C ATOM 421 OD1 ASP A 27 2.790 12.285 6.468 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.742 12.177 4.539 1.00 0.00 O ATOM 0 HA ASP A 27 1.060 10.378 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.038 9.748 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.267 9.715 4.580 1.00 0.00 H new ATOM 427 N ILE A 28 0.730 7.527 6.478 1.00 0.00 N ATOM 428 CA ILE A 28 0.296 6.173 5.977 1.00 0.00 C ATOM 429 C ILE A 28 -0.712 6.334 4.819 1.00 0.00 C ATOM 430 O ILE A 28 -0.700 5.562 3.877 1.00 0.00 O ATOM 431 CB ILE A 28 -0.302 5.422 7.202 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.316 3.907 6.942 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.724 5.904 7.526 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.217 3.567 5.749 1.00 0.00 C ATOM 0 H ILE A 28 0.433 7.759 7.426 1.00 0.00 H new ATOM 0 HA ILE A 28 1.126 5.597 5.568 1.00 0.00 H new ATOM 0 HB ILE A 28 0.333 5.640 8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.698 3.557 6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.669 3.384 7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.107 5.356 8.387 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.704 6.970 7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.372 5.729 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.211 2.490 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.235 3.897 5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.846 4.073 4.857 1.00 0.00 H new ATOM 446 N LYS A 29 -1.562 7.336 4.861 1.00 0.00 N ATOM 447 CA LYS A 29 -2.527 7.527 3.725 1.00 0.00 C ATOM 448 C LYS A 29 -1.805 8.244 2.575 1.00 0.00 C ATOM 449 O LYS A 29 -2.021 7.932 1.418 1.00 0.00 O ATOM 450 CB LYS A 29 -3.685 8.383 4.261 1.00 0.00 C ATOM 451 CG LYS A 29 -4.960 8.065 3.477 1.00 0.00 C ATOM 452 CD LYS A 29 -6.142 8.815 4.097 1.00 0.00 C ATOM 453 CE LYS A 29 -6.871 7.903 5.088 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.403 8.343 6.432 1.00 0.00 N ATOM 0 H LYS A 29 -1.630 8.018 5.616 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.907 6.577 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.838 8.183 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.442 9.442 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.839 8.354 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.149 6.992 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.789 9.712 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.828 9.141 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.952 8.003 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.631 6.855 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.095 8.054 7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.483 7.905 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.304 9.378 6.443 1.00 0.00 H new ATOM 468 N TYR A 30 -0.928 9.184 2.877 1.00 0.00 N ATOM 469 CA TYR A 30 -0.183 9.883 1.776 1.00 0.00 C ATOM 470 C TYR A 30 0.888 8.950 1.186 1.00 0.00 C ATOM 471 O TYR A 30 1.192 9.033 0.010 1.00 0.00 O ATOM 472 CB TYR A 30 0.475 11.125 2.400 1.00 0.00 C ATOM 473 CG TYR A 30 -0.549 12.225 2.531 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.125 12.787 1.386 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.922 12.686 3.799 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.074 13.809 1.507 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.873 13.708 3.921 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.449 14.269 2.776 1.00 0.00 C ATOM 479 OH TYR A 30 -3.385 15.275 2.896 1.00 0.00 O ATOM 0 H TYR A 30 -0.701 9.491 3.823 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.856 10.166 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.887 10.879 3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.306 11.460 1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.837 12.432 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.477 12.254 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.517 14.243 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.161 14.063 4.899 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.531 15.474 3.844 1.00 0.00 H new ATOM 489 N VAL A 31 1.460 8.054 1.975 1.00 0.00 N ATOM 490 CA VAL A 31 2.499 7.130 1.404 1.00 0.00 C ATOM 491 C VAL A 31 1.831 6.098 0.472 1.00 0.00 C ATOM 492 O VAL A 31 2.381 5.744 -0.554 1.00 0.00 O ATOM 493 CB VAL A 31 3.219 6.452 2.600 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.333 5.380 3.245 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.518 5.809 2.106 1.00 0.00 C ATOM 0 H VAL A 31 1.255 7.927 2.966 1.00 0.00 H new ATOM 0 HA VAL A 31 3.228 7.672 0.801 1.00 0.00 H new ATOM 0 HB VAL A 31 3.435 7.213 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.864 4.923 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.413 5.838 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.091 4.616 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.028 5.331 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.288 5.062 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.163 6.576 1.677 1.00 0.00 H new ATOM 505 N ALA A 32 0.645 5.625 0.809 1.00 0.00 N ATOM 506 CA ALA A 32 -0.037 4.627 -0.092 1.00 0.00 C ATOM 507 C ALA A 32 -0.391 5.295 -1.430 1.00 0.00 C ATOM 508 O ALA A 32 -0.274 4.686 -2.477 1.00 0.00 O ATOM 509 CB ALA A 32 -1.315 4.171 0.631 1.00 0.00 C ATOM 0 H ALA A 32 0.129 5.880 1.651 1.00 0.00 H new ATOM 0 HA ALA A 32 0.611 3.776 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.843 3.445 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.050 3.712 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.959 5.032 0.810 1.00 0.00 H new ATOM 515 N GLU A 33 -0.816 6.545 -1.412 1.00 0.00 N ATOM 516 CA GLU A 33 -1.162 7.232 -2.710 1.00 0.00 C ATOM 517 C GLU A 33 0.077 7.274 -3.613 1.00 0.00 C ATOM 518 O GLU A 33 -0.005 6.999 -4.796 1.00 0.00 O ATOM 519 CB GLU A 33 -1.614 8.658 -2.357 1.00 0.00 C ATOM 520 CG GLU A 33 -3.113 8.656 -2.046 1.00 0.00 C ATOM 521 CD GLU A 33 -3.539 10.047 -1.572 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.293 10.998 -2.294 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.104 10.135 -0.494 1.00 0.00 O ATOM 0 H GLU A 33 -0.937 7.110 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.951 6.701 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.054 9.026 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.405 9.333 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.679 8.374 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.335 7.915 -1.278 1.00 0.00 H new ATOM 530 N TYR A 34 1.229 7.595 -3.062 1.00 0.00 N ATOM 531 CA TYR A 34 2.473 7.623 -3.910 1.00 0.00 C ATOM 532 C TYR A 34 2.789 6.194 -4.374 1.00 0.00 C ATOM 533 O TYR A 34 3.142 5.972 -5.516 1.00 0.00 O ATOM 534 CB TYR A 34 3.607 8.179 -3.023 1.00 0.00 C ATOM 535 CG TYR A 34 4.942 8.136 -3.750 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.021 8.398 -5.130 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.107 7.843 -3.031 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.259 8.363 -5.779 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.345 7.812 -3.682 1.00 0.00 C ATOM 540 CZ TYR A 34 7.420 8.072 -5.057 1.00 0.00 C ATOM 541 OH TYR A 34 8.639 8.044 -5.701 1.00 0.00 O ATOM 0 H TYR A 34 1.362 7.835 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 34 2.352 8.247 -4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.378 9.205 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.671 7.598 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.125 8.626 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.050 7.640 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.318 8.561 -6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.243 7.588 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 34 9.310 8.500 -5.151 1.00 0.00 H new ATOM 551 N ILE A 35 2.645 5.217 -3.499 1.00 0.00 N ATOM 552 CA ILE A 35 2.920 3.792 -3.913 1.00 0.00 C ATOM 553 C ILE A 35 2.009 3.433 -5.102 1.00 0.00 C ATOM 554 O ILE A 35 2.452 2.842 -6.069 1.00 0.00 O ATOM 555 CB ILE A 35 2.620 2.922 -2.673 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.695 3.191 -1.617 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.630 1.433 -3.029 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.309 2.509 -0.306 1.00 0.00 C ATOM 0 H ILE A 35 2.353 5.340 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 35 3.949 3.635 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 35 1.630 3.178 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.659 2.818 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.805 4.264 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.416 0.844 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.871 1.235 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.610 1.159 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.076 2.702 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.354 2.903 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.221 1.435 -0.467 1.00 0.00 H new ATOM 570 N VAL A 36 0.752 3.820 -5.052 1.00 0.00 N ATOM 571 CA VAL A 36 -0.160 3.528 -6.214 1.00 0.00 C ATOM 572 C VAL A 36 0.320 4.339 -7.425 1.00 0.00 C ATOM 573 O VAL A 36 0.371 3.835 -8.531 1.00 0.00 O ATOM 574 CB VAL A 36 -1.573 3.969 -5.796 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.556 3.702 -6.938 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.006 3.182 -4.556 1.00 0.00 C ATOM 0 H VAL A 36 0.322 4.317 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.160 2.471 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.566 5.035 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.556 4.016 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.249 4.263 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.564 2.637 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.007 3.494 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.011 2.116 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.309 3.375 -3.741 1.00 0.00 H new ATOM 586 N LEU A 37 0.697 5.590 -7.222 1.00 0.00 N ATOM 587 CA LEU A 37 1.202 6.414 -8.380 1.00 0.00 C ATOM 588 C LEU A 37 2.433 5.719 -8.981 1.00 0.00 C ATOM 589 O LEU A 37 2.553 5.599 -10.186 1.00 0.00 O ATOM 590 CB LEU A 37 1.589 7.792 -7.818 1.00 0.00 C ATOM 591 CG LEU A 37 1.388 8.857 -8.897 1.00 0.00 C ATOM 592 CD1 LEU A 37 -0.085 9.265 -8.943 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.245 10.081 -8.569 1.00 0.00 C ATOM 0 H LEU A 37 0.677 6.068 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 37 0.448 6.522 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.980 8.025 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.628 7.784 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 37 1.684 8.454 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.228 10.024 -9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.697 8.393 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.381 9.669 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.103 10.841 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.948 10.484 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.295 9.791 -8.535 1.00 0.00 H new ATOM 605 N LEU A 38 3.333 5.224 -8.146 1.00 0.00 N ATOM 606 CA LEU A 38 4.533 4.498 -8.696 1.00 0.00 C ATOM 607 C LEU A 38 4.039 3.262 -9.465 1.00 0.00 C ATOM 608 O LEU A 38 4.491 2.978 -10.557 1.00 0.00 O ATOM 609 CB LEU A 38 5.389 4.064 -7.495 1.00 0.00 C ATOM 610 CG LEU A 38 5.962 5.296 -6.797 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.279 4.954 -5.339 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.246 5.731 -7.508 1.00 0.00 C ATOM 0 H LEU A 38 3.289 5.290 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 38 5.117 5.127 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.785 3.486 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.198 3.414 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 38 5.233 6.106 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.688 5.832 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.366 4.641 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.009 4.145 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.657 6.610 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.974 4.921 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.023 5.972 -8.547 1.00 0.00 H new ATOM 624 N ILE A 39 3.091 2.540 -8.901 1.00 0.00 N ATOM 625 CA ILE A 39 2.537 1.328 -9.608 1.00 0.00 C ATOM 626 C ILE A 39 1.913 1.778 -10.939 1.00 0.00 C ATOM 627 O ILE A 39 2.190 1.211 -11.981 1.00 0.00 O ATOM 628 CB ILE A 39 1.464 0.740 -8.654 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.155 0.113 -7.425 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.596 -0.309 -9.368 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.897 -1.176 -7.812 1.00 0.00 C ATOM 0 H ILE A 39 2.679 2.734 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 39 3.298 0.581 -9.835 1.00 0.00 H new ATOM 0 HB ILE A 39 0.809 1.549 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.857 0.826 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.413 -0.106 -6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.146 -0.702 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.090 0.153 -10.216 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.228 -1.123 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.376 -1.599 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.187 -1.896 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.655 -0.949 -8.562 1.00 0.00 H new ATOM 643 N VAL A 40 1.091 2.802 -10.914 1.00 0.00 N ATOM 644 CA VAL A 40 0.475 3.292 -12.198 1.00 0.00 C ATOM 645 C VAL A 40 1.584 3.794 -13.139 1.00 0.00 C ATOM 646 O VAL A 40 1.494 3.638 -14.343 1.00 0.00 O ATOM 647 CB VAL A 40 -0.477 4.447 -11.829 1.00 0.00 C ATOM 648 CG1 VAL A 40 -1.150 4.984 -13.095 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.550 3.940 -10.855 1.00 0.00 C ATOM 0 H VAL A 40 0.821 3.315 -10.075 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.068 2.496 -12.708 1.00 0.00 H new ATOM 0 HB VAL A 40 0.094 5.246 -11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.822 5.800 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.389 5.349 -13.785 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.718 4.185 -13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.222 4.758 -10.596 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.119 3.139 -11.326 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.072 3.563 -9.951 1.00 0.00 H new ATOM 659 N ASN A 41 2.631 4.396 -12.605 1.00 0.00 N ATOM 660 CA ASN A 41 3.736 4.902 -13.493 1.00 0.00 C ATOM 661 C ASN A 41 4.337 3.753 -14.314 1.00 0.00 C ATOM 662 O ASN A 41 4.683 3.936 -15.467 1.00 0.00 O ATOM 663 CB ASN A 41 4.808 5.506 -12.571 1.00 0.00 C ATOM 664 CG ASN A 41 4.398 6.928 -12.167 1.00 0.00 C ATOM 665 OD1 ASN A 41 3.637 7.569 -12.865 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.868 7.457 -11.064 1.00 0.00 N ATOM 0 H ASN A 41 2.766 4.556 -11.607 1.00 0.00 H new ATOM 0 HA ASN A 41 3.356 5.644 -14.195 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.930 4.886 -11.683 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.771 5.525 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.595 8.402 -10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.507 6.924 -10.474 1.00 0.00 H new ATOM 673 N GLY A 42 4.470 2.572 -13.743 1.00 0.00 N ATOM 674 CA GLY A 42 5.058 1.438 -14.529 1.00 0.00 C ATOM 675 C GLY A 42 4.850 0.108 -13.793 1.00 0.00 C ATOM 676 O GLY A 42 4.207 -0.792 -14.303 1.00 0.00 O ATOM 0 H GLY A 42 4.201 2.350 -12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.594 1.392 -15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.123 1.611 -14.686 1.00 0.00 H new ATOM 680 N GLY A 43 5.385 -0.025 -12.599 1.00 0.00 N ATOM 681 CA GLY A 43 5.212 -1.296 -11.844 1.00 0.00 C ATOM 682 C GLY A 43 6.568 -2.000 -11.695 1.00 0.00 C ATOM 683 O GLY A 43 6.721 -3.143 -12.082 1.00 0.00 O ATOM 0 H GLY A 43 5.931 0.693 -12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.788 -1.091 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.509 -1.946 -12.365 1.00 0.00 H new ATOM 687 N THR A 44 7.545 -1.337 -11.116 1.00 0.00 N ATOM 688 CA THR A 44 8.877 -1.977 -10.921 1.00 0.00 C ATOM 689 C THR A 44 9.200 -1.994 -9.417 1.00 0.00 C ATOM 690 O THR A 44 9.499 -0.970 -8.837 1.00 0.00 O ATOM 691 CB THR A 44 9.854 -1.089 -11.692 1.00 0.00 C ATOM 692 OG1 THR A 44 9.578 0.276 -11.401 1.00 0.00 O ATOM 693 CG2 THR A 44 9.687 -1.341 -13.194 1.00 0.00 C ATOM 0 H THR A 44 7.472 -0.380 -10.772 1.00 0.00 H new ATOM 0 HA THR A 44 8.923 -3.007 -11.274 1.00 0.00 H new ATOM 0 HB THR A 44 10.877 -1.322 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.204 0.848 -11.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.382 -0.710 -13.748 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.895 -2.388 -13.413 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.665 -1.104 -13.491 1.00 0.00 H new ATOM 701 N VAL A 45 9.113 -3.145 -8.772 1.00 0.00 N ATOM 702 CA VAL A 45 9.389 -3.198 -7.283 1.00 0.00 C ATOM 703 C VAL A 45 10.727 -2.515 -6.936 1.00 0.00 C ATOM 704 O VAL A 45 10.858 -1.931 -5.876 1.00 0.00 O ATOM 705 CB VAL A 45 9.411 -4.694 -6.879 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.868 -4.846 -5.419 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.001 -5.280 -7.005 1.00 0.00 C ATOM 0 H VAL A 45 8.867 -4.037 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 45 8.616 -2.660 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 45 10.103 -5.219 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.879 -5.902 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.870 -4.433 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.180 -4.311 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.018 -6.332 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.321 -4.737 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.660 -5.188 -8.036 1.00 0.00 H new ATOM 717 N GLU A 46 11.718 -2.574 -7.798 1.00 0.00 N ATOM 718 CA GLU A 46 13.024 -1.908 -7.452 1.00 0.00 C ATOM 719 C GLU A 46 12.849 -0.387 -7.478 1.00 0.00 C ATOM 720 O GLU A 46 13.080 0.275 -6.482 1.00 0.00 O ATOM 721 CB GLU A 46 14.051 -2.354 -8.503 1.00 0.00 C ATOM 722 CG GLU A 46 15.460 -1.997 -8.024 1.00 0.00 C ATOM 723 CD GLU A 46 15.851 -2.911 -6.860 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.379 -3.978 -7.123 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.616 -2.526 -5.727 1.00 0.00 O ATOM 0 H GLU A 46 11.685 -3.041 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 46 13.359 -2.188 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.973 -3.428 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.846 -1.868 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.172 -2.107 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.495 -0.954 -7.709 1.00 0.00 H new ATOM 732 N SER A 47 12.421 0.175 -8.588 1.00 0.00 N ATOM 733 CA SER A 47 12.217 1.666 -8.618 1.00 0.00 C ATOM 734 C SER A 47 11.063 2.040 -7.675 1.00 0.00 C ATOM 735 O SER A 47 11.082 3.091 -7.061 1.00 0.00 O ATOM 736 CB SER A 47 11.877 2.054 -10.064 1.00 0.00 C ATOM 737 OG SER A 47 12.505 3.288 -10.378 1.00 0.00 O ATOM 0 H SER A 47 12.208 -0.318 -9.455 1.00 0.00 H new ATOM 0 HA SER A 47 13.112 2.194 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.213 1.277 -10.750 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.797 2.141 -10.185 1.00 0.00 H new ATOM 0 HG SER A 47 12.292 3.538 -11.301 1.00 0.00 H new ATOM 743 N VAL A 48 10.062 1.188 -7.541 1.00 0.00 N ATOM 744 CA VAL A 48 8.927 1.519 -6.614 1.00 0.00 C ATOM 745 C VAL A 48 9.405 1.417 -5.164 1.00 0.00 C ATOM 746 O VAL A 48 9.146 2.299 -4.371 1.00 0.00 O ATOM 747 CB VAL A 48 7.801 0.500 -6.895 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.614 0.765 -5.966 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.334 0.635 -8.348 1.00 0.00 C ATOM 0 H VAL A 48 9.985 0.294 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 48 8.564 2.534 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 48 8.184 -0.505 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.824 0.042 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.935 0.668 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.237 1.773 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.540 -0.085 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.959 1.644 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.171 0.442 -9.019 1.00 0.00 H new ATOM 759 N VAL A 49 10.121 0.369 -4.809 1.00 0.00 N ATOM 760 CA VAL A 49 10.616 0.272 -3.391 1.00 0.00 C ATOM 761 C VAL A 49 11.717 1.321 -3.174 1.00 0.00 C ATOM 762 O VAL A 49 11.796 1.928 -2.122 1.00 0.00 O ATOM 763 CB VAL A 49 11.155 -1.160 -3.195 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.803 -1.297 -1.813 1.00 0.00 C ATOM 765 CG2 VAL A 49 9.995 -2.154 -3.300 1.00 0.00 C ATOM 0 H VAL A 49 10.379 -0.405 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 49 9.824 0.466 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 49 11.900 -1.367 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.180 -2.312 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.628 -0.590 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.063 -1.086 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.371 -3.168 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.256 -1.933 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.531 -2.070 -4.283 1.00 0.00 H new ATOM 775 N ASP A 50 12.557 1.558 -4.164 1.00 0.00 N ATOM 776 CA ASP A 50 13.634 2.595 -3.991 1.00 0.00 C ATOM 777 C ASP A 50 13.009 3.965 -3.670 1.00 0.00 C ATOM 778 O ASP A 50 13.604 4.761 -2.965 1.00 0.00 O ATOM 779 CB ASP A 50 14.405 2.666 -5.319 1.00 0.00 C ATOM 780 CG ASP A 50 15.355 1.471 -5.422 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.904 1.087 -4.403 1.00 0.00 O ATOM 782 OD2 ASP A 50 15.517 0.961 -6.519 1.00 0.00 O ATOM 0 H ASP A 50 12.544 1.087 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 50 14.297 2.331 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.708 2.663 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.968 3.598 -5.376 1.00 0.00 H new ATOM 787 N GLU A 51 11.819 4.255 -4.171 1.00 0.00 N ATOM 788 CA GLU A 51 11.199 5.591 -3.861 1.00 0.00 C ATOM 789 C GLU A 51 10.712 5.624 -2.408 1.00 0.00 C ATOM 790 O GLU A 51 10.889 6.615 -1.722 1.00 0.00 O ATOM 791 CB GLU A 51 10.013 5.770 -4.824 1.00 0.00 C ATOM 792 CG GLU A 51 10.515 6.250 -6.192 1.00 0.00 C ATOM 793 CD GLU A 51 11.219 7.607 -6.057 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.930 8.318 -5.107 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.038 7.912 -6.909 1.00 0.00 O ATOM 0 H GLU A 51 11.265 3.639 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 51 11.925 6.395 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.478 4.827 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.306 6.491 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.203 5.516 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.678 6.335 -6.885 1.00 0.00 H new ATOM 802 N LEU A 52 10.119 4.554 -1.921 1.00 0.00 N ATOM 803 CA LEU A 52 9.653 4.561 -0.490 1.00 0.00 C ATOM 804 C LEU A 52 10.869 4.482 0.443 1.00 0.00 C ATOM 805 O LEU A 52 10.860 5.056 1.512 1.00 0.00 O ATOM 806 CB LEU A 52 8.743 3.330 -0.277 1.00 0.00 C ATOM 807 CG LEU A 52 7.317 3.557 -0.827 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.734 4.891 -0.338 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.346 3.541 -2.354 1.00 0.00 C ATOM 0 H LEU A 52 9.940 3.693 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 52 9.102 5.476 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.186 2.463 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.688 3.101 0.787 1.00 0.00 H new ATOM 0 HG LEU A 52 6.681 2.752 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.730 5.020 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.689 4.891 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.369 5.711 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.339 3.701 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.002 4.333 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.718 2.577 -2.701 1.00 0.00 H new ATOM 821 N ALA A 53 11.921 3.788 0.053 1.00 0.00 N ATOM 822 CA ALA A 53 13.129 3.713 0.948 1.00 0.00 C ATOM 823 C ALA A 53 13.835 5.080 0.980 1.00 0.00 C ATOM 824 O ALA A 53 14.326 5.498 2.011 1.00 0.00 O ATOM 825 CB ALA A 53 14.062 2.644 0.357 1.00 0.00 C ATOM 0 H ALA A 53 11.995 3.280 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 53 12.848 3.454 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.954 2.557 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.545 1.685 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.350 2.931 -0.654 1.00 0.00 H new ATOM 831 N SER A 54 13.883 5.784 -0.135 1.00 0.00 N ATOM 832 CA SER A 54 14.559 7.132 -0.134 1.00 0.00 C ATOM 833 C SER A 54 13.837 8.089 0.831 1.00 0.00 C ATOM 834 O SER A 54 14.468 8.900 1.484 1.00 0.00 O ATOM 835 CB SER A 54 14.481 7.671 -1.570 1.00 0.00 C ATOM 836 OG SER A 54 15.548 7.125 -2.335 1.00 0.00 O ATOM 0 H SER A 54 13.491 5.491 -1.030 1.00 0.00 H new ATOM 0 HA SER A 54 15.594 7.048 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.524 7.406 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.541 8.759 -1.566 1.00 0.00 H new ATOM 0 HG SER A 54 15.260 6.282 -2.743 1.00 0.00 H new ATOM 842 N LEU A 55 12.526 8.002 0.934 1.00 0.00 N ATOM 843 CA LEU A 55 11.788 8.916 1.872 1.00 0.00 C ATOM 844 C LEU A 55 11.547 8.211 3.217 1.00 0.00 C ATOM 845 O LEU A 55 11.680 8.810 4.267 1.00 0.00 O ATOM 846 CB LEU A 55 10.453 9.240 1.188 1.00 0.00 C ATOM 847 CG LEU A 55 10.719 9.911 -0.161 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.450 9.860 -1.016 1.00 0.00 C ATOM 849 CD2 LEU A 55 11.122 11.369 0.066 1.00 0.00 C ATOM 0 H LEU A 55 11.942 7.346 0.416 1.00 0.00 H new ATOM 0 HA LEU A 55 12.356 9.823 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.875 8.327 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.858 9.897 1.822 1.00 0.00 H new ATOM 0 HG LEU A 55 11.525 9.387 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.639 10.338 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.162 8.821 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.644 10.384 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.312 11.848 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.316 11.893 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.025 11.406 0.675 1.00 0.00 H new ATOM 861 N PHE A 56 11.202 6.943 3.193 1.00 0.00 N ATOM 862 CA PHE A 56 10.962 6.200 4.467 1.00 0.00 C ATOM 863 C PHE A 56 12.088 5.175 4.671 1.00 0.00 C ATOM 864 O PHE A 56 11.893 3.989 4.480 1.00 0.00 O ATOM 865 CB PHE A 56 9.611 5.486 4.292 1.00 0.00 C ATOM 866 CG PHE A 56 8.540 6.484 3.908 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.081 7.419 4.844 1.00 0.00 C ATOM 868 CD2 PHE A 56 8.014 6.477 2.610 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.094 8.344 4.481 1.00 0.00 C ATOM 870 CE2 PHE A 56 7.030 7.402 2.249 1.00 0.00 C ATOM 871 CZ PHE A 56 6.569 8.335 3.184 1.00 0.00 C ATOM 0 H PHE A 56 11.077 6.393 2.343 1.00 0.00 H new ATOM 0 HA PHE A 56 10.946 6.860 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.694 4.717 3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.334 4.983 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.488 7.427 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.369 5.757 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.738 9.065 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.625 7.396 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.808 9.048 2.905 1.00 0.00 H new ATOM 881 N ASP A 57 13.268 5.620 5.058 1.00 0.00 N ATOM 882 CA ASP A 57 14.397 4.655 5.271 1.00 0.00 C ATOM 883 C ASP A 57 14.589 4.349 6.770 1.00 0.00 C ATOM 884 O ASP A 57 15.681 4.021 7.195 1.00 0.00 O ATOM 885 CB ASP A 57 15.645 5.341 4.704 1.00 0.00 C ATOM 886 CG ASP A 57 16.583 4.289 4.112 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.335 3.862 2.996 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.534 3.927 4.785 1.00 0.00 O ATOM 0 H ASP A 57 13.493 6.599 5.233 1.00 0.00 H new ATOM 0 HA ASP A 57 14.198 3.703 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.360 6.061 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.156 5.897 5.490 1.00 0.00 H new ATOM 893 N SER A 58 13.544 4.435 7.573 1.00 0.00 N ATOM 894 CA SER A 58 13.700 4.124 9.035 1.00 0.00 C ATOM 895 C SER A 58 13.287 2.668 9.311 1.00 0.00 C ATOM 896 O SER A 58 13.908 1.988 10.106 1.00 0.00 O ATOM 897 CB SER A 58 12.777 5.096 9.777 1.00 0.00 C ATOM 898 OG SER A 58 12.653 6.295 9.024 1.00 0.00 O ATOM 0 H SER A 58 12.604 4.703 7.282 1.00 0.00 H new ATOM 0 HA SER A 58 14.734 4.235 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.797 4.643 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.180 5.314 10.766 1.00 0.00 H new ATOM 0 HG SER A 58 12.062 6.918 9.496 1.00 0.00 H new ATOM 904 N VAL A 59 12.252 2.178 8.655 1.00 0.00 N ATOM 905 CA VAL A 59 11.823 0.756 8.888 1.00 0.00 C ATOM 906 C VAL A 59 12.597 -0.190 7.953 1.00 0.00 C ATOM 907 O VAL A 59 13.079 0.217 6.914 1.00 0.00 O ATOM 908 CB VAL A 59 10.306 0.700 8.605 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.019 0.982 7.120 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.778 -0.688 8.977 1.00 0.00 C ATOM 0 H VAL A 59 11.693 2.696 7.977 1.00 0.00 H new ATOM 0 HA VAL A 59 12.033 0.438 9.909 1.00 0.00 H new ATOM 0 HB VAL A 59 9.806 1.462 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.944 0.938 6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.389 1.974 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.520 0.235 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.707 -0.735 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.290 -1.444 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.960 -0.875 10.035 1.00 0.00 H new ATOM 920 N SER A 60 12.726 -1.450 8.321 1.00 0.00 N ATOM 921 CA SER A 60 13.488 -2.418 7.444 1.00 0.00 C ATOM 922 C SER A 60 12.951 -2.394 5.999 1.00 0.00 C ATOM 923 O SER A 60 11.762 -2.287 5.778 1.00 0.00 O ATOM 924 CB SER A 60 13.282 -3.815 8.052 1.00 0.00 C ATOM 925 OG SER A 60 13.691 -3.798 9.413 1.00 0.00 O ATOM 0 H SER A 60 12.343 -1.849 9.178 1.00 0.00 H new ATOM 0 HA SER A 60 14.543 -2.147 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.234 -4.106 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.858 -4.555 7.496 1.00 0.00 H new ATOM 0 HG SER A 60 13.560 -4.686 9.805 1.00 0.00 H new ATOM 931 N ARG A 61 13.825 -2.500 5.013 1.00 0.00 N ATOM 932 CA ARG A 61 13.356 -2.487 3.575 1.00 0.00 C ATOM 933 C ARG A 61 12.250 -3.535 3.351 1.00 0.00 C ATOM 934 O ARG A 61 11.345 -3.321 2.568 1.00 0.00 O ATOM 935 CB ARG A 61 14.580 -2.830 2.709 1.00 0.00 C ATOM 936 CG ARG A 61 15.361 -1.550 2.394 1.00 0.00 C ATOM 937 CD ARG A 61 15.863 -1.596 0.949 1.00 0.00 C ATOM 938 NE ARG A 61 16.460 -0.254 0.706 1.00 0.00 N ATOM 939 CZ ARG A 61 17.753 -0.129 0.576 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.552 -0.628 1.479 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.247 0.496 -0.458 1.00 0.00 N ATOM 0 H ARG A 61 14.833 -2.594 5.138 1.00 0.00 H new ATOM 0 HA ARG A 61 12.942 -1.513 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.221 -3.540 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.261 -3.310 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.724 -0.678 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.203 -1.448 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.601 -2.387 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.048 -1.797 0.254 1.00 0.00 H new ATOM 0 HE ARG A 61 15.859 0.568 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.166 -1.116 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.562 -0.530 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.623 0.886 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.257 0.594 -0.560 1.00 0.00 H new ATOM 955 N ASP A 62 12.315 -4.664 4.028 1.00 0.00 N ATOM 956 CA ASP A 62 11.248 -5.715 3.832 1.00 0.00 C ATOM 957 C ASP A 62 9.855 -5.128 4.117 1.00 0.00 C ATOM 958 O ASP A 62 8.894 -5.464 3.451 1.00 0.00 O ATOM 959 CB ASP A 62 11.555 -6.850 4.824 1.00 0.00 C ATOM 960 CG ASP A 62 11.002 -8.168 4.279 1.00 0.00 C ATOM 961 OD1 ASP A 62 9.814 -8.400 4.436 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.775 -8.923 3.713 1.00 0.00 O ATOM 0 H ASP A 62 13.046 -4.903 4.697 1.00 0.00 H new ATOM 0 HA ASP A 62 11.248 -6.079 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.631 -6.931 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.109 -6.630 5.794 1.00 0.00 H new ATOM 967 N THR A 63 9.736 -4.253 5.095 1.00 0.00 N ATOM 968 CA THR A 63 8.385 -3.657 5.394 1.00 0.00 C ATOM 969 C THR A 63 7.934 -2.785 4.214 1.00 0.00 C ATOM 970 O THR A 63 6.788 -2.833 3.809 1.00 0.00 O ATOM 971 CB THR A 63 8.544 -2.801 6.666 1.00 0.00 C ATOM 972 OG1 THR A 63 8.966 -3.631 7.744 1.00 0.00 O ATOM 973 CG2 THR A 63 7.204 -2.151 7.021 1.00 0.00 C ATOM 0 H THR A 63 10.499 -3.930 5.689 1.00 0.00 H new ATOM 0 HA THR A 63 7.633 -4.432 5.545 1.00 0.00 H new ATOM 0 HB THR A 63 9.287 -2.024 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.767 -3.188 8.595 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.320 -1.547 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.878 -1.516 6.197 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.459 -2.927 7.198 1.00 0.00 H new ATOM 981 N LEU A 64 8.826 -1.999 3.651 1.00 0.00 N ATOM 982 CA LEU A 64 8.422 -1.139 2.483 1.00 0.00 C ATOM 983 C LEU A 64 8.130 -2.040 1.279 1.00 0.00 C ATOM 984 O LEU A 64 7.144 -1.858 0.589 1.00 0.00 O ATOM 985 CB LEU A 64 9.607 -0.203 2.180 1.00 0.00 C ATOM 986 CG LEU A 64 9.964 0.617 3.434 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.403 0.312 3.862 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.840 2.114 3.128 1.00 0.00 C ATOM 0 H LEU A 64 9.800 -1.915 3.942 1.00 0.00 H new ATOM 0 HA LEU A 64 7.527 -0.556 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.470 -0.787 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.352 0.466 1.358 1.00 0.00 H new ATOM 0 HG LEU A 64 9.278 0.349 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.650 0.895 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.498 -0.750 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.086 0.574 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.094 2.690 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.521 2.378 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.817 2.341 2.829 1.00 0.00 H new ATOM 1000 N ALA A 65 8.969 -3.025 1.033 1.00 0.00 N ATOM 1001 CA ALA A 65 8.710 -3.951 -0.129 1.00 0.00 C ATOM 1002 C ALA A 65 7.357 -4.661 0.058 1.00 0.00 C ATOM 1003 O ALA A 65 6.651 -4.908 -0.901 1.00 0.00 O ATOM 1004 CB ALA A 65 9.850 -4.982 -0.138 1.00 0.00 C ATOM 0 H ALA A 65 9.809 -3.228 1.575 1.00 0.00 H new ATOM 0 HA ALA A 65 8.673 -3.401 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.706 -5.677 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.804 -4.469 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.850 -5.533 0.803 1.00 0.00 H new ATOM 1010 N ASN A 66 6.987 -4.992 1.282 1.00 0.00 N ATOM 1011 CA ASN A 66 5.666 -5.689 1.500 1.00 0.00 C ATOM 1012 C ASN A 66 4.515 -4.813 0.986 1.00 0.00 C ATOM 1013 O ASN A 66 3.578 -5.313 0.391 1.00 0.00 O ATOM 1014 CB ASN A 66 5.525 -5.913 3.015 1.00 0.00 C ATOM 1015 CG ASN A 66 4.606 -7.114 3.270 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.715 -7.383 2.490 1.00 0.00 O ATOM 1017 ND2 ASN A 66 4.781 -7.856 4.338 1.00 0.00 N ATOM 0 H ASN A 66 7.531 -4.814 2.126 1.00 0.00 H new ATOM 0 HA ASN A 66 5.630 -6.635 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.504 -6.090 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.116 -5.021 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.170 -8.655 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.528 -7.634 4.996 1.00 0.00 H new ATOM 1024 N VAL A 67 4.572 -3.511 1.196 1.00 0.00 N ATOM 1025 CA VAL A 67 3.457 -2.633 0.688 1.00 0.00 C ATOM 1026 C VAL A 67 3.535 -2.538 -0.846 1.00 0.00 C ATOM 1027 O VAL A 67 2.521 -2.538 -1.518 1.00 0.00 O ATOM 1028 CB VAL A 67 3.640 -1.252 1.339 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.545 -0.304 0.847 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.538 -1.391 2.862 1.00 0.00 C ATOM 0 H VAL A 67 5.324 -3.027 1.686 1.00 0.00 H new ATOM 0 HA VAL A 67 2.478 -3.039 0.943 1.00 0.00 H new ATOM 0 HB VAL A 67 4.617 -0.852 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.676 0.674 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.609 -0.205 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.568 -0.705 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.667 -0.413 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.559 -1.791 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.315 -2.067 3.218 1.00 0.00 H new ATOM 1040 N VAL A 68 4.723 -2.483 -1.412 1.00 0.00 N ATOM 1041 CA VAL A 68 4.823 -2.428 -2.913 1.00 0.00 C ATOM 1042 C VAL A 68 4.395 -3.792 -3.485 1.00 0.00 C ATOM 1043 O VAL A 68 3.732 -3.856 -4.502 1.00 0.00 O ATOM 1044 CB VAL A 68 6.298 -2.131 -3.246 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.510 -2.153 -4.762 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.669 -0.746 -2.707 1.00 0.00 C ATOM 0 H VAL A 68 5.612 -2.474 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 68 4.179 -1.661 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 68 6.927 -2.892 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.556 -1.942 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.247 -3.136 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.879 -1.397 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.712 -0.532 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.032 0.007 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.528 -0.726 -1.626 1.00 0.00 H new ATOM 1056 N GLN A 69 4.763 -4.886 -2.837 1.00 0.00 N ATOM 1057 CA GLN A 69 4.361 -6.238 -3.366 1.00 0.00 C ATOM 1058 C GLN A 69 2.832 -6.379 -3.379 1.00 0.00 C ATOM 1059 O GLN A 69 2.270 -6.882 -4.335 1.00 0.00 O ATOM 1060 CB GLN A 69 4.979 -7.287 -2.428 1.00 0.00 C ATOM 1061 CG GLN A 69 6.422 -7.568 -2.854 1.00 0.00 C ATOM 1062 CD GLN A 69 6.851 -8.944 -2.335 1.00 0.00 C ATOM 1063 OE1 GLN A 69 7.186 -9.086 -1.175 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.858 -9.977 -3.144 1.00 0.00 N ATOM 0 H GLN A 69 5.315 -4.899 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 69 4.712 -6.370 -4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.956 -6.928 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.394 -8.206 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.504 -7.536 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.085 -6.797 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.578 -9.864 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.144 -10.893 -2.799 1.00 0.00 H new ATOM 1073 N THR A 70 2.151 -5.945 -2.338 1.00 0.00 N ATOM 1074 CA THR A 70 0.647 -6.078 -2.339 1.00 0.00 C ATOM 1075 C THR A 70 0.028 -5.219 -3.458 1.00 0.00 C ATOM 1076 O THR A 70 -1.012 -5.564 -3.988 1.00 0.00 O ATOM 1077 CB THR A 70 0.135 -5.639 -0.954 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.278 -5.780 -0.911 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.505 -4.183 -0.683 1.00 0.00 C ATOM 0 H THR A 70 2.556 -5.515 -1.507 1.00 0.00 H new ATOM 0 HA THR A 70 0.356 -7.111 -2.531 1.00 0.00 H new ATOM 0 HB THR A 70 0.598 -6.267 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.608 -5.503 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.135 -3.890 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.589 -4.072 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.055 -3.546 -1.444 1.00 0.00 H new ATOM 1087 N ALA A 71 0.656 -4.121 -3.847 1.00 0.00 N ATOM 1088 CA ALA A 71 0.068 -3.292 -4.960 1.00 0.00 C ATOM 1089 C ALA A 71 0.147 -4.087 -6.273 1.00 0.00 C ATOM 1090 O ALA A 71 -0.776 -4.068 -7.066 1.00 0.00 O ATOM 1091 CB ALA A 71 0.905 -2.003 -5.062 1.00 0.00 C ATOM 0 H ALA A 71 1.529 -3.772 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.977 -3.048 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.509 -1.374 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.858 -1.463 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.941 -2.259 -5.282 1.00 0.00 H new ATOM 1097 N PHE A 72 1.236 -4.801 -6.507 1.00 0.00 N ATOM 1098 CA PHE A 72 1.337 -5.608 -7.775 1.00 0.00 C ATOM 1099 C PHE A 72 0.250 -6.686 -7.775 1.00 0.00 C ATOM 1100 O PHE A 72 -0.513 -6.802 -8.717 1.00 0.00 O ATOM 1101 CB PHE A 72 2.730 -6.256 -7.783 1.00 0.00 C ATOM 1102 CG PHE A 72 3.747 -5.230 -8.214 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.821 -4.845 -9.554 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.608 -4.657 -7.272 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.755 -3.886 -9.955 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.543 -3.699 -7.674 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.616 -3.312 -9.011 1.00 0.00 C ATOM 0 H PHE A 72 2.043 -4.858 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 72 1.200 -4.985 -8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.975 -6.635 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.745 -7.109 -8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.156 -5.288 -10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.550 -4.955 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.813 -3.588 -10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.210 -3.258 -6.948 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.337 -2.569 -9.319 1.00 0.00 H new ATOM 1117 N PHE A 73 0.154 -7.471 -6.717 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.917 -8.531 -6.672 1.00 0.00 C ATOM 1119 C PHE A 73 -2.300 -7.871 -6.808 1.00 0.00 C ATOM 1120 O PHE A 73 -3.179 -8.401 -7.461 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.796 -9.230 -5.307 1.00 0.00 C ATOM 1122 CG PHE A 73 0.262 -10.304 -5.383 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.121 -11.361 -6.289 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.383 -10.244 -4.546 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.102 -12.359 -6.359 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.363 -11.240 -4.615 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.223 -12.298 -5.522 1.00 0.00 C ATOM 0 H PHE A 73 0.759 -7.425 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.801 -9.248 -7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.537 -8.504 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.754 -9.667 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.744 -11.408 -6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.491 -9.428 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.994 -13.175 -7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.227 -11.193 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.980 -13.067 -5.576 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.499 -6.712 -6.203 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.836 -6.031 -6.324 1.00 0.00 C ATOM 1139 C ALA A 74 -4.125 -5.714 -7.796 1.00 0.00 C ATOM 1140 O ALA A 74 -5.232 -5.902 -8.265 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.753 -4.731 -5.508 1.00 0.00 C ATOM 0 H ALA A 74 -1.806 -6.218 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.638 -6.669 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.704 -4.203 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.534 -4.968 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.961 -4.099 -5.910 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.141 -5.237 -8.536 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.393 -4.918 -9.991 1.00 0.00 C ATOM 1149 C LEU A 75 -3.887 -6.172 -10.726 1.00 0.00 C ATOM 1150 O LEU A 75 -4.791 -6.100 -11.538 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.059 -4.448 -10.595 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.023 -2.921 -10.630 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.629 -2.456 -11.052 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.058 -2.412 -11.639 1.00 0.00 C ATOM 0 H LEU A 75 -2.193 -5.057 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.155 -4.145 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.226 -4.828 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.943 -4.848 -11.602 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.254 -2.527 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.601 -1.367 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.108 -2.821 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.399 -2.848 -12.043 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.035 -1.323 -11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.825 -2.805 -12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.052 -2.746 -11.341 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.312 -7.322 -10.443 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.781 -8.574 -11.135 1.00 0.00 C ATOM 1168 C GLU A 76 -5.179 -8.947 -10.626 1.00 0.00 C ATOM 1169 O GLU A 76 -6.034 -9.344 -11.395 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.771 -9.681 -10.792 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.154 -10.966 -11.528 1.00 0.00 C ATOM 1172 CD GLU A 76 -4.037 -11.829 -10.623 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -3.795 -11.839 -9.428 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -4.940 -12.465 -11.142 1.00 0.00 O ATOM 0 H GLU A 76 -2.552 -7.449 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.842 -8.434 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.765 -9.372 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.758 -9.856 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.684 -10.726 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.257 -11.517 -11.811 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.428 -8.808 -9.339 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.795 -9.144 -8.810 1.00 0.00 C ATOM 1183 C ALA A 77 -7.803 -8.091 -9.290 1.00 0.00 C ATOM 1184 O ALA A 77 -8.921 -8.419 -9.642 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.700 -9.136 -7.275 1.00 0.00 C ATOM 0 H ALA A 77 -4.757 -8.482 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.130 -10.119 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.674 -9.376 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.970 -9.878 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.389 -8.148 -6.935 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.417 -6.831 -9.330 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.376 -5.778 -9.818 1.00 0.00 C ATOM 1193 C LEU A 78 -8.688 -6.021 -11.302 1.00 0.00 C ATOM 1194 O LEU A 78 -9.812 -5.849 -11.735 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.683 -4.419 -9.634 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.578 -4.095 -8.144 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.687 -2.867 -7.951 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.974 -3.802 -7.586 1.00 0.00 C ATOM 0 H LEU A 78 -6.497 -6.491 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.314 -5.806 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.690 -4.442 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.246 -3.640 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.146 -4.946 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.612 -2.635 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.693 -3.072 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.120 -2.017 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.900 -3.571 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.405 -2.951 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.612 -4.675 -7.724 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.707 -6.426 -12.091 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.983 -6.682 -13.551 1.00 0.00 C ATOM 1212 C GLN A 79 -9.094 -7.736 -13.716 1.00 0.00 C ATOM 1213 O GLN A 79 -9.849 -7.690 -14.669 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.673 -7.197 -14.168 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.779 -6.011 -14.532 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.462 -6.526 -15.128 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.472 -7.355 -16.015 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.317 -6.070 -14.678 1.00 0.00 N ATOM 0 H GLN A 79 -6.745 -6.587 -11.793 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.320 -5.770 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.159 -7.850 -13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.886 -7.791 -15.056 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.287 -5.366 -15.249 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.578 -5.408 -13.646 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.303 -5.373 -13.933 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.441 -6.412 -15.073 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.208 -8.684 -12.803 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.288 -9.724 -12.943 1.00 0.00 C ATOM 1229 C GLN A 80 -11.597 -9.219 -12.319 1.00 0.00 C ATOM 1230 O GLN A 80 -12.666 -9.438 -12.860 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.793 -10.979 -12.207 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.036 -11.879 -13.187 1.00 0.00 C ATOM 1233 CD GLN A 80 -7.558 -11.465 -13.226 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -7.251 -10.297 -13.350 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -6.622 -12.378 -13.128 1.00 0.00 N ATOM 0 H GLN A 80 -8.611 -8.781 -11.982 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.488 -9.942 -13.992 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.142 -10.696 -11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.637 -11.519 -11.778 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.125 -12.922 -12.882 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.473 -11.800 -14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.877 -13.360 -13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.639 -12.106 -13.156 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.530 -8.543 -11.192 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.778 -8.029 -10.554 1.00 0.00 C ATOM 1246 C GLY A 81 -12.734 -8.279 -9.039 1.00 0.00 C ATOM 1247 O GLY A 81 -13.334 -9.217 -8.547 1.00 0.00 O ATOM 0 H GLY A 81 -10.667 -8.328 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.885 -6.963 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.648 -8.523 -10.987 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.036 -7.448 -8.292 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.969 -7.646 -6.812 1.00 0.00 C ATOM 1253 C GLU A 82 -12.538 -6.412 -6.093 1.00 0.00 C ATOM 1254 O GLU A 82 -12.807 -5.402 -6.717 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.479 -7.815 -6.497 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.181 -9.284 -6.184 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.756 -9.641 -4.812 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -11.806 -9.118 -4.477 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.135 -10.432 -4.119 1.00 0.00 O ATOM 0 H GLU A 82 -11.514 -6.646 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.551 -8.507 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.879 -7.485 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.204 -7.189 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.616 -9.925 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.105 -9.458 -6.196 1.00 0.00 H new ATOM 1266 N SER A 83 -12.724 -6.478 -4.789 1.00 0.00 N ATOM 1267 CA SER A 83 -13.274 -5.300 -4.053 1.00 0.00 C ATOM 1268 C SER A 83 -12.237 -4.749 -3.065 1.00 0.00 C ATOM 1269 O SER A 83 -11.582 -5.500 -2.366 1.00 0.00 O ATOM 1270 CB SER A 83 -14.494 -5.828 -3.298 1.00 0.00 C ATOM 1271 OG SER A 83 -15.537 -6.102 -4.223 1.00 0.00 O ATOM 0 H SER A 83 -12.518 -7.294 -4.212 1.00 0.00 H new ATOM 0 HA SER A 83 -13.532 -4.486 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.233 -6.733 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.827 -5.094 -2.564 1.00 0.00 H new ATOM 0 HG SER A 83 -16.320 -6.442 -3.742 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.082 -3.443 -2.996 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.083 -2.856 -2.039 1.00 0.00 C ATOM 1279 C ALA A 84 -11.773 -2.373 -0.745 1.00 0.00 C ATOM 1280 O ALA A 84 -11.188 -2.431 0.320 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.435 -1.676 -2.779 1.00 0.00 C ATOM 0 H ALA A 84 -12.599 -2.765 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.343 -3.597 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.695 -1.204 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.948 -2.038 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.202 -0.948 -3.045 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.005 -1.896 -0.816 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.698 -1.413 0.438 1.00 0.00 C ATOM 1289 C GLU A 85 -13.713 -2.519 1.506 1.00 0.00 C ATOM 1290 O GLU A 85 -13.554 -2.247 2.682 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.138 -1.050 0.038 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.128 0.232 -0.796 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.544 0.528 -1.294 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.990 -0.161 -2.195 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.158 1.440 -0.764 1.00 0.00 O ATOM 0 H GLU A 85 -13.553 -1.821 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.176 -0.554 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.584 -1.864 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.750 -0.912 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.760 1.065 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.449 0.123 -1.642 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.899 -3.762 1.112 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.915 -4.876 2.133 1.00 0.00 C ATOM 1304 C ASN A 86 -12.599 -4.888 2.927 1.00 0.00 C ATOM 1305 O ASN A 86 -12.597 -5.143 4.118 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.073 -6.191 1.353 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.516 -6.317 0.847 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.422 -5.756 1.430 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.774 -7.033 -0.220 1.00 0.00 N ATOM 0 H ASN A 86 -14.039 -4.054 0.145 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.730 -4.741 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.379 -6.213 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.826 -7.038 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.733 -7.118 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.016 -7.506 -0.713 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.479 -4.608 2.288 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.176 -4.605 3.044 1.00 0.00 C ATOM 1318 C ILE A 87 -10.201 -3.499 4.116 1.00 0.00 C ATOM 1319 O ILE A 87 -9.699 -3.687 5.209 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.062 -4.337 2.014 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.055 -5.459 0.968 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.704 -4.297 2.719 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.700 -4.879 -0.404 1.00 0.00 C ATOM 0 H ILE A 87 -11.410 -4.386 1.295 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.007 -5.555 3.551 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.246 -3.379 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.333 -6.226 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.032 -5.940 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.919 -4.107 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.704 -3.502 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.520 -5.253 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.695 -5.677 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.439 -4.128 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.713 -4.419 -0.360 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.782 -2.348 3.821 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.823 -1.250 4.857 1.00 0.00 C ATOM 1337 C VAL A 88 -11.560 -1.737 6.115 1.00 0.00 C ATOM 1338 O VAL A 88 -11.182 -1.398 7.221 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.565 -0.058 4.223 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.655 1.094 5.229 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.795 0.417 2.991 1.00 0.00 C ATOM 0 H VAL A 88 -11.221 -2.125 2.928 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.817 -0.959 5.158 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.570 -0.371 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.181 1.934 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.198 0.762 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.651 1.407 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.317 1.261 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.792 0.726 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.727 -0.396 2.269 1.00 0.00 H new ATOM 1351 N SER A 89 -12.603 -2.534 5.966 1.00 0.00 N ATOM 1352 CA SER A 89 -13.339 -3.035 7.188 1.00 0.00 C ATOM 1353 C SER A 89 -12.350 -3.742 8.126 1.00 0.00 C ATOM 1354 O SER A 89 -12.383 -3.548 9.327 1.00 0.00 O ATOM 1355 CB SER A 89 -14.404 -4.026 6.693 1.00 0.00 C ATOM 1356 OG SER A 89 -14.968 -4.703 7.808 1.00 0.00 O ATOM 0 H SER A 89 -12.972 -2.855 5.071 1.00 0.00 H new ATOM 0 HA SER A 89 -13.802 -2.216 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.182 -3.497 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.958 -4.744 6.004 1.00 0.00 H new ATOM 0 HG SER A 89 -15.649 -5.335 7.497 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.450 -4.538 7.583 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.441 -5.225 8.466 1.00 0.00 C ATOM 1364 C LYS A 90 -9.446 -4.186 9.007 1.00 0.00 C ATOM 1365 O LYS A 90 -9.016 -4.277 10.142 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.713 -6.261 7.593 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.501 -7.573 7.594 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.945 -8.503 8.674 1.00 0.00 C ATOM 1369 CE LYS A 90 -11.026 -9.503 9.094 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.619 -8.927 10.333 1.00 0.00 N ATOM 0 H LYS A 90 -11.370 -4.739 6.586 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.919 -5.711 9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.611 -5.887 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.705 -6.429 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.557 -7.375 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.432 -8.051 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.071 -9.034 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.618 -7.922 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.778 -9.622 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.601 -10.489 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.370 -9.556 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.881 -8.831 11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.021 -7.991 10.123 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.088 -3.189 8.218 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.133 -2.147 8.732 1.00 0.00 C ATOM 1386 C ILE A 91 -8.843 -1.277 9.778 1.00 0.00 C ATOM 1387 O ILE A 91 -8.257 -0.914 10.781 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.696 -1.299 7.519 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -6.999 -2.188 6.475 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.727 -0.205 7.977 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.808 -2.916 7.110 1.00 0.00 C ATOM 0 H ILE A 91 -9.410 -3.055 7.259 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.263 -2.599 9.208 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.580 -0.844 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.707 -2.914 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.658 -1.579 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.420 0.392 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.221 0.436 8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.849 -0.664 8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.323 -3.542 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.094 -2.184 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.159 -3.540 7.932 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.102 -0.947 9.566 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.828 -0.105 10.581 1.00 0.00 C ATOM 1405 C ARG A 92 -10.887 -0.844 11.926 1.00 0.00 C ATOM 1406 O ARG A 92 -10.749 -0.234 12.971 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.247 0.131 10.040 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.269 1.411 9.200 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.735 2.585 10.066 1.00 0.00 C ATOM 1410 NE ARG A 92 -11.883 3.734 9.649 1.00 0.00 N ATOM 1411 CZ ARG A 92 -11.189 4.388 10.541 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -10.311 3.761 11.274 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -11.374 5.671 10.698 1.00 0.00 N ATOM 0 H ARG A 92 -10.650 -1.219 8.749 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.315 0.843 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.563 -0.719 9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.953 0.214 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.275 1.613 8.800 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.937 1.287 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.792 2.799 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.611 2.366 11.127 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.842 4.009 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.166 2.759 11.151 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.769 4.273 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.060 6.161 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.832 6.183 11.394 1.00 0.00 H new ATOM 1427 N MET A 93 -11.073 -2.149 11.916 1.00 0.00 N ATOM 1428 CA MET A 93 -11.117 -2.897 13.221 1.00 0.00 C ATOM 1429 C MET A 93 -9.703 -2.983 13.810 1.00 0.00 C ATOM 1430 O MET A 93 -9.517 -2.831 15.003 1.00 0.00 O ATOM 1431 CB MET A 93 -11.660 -4.302 12.916 1.00 0.00 C ATOM 1432 CG MET A 93 -13.139 -4.206 12.536 1.00 0.00 C ATOM 1433 SD MET A 93 -13.824 -5.871 12.355 1.00 0.00 S ATOM 1434 CE MET A 93 -15.497 -5.376 11.870 1.00 0.00 C ATOM 0 H MET A 93 -11.194 -2.719 11.079 1.00 0.00 H new ATOM 0 HA MET A 93 -11.754 -2.393 13.948 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.093 -4.754 12.102 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.538 -4.947 13.786 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.687 -3.657 13.301 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.251 -3.652 11.604 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.106 -6.265 11.704 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.942 -4.774 12.662 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.451 -4.790 10.952 1.00 0.00 H new ATOM 1444 N MET A 94 -8.701 -3.202 12.985 1.00 0.00 N ATOM 1445 CA MET A 94 -7.297 -3.269 13.523 1.00 0.00 C ATOM 1446 C MET A 94 -6.823 -1.860 13.906 1.00 0.00 C ATOM 1447 O MET A 94 -6.139 -1.684 14.898 1.00 0.00 O ATOM 1448 CB MET A 94 -6.415 -3.848 12.406 1.00 0.00 C ATOM 1449 CG MET A 94 -5.049 -4.228 12.978 1.00 0.00 C ATOM 1450 SD MET A 94 -3.813 -4.204 11.655 1.00 0.00 S ATOM 1451 CE MET A 94 -4.235 -5.804 10.922 1.00 0.00 C ATOM 0 H MET A 94 -8.790 -3.335 11.978 1.00 0.00 H new ATOM 0 HA MET A 94 -7.244 -3.894 14.414 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.894 -4.724 11.968 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.295 -3.117 11.607 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.766 -3.531 13.767 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.095 -5.219 13.430 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.583 -5.997 10.070 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.104 -6.591 11.665 1.00 0.00 H new ATOM 0 HE3 MET A 94 -5.273 -5.789 10.588 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.192 -0.847 13.143 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.759 0.548 13.507 1.00 0.00 C ATOM 1463 C ASN A 95 -7.544 1.030 14.736 1.00 0.00 C ATOM 1464 O ASN A 95 -7.006 1.730 15.576 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.054 1.444 12.293 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.842 1.447 11.351 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.527 0.361 10.686 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.171 2.450 11.217 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.763 -0.924 12.301 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.698 0.580 13.755 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.936 1.081 11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.274 2.459 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.412 3.297 11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.367 2.446 10.590 1.00 0.00 H new