USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -0.491 K(o=-2.9,f=-3.8) USER MOD Set 1.2: A 32 GLN : amide:sc= -2.44 K(o=-2.9,f=-4.8!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.055 K(o=0.14,f=-1.5) USER MOD Set 2.2: A 24 ASN : amide:sc= 0 X(o=0.14,f=0.14) USER MOD Set 2.3: A 30 THR OG1 : rot 168:sc= 0.0846 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -152:sc= -0.144 (180deg=-0.678) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.0125 X(o=-0.16,f=-0.05) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.0133 USER MOD Single : A 35 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.14) USER MOD Single : A 38 GLN : amide:sc=-0.00939 X(o=-0.0094,f=-0.018) USER MOD Single : A 44 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0412) USER MOD Single : A 55 MET CE :methyl 146:sc= -19.6! (180deg=-25!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -174:sc= -3.91! (180deg=-3.95) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -172:sc= -0.806 (180deg=-0.905) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.95 K(o=-2,f=-2.9) USER MOD Single : A 81 MET CE :methyl 179:sc= -15.9! (180deg=-16!) USER MOD Single : A 82 THR OG1 : rot 165:sc= 0.438 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -165:sc= -5.92! (180deg=-7.22!) USER MOD Single : A 91 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 93 SER OG : rot 56:sc= -0.5! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.238! USER MOD Single : A 101 HIS :FLIP no HD1:sc= -4.25! C(o=-5.4!,f=-4.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.540 -8.790 11.396 1.00 0.00 N ATOM 50 CA GLU A 4 -5.223 -8.067 10.176 1.00 0.00 C ATOM 51 C GLU A 4 -3.850 -7.401 10.296 1.00 0.00 C ATOM 52 O GLU A 4 -3.430 -7.030 11.390 1.00 0.00 O ATOM 53 CB GLU A 4 -6.306 -7.035 9.852 1.00 0.00 C ATOM 54 CG GLU A 4 -6.732 -7.130 8.386 1.00 0.00 C ATOM 55 CD GLU A 4 -8.254 -7.227 8.262 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.902 -6.166 8.392 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.734 -8.359 8.042 1.00 0.00 O ATOM 0 HA GLU A 4 -5.190 -8.780 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.170 -7.195 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.933 -6.033 10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.374 -6.256 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.270 -8.003 7.925 1.00 0.00 H new ATOM 64 N LYS A 5 -3.190 -7.270 9.154 1.00 0.00 N ATOM 65 CA LYS A 5 -1.874 -6.656 9.117 1.00 0.00 C ATOM 66 C LYS A 5 -1.765 -5.768 7.877 1.00 0.00 C ATOM 67 O LYS A 5 -2.211 -6.148 6.795 1.00 0.00 O ATOM 68 CB LYS A 5 -0.781 -7.724 9.207 1.00 0.00 C ATOM 69 CG LYS A 5 -0.909 -8.532 10.500 1.00 0.00 C ATOM 70 CD LYS A 5 -0.215 -7.820 11.663 1.00 0.00 C ATOM 71 CE LYS A 5 1.302 -8.013 11.597 1.00 0.00 C ATOM 72 NZ LYS A 5 1.792 -8.684 12.821 1.00 0.00 N ATOM 0 H LYS A 5 -3.542 -7.579 8.248 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.730 -6.012 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.849 -8.392 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.200 -7.250 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.962 -8.681 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.471 -9.520 10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.451 -6.756 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.594 -8.207 12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.561 -8.607 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.793 -7.047 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.776 -8.401 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.199 -8.408 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.746 -9.715 12.694 1.00 0.00 H new ATOM 86 N ILE A 6 -1.169 -4.601 8.074 1.00 0.00 N ATOM 87 CA ILE A 6 -0.996 -3.655 6.984 1.00 0.00 C ATOM 88 C ILE A 6 0.257 -2.815 7.238 1.00 0.00 C ATOM 89 O ILE A 6 0.652 -2.615 8.386 1.00 0.00 O ATOM 90 CB ILE A 6 -2.266 -2.824 6.790 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.259 -3.545 5.877 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.930 -1.422 6.277 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.437 -4.101 6.680 1.00 0.00 C ATOM 0 H ILE A 6 -0.800 -4.289 8.972 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.841 -4.182 6.042 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.748 -2.706 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.626 -2.856 5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.754 -4.358 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.850 -0.852 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.287 -0.915 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.413 -1.499 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.128 -4.609 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.069 -4.808 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.954 -3.283 7.182 1.00 0.00 H new ATOM 105 N LEU A 7 0.846 -2.344 6.149 1.00 0.00 N ATOM 106 CA LEU A 7 2.046 -1.530 6.239 1.00 0.00 C ATOM 107 C LEU A 7 1.894 -0.303 5.338 1.00 0.00 C ATOM 108 O LEU A 7 1.288 -0.385 4.270 1.00 0.00 O ATOM 109 CB LEU A 7 3.288 -2.369 5.932 1.00 0.00 C ATOM 110 CG LEU A 7 4.439 -2.255 6.932 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.254 -3.230 8.096 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.790 -2.442 6.238 1.00 0.00 C ATOM 0 H LEU A 7 0.514 -2.511 5.199 1.00 0.00 H new ATOM 0 HA LEU A 7 2.182 -1.164 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.989 -3.415 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.659 -2.085 4.947 1.00 0.00 H new ATOM 0 HG LEU A 7 4.428 -1.248 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.087 -3.128 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.320 -3.007 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.223 -4.251 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.591 -2.356 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.827 -3.428 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.915 -1.676 5.473 1.00 0.00 H new ATOM 124 N ILE A 8 2.454 0.805 5.800 1.00 0.00 N ATOM 125 CA ILE A 8 2.388 2.046 5.048 1.00 0.00 C ATOM 126 C ILE A 8 3.797 2.441 4.600 1.00 0.00 C ATOM 127 O ILE A 8 4.772 2.177 5.301 1.00 0.00 O ATOM 128 CB ILE A 8 1.676 3.128 5.863 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.209 2.762 6.098 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.825 4.500 5.201 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.296 3.342 7.420 1.00 0.00 C ATOM 0 H ILE A 8 2.956 0.869 6.686 1.00 0.00 H new ATOM 0 HA ILE A 8 1.791 1.914 4.145 1.00 0.00 H new ATOM 0 HB ILE A 8 2.153 3.188 6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.400 3.138 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.098 1.678 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.310 5.251 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.882 4.756 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.389 4.471 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.341 3.067 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.299 2.945 8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.206 4.428 7.399 1.00 0.00 H new ATOM 143 N VAL A 9 3.858 3.068 3.434 1.00 0.00 N ATOM 144 CA VAL A 9 5.131 3.502 2.884 1.00 0.00 C ATOM 145 C VAL A 9 4.911 4.747 2.022 1.00 0.00 C ATOM 146 O VAL A 9 3.999 4.782 1.198 1.00 0.00 O ATOM 147 CB VAL A 9 5.789 2.353 2.118 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.249 2.675 1.793 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.677 1.040 2.895 1.00 0.00 C ATOM 0 H VAL A 9 3.047 3.286 2.855 1.00 0.00 H new ATOM 0 HA VAL A 9 5.819 3.777 3.684 1.00 0.00 H new ATOM 0 HB VAL A 9 5.255 2.231 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.693 1.842 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.295 3.575 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.800 2.838 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.153 0.240 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.173 1.145 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.626 0.798 3.051 1.00 0.00 H new ATOM 159 N ASP A 10 5.762 5.738 2.242 1.00 0.00 N ATOM 160 CA ASP A 10 5.673 6.981 1.495 1.00 0.00 C ATOM 161 C ASP A 10 4.224 7.473 1.504 1.00 0.00 C ATOM 162 O ASP A 10 3.358 6.852 2.119 1.00 0.00 O ATOM 163 CB ASP A 10 6.095 6.781 0.039 1.00 0.00 C ATOM 164 CG ASP A 10 7.430 6.057 -0.154 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.179 5.974 0.843 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.670 5.604 -1.294 1.00 0.00 O ATOM 0 H ASP A 10 6.517 5.705 2.927 1.00 0.00 H new ATOM 0 HA ASP A 10 6.337 7.705 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.316 6.218 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.155 7.757 -0.444 1.00 0.00 H new ATOM 171 N ASP A 11 4.005 8.583 0.815 1.00 0.00 N ATOM 172 CA ASP A 11 2.676 9.165 0.735 1.00 0.00 C ATOM 173 C ASP A 11 2.211 9.556 2.139 1.00 0.00 C ATOM 174 O ASP A 11 1.039 9.871 2.344 1.00 0.00 O ATOM 175 CB ASP A 11 1.670 8.164 0.165 1.00 0.00 C ATOM 176 CG ASP A 11 0.411 8.786 -0.442 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.473 9.137 -1.640 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.584 8.898 0.306 1.00 0.00 O ATOM 0 H ASP A 11 4.726 9.095 0.307 1.00 0.00 H new ATOM 0 HA ASP A 11 2.727 10.036 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.167 7.568 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.372 7.479 0.959 1.00 0.00 H new ATOM 183 N GLN A 12 3.152 9.523 3.071 1.00 0.00 N ATOM 184 CA GLN A 12 2.853 9.870 4.450 1.00 0.00 C ATOM 185 C GLN A 12 2.737 11.388 4.602 1.00 0.00 C ATOM 186 O GLN A 12 3.718 12.109 4.431 1.00 0.00 O ATOM 187 CB GLN A 12 3.910 9.303 5.400 1.00 0.00 C ATOM 188 CG GLN A 12 5.319 9.526 4.847 1.00 0.00 C ATOM 189 CD GLN A 12 6.328 9.724 5.981 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.239 8.939 6.181 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.114 10.816 6.709 1.00 0.00 N ATOM 0 H GLN A 12 4.123 9.261 2.898 1.00 0.00 H new ATOM 0 HA GLN A 12 1.895 9.423 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.819 9.778 6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.738 8.237 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.614 8.672 4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.324 10.399 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.332 11.432 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.732 11.038 7.489 1.00 0.00 H new ATOM 200 N TYR A 13 1.528 11.827 4.922 1.00 0.00 N ATOM 201 CA TYR A 13 1.271 13.246 5.099 1.00 0.00 C ATOM 202 C TYR A 13 0.019 13.475 5.949 1.00 0.00 C ATOM 203 O TYR A 13 -0.656 14.493 5.805 1.00 0.00 O ATOM 204 CB TYR A 13 1.031 13.810 3.697 1.00 0.00 C ATOM 205 CG TYR A 13 1.867 15.050 3.373 1.00 0.00 C ATOM 206 CD1 TYR A 13 1.547 16.265 3.943 1.00 0.00 C ATOM 207 CD2 TYR A 13 2.940 14.953 2.511 1.00 0.00 C ATOM 208 CE1 TYR A 13 2.333 17.432 3.638 1.00 0.00 C ATOM 209 CE2 TYR A 13 3.726 16.120 2.206 1.00 0.00 C ATOM 210 CZ TYR A 13 3.384 17.302 2.785 1.00 0.00 C ATOM 211 OH TYR A 13 4.127 18.404 2.497 1.00 0.00 O ATOM 0 H TYR A 13 0.717 11.225 5.063 1.00 0.00 H new ATOM 0 HA TYR A 13 2.108 13.727 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.250 13.035 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.025 14.059 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.707 16.341 4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.190 14.002 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.093 18.389 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.568 16.058 1.533 1.00 0.00 H new ATOM 0 HH TYR A 13 4.845 18.161 1.875 1.00 0.00 H new ATOM 221 N GLY A 14 -0.253 12.510 6.816 1.00 0.00 N ATOM 222 CA GLY A 14 -1.411 12.593 7.689 1.00 0.00 C ATOM 223 C GLY A 14 -2.511 11.633 7.232 1.00 0.00 C ATOM 224 O GLY A 14 -3.509 11.450 7.929 1.00 0.00 O ATOM 0 H GLY A 14 0.309 11.667 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.118 12.356 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.794 13.614 7.696 1.00 0.00 H new ATOM 228 N ILE A 15 -2.293 11.046 6.065 1.00 0.00 N ATOM 229 CA ILE A 15 -3.254 10.109 5.508 1.00 0.00 C ATOM 230 C ILE A 15 -2.923 8.696 5.994 1.00 0.00 C ATOM 231 O ILE A 15 -3.824 7.903 6.266 1.00 0.00 O ATOM 232 CB ILE A 15 -3.306 10.238 3.984 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.926 11.573 3.568 1.00 0.00 C ATOM 234 CG2 ILE A 15 -4.034 9.047 3.357 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.847 12.565 3.126 1.00 0.00 C ATOM 0 H ILE A 15 -1.465 11.201 5.490 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.259 10.340 5.860 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.284 10.226 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.632 11.412 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.490 11.991 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.057 9.164 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.511 8.125 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.054 9.002 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.315 13.506 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.156 12.742 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.301 12.154 2.277 1.00 0.00 H new ATOM 247 N ARG A 16 -1.630 8.425 6.089 1.00 0.00 N ATOM 248 CA ARG A 16 -1.170 7.122 6.538 1.00 0.00 C ATOM 249 C ARG A 16 -1.814 6.764 7.879 1.00 0.00 C ATOM 250 O ARG A 16 -2.161 5.609 8.117 1.00 0.00 O ATOM 251 CB ARG A 16 0.352 7.097 6.688 1.00 0.00 C ATOM 252 CG ARG A 16 0.853 8.350 7.409 1.00 0.00 C ATOM 253 CD ARG A 16 2.276 8.150 7.933 1.00 0.00 C ATOM 254 NE ARG A 16 2.238 7.595 9.304 1.00 0.00 N ATOM 255 CZ ARG A 16 3.231 7.725 10.195 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.345 8.392 9.864 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.109 7.189 11.417 1.00 0.00 N ATOM 0 H ARG A 16 -0.886 9.085 5.863 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.462 6.390 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.652 6.209 7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.817 7.029 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.829 9.200 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.187 8.588 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.823 7.476 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.810 9.100 7.931 1.00 0.00 H new ATOM 0 HE ARG A 16 1.404 7.081 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.437 8.801 8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.101 8.491 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.261 6.682 11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.865 7.288 12.095 1.00 0.00 H new ATOM 271 N ILE A 17 -1.954 7.778 8.720 1.00 0.00 N ATOM 272 CA ILE A 17 -2.551 7.586 10.031 1.00 0.00 C ATOM 273 C ILE A 17 -4.058 7.372 9.875 1.00 0.00 C ATOM 274 O ILE A 17 -4.662 6.610 10.628 1.00 0.00 O ATOM 275 CB ILE A 17 -2.187 8.745 10.961 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.669 8.899 11.078 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.853 8.581 12.328 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.249 10.358 10.889 1.00 0.00 C ATOM 0 H ILE A 17 -1.664 8.735 8.519 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.149 6.690 10.504 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.571 9.667 10.524 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.338 8.545 12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.178 8.276 10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.578 9.418 12.970 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.936 8.559 12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.521 7.649 12.785 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.834 10.439 10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.560 10.701 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.722 10.975 11.653 1.00 0.00 H new ATOM 290 N LEU A 18 -4.621 8.059 8.892 1.00 0.00 N ATOM 291 CA LEU A 18 -6.046 7.955 8.628 1.00 0.00 C ATOM 292 C LEU A 18 -6.437 6.478 8.540 1.00 0.00 C ATOM 293 O LEU A 18 -7.249 5.999 9.330 1.00 0.00 O ATOM 294 CB LEU A 18 -6.422 8.765 7.386 1.00 0.00 C ATOM 295 CG LEU A 18 -7.882 9.213 7.293 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.067 10.606 7.898 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.386 9.143 5.850 1.00 0.00 C ATOM 0 H LEU A 18 -4.116 8.690 8.269 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.618 8.389 9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.788 9.651 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.189 8.169 6.504 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.489 8.524 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.113 10.901 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.773 10.589 8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.447 11.322 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.426 9.467 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.780 9.795 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.312 8.118 5.488 1.00 0.00 H new ATOM 309 N LEU A 19 -5.841 5.798 7.572 1.00 0.00 N ATOM 310 CA LEU A 19 -6.117 4.385 7.370 1.00 0.00 C ATOM 311 C LEU A 19 -5.512 3.583 8.524 1.00 0.00 C ATOM 312 O LEU A 19 -5.924 2.453 8.782 1.00 0.00 O ATOM 313 CB LEU A 19 -5.634 3.937 5.990 1.00 0.00 C ATOM 314 CG LEU A 19 -4.365 3.082 5.968 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.175 3.853 6.544 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.588 1.750 6.687 1.00 0.00 C ATOM 0 H LEU A 19 -5.168 6.199 6.919 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.191 4.200 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.436 3.374 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.461 4.825 5.382 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.127 2.851 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.286 3.223 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.002 4.751 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.389 4.135 7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.671 1.162 6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.864 1.938 7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.388 1.199 6.193 1.00 0.00 H new ATOM 328 N ASN A 20 -4.545 4.198 9.188 1.00 0.00 N ATOM 329 CA ASN A 20 -3.879 3.554 10.308 1.00 0.00 C ATOM 330 C ASN A 20 -4.887 3.340 11.439 1.00 0.00 C ATOM 331 O ASN A 20 -5.109 2.210 11.871 1.00 0.00 O ATOM 332 CB ASN A 20 -2.742 4.425 10.846 1.00 0.00 C ATOM 333 CG ASN A 20 -1.881 3.646 11.844 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.076 2.466 12.083 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.920 4.371 12.410 1.00 0.00 N ATOM 0 H ASN A 20 -4.206 5.136 8.972 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.472 2.605 9.960 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.123 4.773 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.155 5.311 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.291 3.943 13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.812 5.355 12.164 1.00 0.00 H new ATOM 342 N GLU A 21 -5.469 4.443 11.887 1.00 0.00 N ATOM 343 CA GLU A 21 -6.447 4.390 12.960 1.00 0.00 C ATOM 344 C GLU A 21 -7.497 3.315 12.668 1.00 0.00 C ATOM 345 O GLU A 21 -7.998 2.667 13.585 1.00 0.00 O ATOM 346 CB GLU A 21 -7.105 5.755 13.170 1.00 0.00 C ATOM 347 CG GLU A 21 -7.786 5.830 14.539 1.00 0.00 C ATOM 348 CD GLU A 21 -7.671 7.236 15.131 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.222 8.165 14.501 1.00 0.00 O ATOM 350 OE2 GLU A 21 -7.035 7.351 16.201 1.00 0.00 O ATOM 0 H GLU A 21 -5.282 5.379 11.526 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.931 4.126 13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.354 6.541 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.839 5.934 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.837 5.557 14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.330 5.108 15.216 1.00 0.00 H new ATOM 357 N VAL A 22 -7.798 3.160 11.387 1.00 0.00 N ATOM 358 CA VAL A 22 -8.779 2.175 10.963 1.00 0.00 C ATOM 359 C VAL A 22 -8.314 0.781 11.391 1.00 0.00 C ATOM 360 O VAL A 22 -8.978 0.117 12.185 1.00 0.00 O ATOM 361 CB VAL A 22 -9.018 2.289 9.457 1.00 0.00 C ATOM 362 CG1 VAL A 22 -10.043 1.256 8.984 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.452 3.706 9.076 1.00 0.00 C ATOM 0 H VAL A 22 -7.380 3.700 10.629 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.739 2.360 11.446 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.075 2.080 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.194 1.359 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.677 0.253 9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.989 1.419 9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.615 3.759 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.377 3.956 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.673 4.414 9.360 1.00 0.00 H new ATOM 373 N PHE A 23 -7.175 0.379 10.846 1.00 0.00 N ATOM 374 CA PHE A 23 -6.613 -0.923 11.161 1.00 0.00 C ATOM 375 C PHE A 23 -6.157 -0.985 12.620 1.00 0.00 C ATOM 376 O PHE A 23 -6.304 -2.015 13.277 1.00 0.00 O ATOM 377 CB PHE A 23 -5.398 -1.118 10.251 1.00 0.00 C ATOM 378 CG PHE A 23 -5.753 -1.514 8.816 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.745 -2.415 8.585 1.00 0.00 C ATOM 380 CD2 PHE A 23 -5.076 -0.966 7.772 1.00 0.00 C ATOM 381 CE1 PHE A 23 -7.074 -2.784 7.254 1.00 0.00 C ATOM 382 CE2 PHE A 23 -5.405 -1.334 6.441 1.00 0.00 C ATOM 383 CZ PHE A 23 -6.397 -2.235 6.209 1.00 0.00 C ATOM 0 H PHE A 23 -6.626 0.932 10.188 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.364 -1.699 11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.821 -0.194 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.755 -1.886 10.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.283 -2.850 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.288 -0.251 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.861 -3.500 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.867 -0.898 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.647 -2.515 5.196 1.00 0.00 H new ATOM 393 N ASN A 24 -5.613 0.130 13.085 1.00 0.00 N ATOM 394 CA ASN A 24 -5.135 0.215 14.454 1.00 0.00 C ATOM 395 C ASN A 24 -6.316 0.054 15.413 1.00 0.00 C ATOM 396 O ASN A 24 -6.184 -0.564 16.468 1.00 0.00 O ATOM 397 CB ASN A 24 -4.486 1.573 14.727 1.00 0.00 C ATOM 398 CG ASN A 24 -3.347 1.443 15.741 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.175 1.449 15.401 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.755 1.326 17.001 1.00 0.00 N ATOM 0 H ASN A 24 -5.493 0.982 12.538 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.398 -0.574 14.603 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.103 1.991 13.796 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.235 2.269 15.104 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.071 1.234 17.752 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.752 1.328 17.217 1.00 0.00 H new ATOM 407 N LYS A 25 -7.444 0.621 15.012 1.00 0.00 N ATOM 408 CA LYS A 25 -8.648 0.548 15.822 1.00 0.00 C ATOM 409 C LYS A 25 -8.925 -0.912 16.186 1.00 0.00 C ATOM 410 O LYS A 25 -9.620 -1.192 17.161 1.00 0.00 O ATOM 411 CB LYS A 25 -9.815 1.237 15.112 1.00 0.00 C ATOM 412 CG LYS A 25 -10.006 2.664 15.629 1.00 0.00 C ATOM 413 CD LYS A 25 -11.256 3.304 15.023 1.00 0.00 C ATOM 414 CE LYS A 25 -11.950 4.217 16.035 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.046 4.972 15.386 1.00 0.00 N ATOM 0 H LYS A 25 -7.550 1.133 14.136 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.510 1.090 16.758 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.631 1.257 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.729 0.664 15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.089 2.653 16.716 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.130 3.264 15.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.982 3.878 14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.946 2.526 14.697 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.347 3.622 16.857 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.227 4.911 16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.507 5.587 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.658 5.554 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.744 4.306 14.998 1.00 0.00 H new ATOM 429 N GLU A 26 -8.366 -1.805 15.382 1.00 0.00 N ATOM 430 CA GLU A 26 -8.545 -3.230 15.607 1.00 0.00 C ATOM 431 C GLU A 26 -7.382 -3.786 16.431 1.00 0.00 C ATOM 432 O GLU A 26 -7.510 -4.833 17.064 1.00 0.00 O ATOM 433 CB GLU A 26 -8.686 -3.981 14.281 1.00 0.00 C ATOM 434 CG GLU A 26 -9.891 -3.471 13.488 1.00 0.00 C ATOM 435 CD GLU A 26 -11.195 -3.736 14.243 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.486 -4.930 14.473 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.873 -2.738 14.572 1.00 0.00 O ATOM 0 H GLU A 26 -7.789 -1.570 14.574 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.467 -3.377 16.169 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.778 -3.857 13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.798 -5.048 14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.784 -2.402 13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.924 -3.960 12.515 1.00 0.00 H new ATOM 444 N GLY A 27 -6.274 -3.061 16.397 1.00 0.00 N ATOM 445 CA GLY A 27 -5.089 -3.469 17.133 1.00 0.00 C ATOM 446 C GLY A 27 -4.099 -4.195 16.220 1.00 0.00 C ATOM 447 O GLY A 27 -3.192 -4.875 16.698 1.00 0.00 O ATOM 0 H GLY A 27 -6.171 -2.193 15.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.610 -2.594 17.572 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.375 -4.122 17.957 1.00 0.00 H new ATOM 451 N TYR A 28 -4.306 -4.025 14.922 1.00 0.00 N ATOM 452 CA TYR A 28 -3.443 -4.654 13.938 1.00 0.00 C ATOM 453 C TYR A 28 -2.059 -4.001 13.923 1.00 0.00 C ATOM 454 O TYR A 28 -1.931 -2.806 14.188 1.00 0.00 O ATOM 455 CB TYR A 28 -4.115 -4.429 12.582 1.00 0.00 C ATOM 456 CG TYR A 28 -5.545 -4.966 12.499 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.926 -6.037 13.282 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.453 -4.380 11.642 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.272 -6.542 13.204 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.800 -4.885 11.563 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.143 -5.941 12.348 1.00 0.00 C ATOM 462 OH TYR A 28 -9.414 -6.419 12.275 1.00 0.00 O ATOM 0 H TYR A 28 -5.059 -3.460 14.530 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.307 -5.711 14.167 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.126 -3.361 12.366 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.514 -4.904 11.807 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.215 -6.496 13.953 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.154 -3.542 11.030 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.584 -7.379 13.811 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.521 -4.435 10.896 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.671 -6.798 13.141 1.00 0.00 H new ATOM 472 N GLN A 29 -1.060 -4.813 13.612 1.00 0.00 N ATOM 473 CA GLN A 29 0.309 -4.328 13.560 1.00 0.00 C ATOM 474 C GLN A 29 0.557 -3.577 12.250 1.00 0.00 C ATOM 475 O GLN A 29 0.359 -4.127 11.168 1.00 0.00 O ATOM 476 CB GLN A 29 1.304 -5.478 13.729 1.00 0.00 C ATOM 477 CG GLN A 29 2.206 -5.248 14.943 1.00 0.00 C ATOM 478 CD GLN A 29 2.725 -6.576 15.500 1.00 0.00 C ATOM 479 OE1 GLN A 29 2.192 -7.133 16.445 1.00 0.00 O ATOM 480 NE2 GLN A 29 3.792 -7.049 14.863 1.00 0.00 N ATOM 0 H GLN A 29 -1.171 -5.803 13.393 1.00 0.00 H new ATOM 0 HA GLN A 29 0.460 -3.635 14.388 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.763 -6.417 13.846 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.914 -5.571 12.830 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.047 -4.614 14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.652 -4.717 15.717 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.189 -6.532 14.079 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.214 -7.929 15.159 1.00 0.00 H new ATOM 489 N THR A 30 0.985 -2.331 12.391 1.00 0.00 N ATOM 490 CA THR A 30 1.262 -1.499 11.233 1.00 0.00 C ATOM 491 C THR A 30 2.639 -0.846 11.362 1.00 0.00 C ATOM 492 O THR A 30 3.058 -0.484 12.460 1.00 0.00 O ATOM 493 CB THR A 30 0.121 -0.489 11.094 1.00 0.00 C ATOM 494 OG1 THR A 30 -0.155 -0.090 12.433 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.182 -1.138 10.622 1.00 0.00 C ATOM 0 H THR A 30 1.147 -1.878 13.290 1.00 0.00 H new ATOM 0 HA THR A 30 1.304 -2.093 10.320 1.00 0.00 H new ATOM 0 HB THR A 30 0.412 0.292 10.392 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.741 0.695 12.426 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.958 -0.377 10.540 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.025 -1.603 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.492 -1.897 11.341 1.00 0.00 H new ATOM 503 N PHE A 31 3.306 -0.716 10.224 1.00 0.00 N ATOM 504 CA PHE A 31 4.628 -0.113 10.196 1.00 0.00 C ATOM 505 C PHE A 31 4.751 0.884 9.043 1.00 0.00 C ATOM 506 O PHE A 31 3.931 0.884 8.126 1.00 0.00 O ATOM 507 CB PHE A 31 5.632 -1.247 9.984 1.00 0.00 C ATOM 508 CG PHE A 31 6.807 -1.231 10.964 1.00 0.00 C ATOM 509 CD1 PHE A 31 7.847 -0.378 10.765 1.00 0.00 C ATOM 510 CD2 PHE A 31 6.810 -2.068 12.036 1.00 0.00 C ATOM 511 CE1 PHE A 31 8.937 -0.363 11.675 1.00 0.00 C ATOM 512 CE2 PHE A 31 7.899 -2.053 12.946 1.00 0.00 C ATOM 513 CZ PHE A 31 8.940 -1.200 12.746 1.00 0.00 C ATOM 0 H PHE A 31 2.956 -1.018 9.315 1.00 0.00 H new ATOM 0 HA PHE A 31 4.812 0.424 11.126 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.111 -2.200 10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.020 -1.189 8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.844 0.288 9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.983 -2.744 12.195 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.764 0.314 11.516 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.901 -2.718 13.797 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.769 -1.188 13.438 1.00 0.00 H new ATOM 523 N GLN A 32 5.783 1.712 9.126 1.00 0.00 N ATOM 524 CA GLN A 32 6.024 2.712 8.100 1.00 0.00 C ATOM 525 C GLN A 32 7.446 2.578 7.551 1.00 0.00 C ATOM 526 O GLN A 32 8.367 2.223 8.285 1.00 0.00 O ATOM 527 CB GLN A 32 5.775 4.122 8.640 1.00 0.00 C ATOM 528 CG GLN A 32 6.718 5.134 7.986 1.00 0.00 C ATOM 529 CD GLN A 32 6.202 6.562 8.170 1.00 0.00 C ATOM 530 OE1 GLN A 32 6.509 7.241 9.136 1.00 0.00 O ATOM 531 NE2 GLN A 32 5.404 6.979 7.191 1.00 0.00 N ATOM 0 H GLN A 32 6.461 1.710 9.888 1.00 0.00 H new ATOM 0 HA GLN A 32 5.323 2.542 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.740 4.410 8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.918 4.132 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.713 5.044 8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.815 4.912 6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.187 6.359 6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.009 7.919 7.221 1.00 0.00 H new ATOM 540 N ALA A 33 7.580 2.869 6.266 1.00 0.00 N ATOM 541 CA ALA A 33 8.874 2.785 5.611 1.00 0.00 C ATOM 542 C ALA A 33 9.100 4.046 4.773 1.00 0.00 C ATOM 543 O ALA A 33 8.165 4.807 4.526 1.00 0.00 O ATOM 544 CB ALA A 33 8.940 1.508 4.770 1.00 0.00 C ATOM 0 H ALA A 33 6.814 3.163 5.661 1.00 0.00 H new ATOM 0 HA ALA A 33 9.674 2.731 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.911 1.446 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.803 0.640 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.153 1.528 4.016 1.00 0.00 H new ATOM 550 N ALA A 34 10.345 4.228 4.360 1.00 0.00 N ATOM 551 CA ALA A 34 10.705 5.384 3.556 1.00 0.00 C ATOM 552 C ALA A 34 11.423 4.914 2.289 1.00 0.00 C ATOM 553 O ALA A 34 12.445 5.480 1.904 1.00 0.00 O ATOM 554 CB ALA A 34 11.561 6.340 4.390 1.00 0.00 C ATOM 0 H ALA A 34 11.117 3.595 4.567 1.00 0.00 H new ATOM 0 HA ALA A 34 9.813 5.930 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.831 7.207 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.996 6.667 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.467 5.828 4.715 1.00 0.00 H new ATOM 560 N ASN A 35 10.859 3.884 1.675 1.00 0.00 N ATOM 561 CA ASN A 35 11.433 3.332 0.460 1.00 0.00 C ATOM 562 C ASN A 35 10.560 2.175 -0.031 1.00 0.00 C ATOM 563 O ASN A 35 9.439 1.994 0.443 1.00 0.00 O ATOM 564 CB ASN A 35 12.840 2.788 0.712 1.00 0.00 C ATOM 565 CG ASN A 35 13.875 3.530 -0.135 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.725 3.704 -1.333 1.00 0.00 O ATOM 567 ND2 ASN A 35 14.931 3.957 0.552 1.00 0.00 N ATOM 0 H ASN A 35 10.011 3.418 1.996 1.00 0.00 H new ATOM 0 HA ASN A 35 11.483 4.129 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.089 2.890 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.869 1.724 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.678 4.464 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.994 3.778 1.554 1.00 0.00 H new ATOM 574 N GLY A 36 11.106 1.423 -0.975 1.00 0.00 N ATOM 575 CA GLY A 36 10.391 0.289 -1.535 1.00 0.00 C ATOM 576 C GLY A 36 10.986 -1.032 -1.043 1.00 0.00 C ATOM 577 O GLY A 36 10.269 -2.019 -0.884 1.00 0.00 O ATOM 0 H GLY A 36 12.035 1.577 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.339 0.344 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.435 0.329 -2.623 1.00 0.00 H new ATOM 581 N LEU A 37 12.291 -1.008 -0.816 1.00 0.00 N ATOM 582 CA LEU A 37 12.990 -2.192 -0.346 1.00 0.00 C ATOM 583 C LEU A 37 12.794 -2.327 1.166 1.00 0.00 C ATOM 584 O LEU A 37 12.451 -3.401 1.657 1.00 0.00 O ATOM 585 CB LEU A 37 14.459 -2.152 -0.774 1.00 0.00 C ATOM 586 CG LEU A 37 14.937 -3.321 -1.637 1.00 0.00 C ATOM 587 CD1 LEU A 37 16.304 -3.022 -2.257 1.00 0.00 C ATOM 588 CD2 LEU A 37 14.943 -4.626 -0.839 1.00 0.00 C ATOM 0 H LEU A 37 12.883 -0.188 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 37 12.572 -3.089 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.632 -1.226 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.077 -2.111 0.123 1.00 0.00 H new ATOM 0 HG LEU A 37 14.232 -3.449 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.621 -3.869 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.233 -2.132 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.033 -2.851 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.287 -5.441 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.612 -4.527 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.934 -4.842 -0.487 1.00 0.00 H new ATOM 600 N GLN A 38 13.022 -1.223 1.861 1.00 0.00 N ATOM 601 CA GLN A 38 12.874 -1.205 3.307 1.00 0.00 C ATOM 602 C GLN A 38 11.453 -1.614 3.701 1.00 0.00 C ATOM 603 O GLN A 38 11.199 -1.956 4.855 1.00 0.00 O ATOM 604 CB GLN A 38 13.227 0.170 3.877 1.00 0.00 C ATOM 605 CG GLN A 38 14.533 0.116 4.672 1.00 0.00 C ATOM 606 CD GLN A 38 14.652 1.316 5.614 1.00 0.00 C ATOM 607 OE1 GLN A 38 13.861 1.505 6.523 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.682 2.113 5.346 1.00 0.00 N ATOM 0 H GLN A 38 13.308 -0.334 1.450 1.00 0.00 H new ATOM 0 HA GLN A 38 13.570 -1.928 3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.321 0.891 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.420 0.519 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.574 -0.808 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.380 0.102 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.306 1.896 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.848 2.941 5.917 1.00 0.00 H new ATOM 617 N ALA A 39 10.565 -1.566 2.719 1.00 0.00 N ATOM 618 CA ALA A 39 9.176 -1.927 2.949 1.00 0.00 C ATOM 619 C ALA A 39 9.032 -3.449 2.883 1.00 0.00 C ATOM 620 O ALA A 39 8.278 -4.038 3.656 1.00 0.00 O ATOM 621 CB ALA A 39 8.287 -1.213 1.929 1.00 0.00 C ATOM 0 H ALA A 39 10.780 -1.283 1.763 1.00 0.00 H new ATOM 0 HA ALA A 39 8.856 -1.608 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.245 -1.484 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.404 -0.135 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.577 -1.511 0.922 1.00 0.00 H new ATOM 627 N LEU A 40 9.767 -4.041 1.954 1.00 0.00 N ATOM 628 CA LEU A 40 9.731 -5.483 1.778 1.00 0.00 C ATOM 629 C LEU A 40 10.211 -6.162 3.062 1.00 0.00 C ATOM 630 O LEU A 40 9.524 -7.024 3.607 1.00 0.00 O ATOM 631 CB LEU A 40 10.522 -5.891 0.533 1.00 0.00 C ATOM 632 CG LEU A 40 9.950 -5.427 -0.808 1.00 0.00 C ATOM 633 CD1 LEU A 40 10.797 -5.942 -1.973 1.00 0.00 C ATOM 634 CD2 LEU A 40 8.480 -5.829 -0.945 1.00 0.00 C ATOM 0 H LEU A 40 10.391 -3.549 1.315 1.00 0.00 H new ATOM 0 HA LEU A 40 8.709 -5.820 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.536 -5.501 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.599 -6.978 0.516 1.00 0.00 H new ATOM 0 HG LEU A 40 9.990 -4.338 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.369 -5.598 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.815 -5.564 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.812 -7.032 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.097 -5.487 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.392 -6.914 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.902 -5.373 -0.142 1.00 0.00 H new ATOM 646 N ASP A 41 11.388 -5.748 3.508 1.00 0.00 N ATOM 647 CA ASP A 41 11.969 -6.305 4.717 1.00 0.00 C ATOM 648 C ASP A 41 10.927 -6.278 5.837 1.00 0.00 C ATOM 649 O ASP A 41 10.605 -7.315 6.416 1.00 0.00 O ATOM 650 CB ASP A 41 13.177 -5.486 5.176 1.00 0.00 C ATOM 651 CG ASP A 41 14.493 -6.263 5.253 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.706 -6.917 6.296 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.256 -6.184 4.266 1.00 0.00 O ATOM 0 H ASP A 41 11.955 -5.033 3.053 1.00 0.00 H new ATOM 0 HA ASP A 41 12.286 -7.325 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.308 -4.646 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.961 -5.068 6.159 1.00 0.00 H new ATOM 658 N ILE A 42 10.428 -5.081 6.109 1.00 0.00 N ATOM 659 CA ILE A 42 9.428 -4.906 7.149 1.00 0.00 C ATOM 660 C ILE A 42 8.172 -5.699 6.783 1.00 0.00 C ATOM 661 O ILE A 42 7.631 -6.429 7.612 1.00 0.00 O ATOM 662 CB ILE A 42 9.166 -3.419 7.395 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.411 -2.727 7.954 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.946 -3.218 8.296 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.171 -2.238 9.384 1.00 0.00 C ATOM 0 H ILE A 42 10.697 -4.223 5.627 1.00 0.00 H new ATOM 0 HA ILE A 42 9.791 -5.304 8.097 1.00 0.00 H new ATOM 0 HB ILE A 42 8.940 -2.950 6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.253 -3.418 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.679 -1.884 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.782 -2.152 8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.067 -3.653 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.118 -3.705 9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.071 -1.750 9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.344 -1.528 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.927 -3.087 10.023 1.00 0.00 H new ATOM 677 N VAL A 43 7.745 -5.529 5.540 1.00 0.00 N ATOM 678 CA VAL A 43 6.563 -6.220 5.054 1.00 0.00 C ATOM 679 C VAL A 43 6.687 -7.714 5.364 1.00 0.00 C ATOM 680 O VAL A 43 5.685 -8.390 5.589 1.00 0.00 O ATOM 681 CB VAL A 43 6.364 -5.933 3.565 1.00 0.00 C ATOM 682 CG1 VAL A 43 5.522 -7.026 2.903 1.00 0.00 C ATOM 683 CG2 VAL A 43 5.739 -4.553 3.351 1.00 0.00 C ATOM 0 H VAL A 43 8.197 -4.923 4.855 1.00 0.00 H new ATOM 0 HA VAL A 43 5.671 -5.855 5.563 1.00 0.00 H new ATOM 0 HB VAL A 43 7.345 -5.933 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.396 -6.797 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.025 -7.987 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.545 -7.073 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.608 -4.374 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.769 -4.512 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.393 -3.788 3.769 1.00 0.00 H new ATOM 693 N THR A 44 7.926 -8.184 5.365 1.00 0.00 N ATOM 694 CA THR A 44 8.194 -9.585 5.642 1.00 0.00 C ATOM 695 C THR A 44 8.157 -9.846 7.149 1.00 0.00 C ATOM 696 O THR A 44 7.719 -10.909 7.588 1.00 0.00 O ATOM 697 CB THR A 44 9.533 -9.947 4.996 1.00 0.00 C ATOM 698 OG1 THR A 44 9.367 -9.587 3.628 1.00 0.00 O ATOM 699 CG2 THR A 44 9.775 -11.458 4.957 1.00 0.00 C ATOM 0 H THR A 44 8.755 -7.620 5.178 1.00 0.00 H new ATOM 0 HA THR A 44 7.425 -10.227 5.213 1.00 0.00 H new ATOM 0 HB THR A 44 10.342 -9.464 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.735 -8.691 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.738 -11.660 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.775 -11.853 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.984 -11.938 4.381 1.00 0.00 H new ATOM 707 N LYS A 45 8.622 -8.859 7.901 1.00 0.00 N ATOM 708 CA LYS A 45 8.647 -8.969 9.349 1.00 0.00 C ATOM 709 C LYS A 45 7.242 -8.714 9.900 1.00 0.00 C ATOM 710 O LYS A 45 6.893 -9.207 10.972 1.00 0.00 O ATOM 711 CB LYS A 45 9.715 -8.045 9.938 1.00 0.00 C ATOM 712 CG LYS A 45 10.701 -8.831 10.806 1.00 0.00 C ATOM 713 CD LYS A 45 10.786 -8.237 12.213 1.00 0.00 C ATOM 714 CE LYS A 45 12.219 -8.296 12.747 1.00 0.00 C ATOM 715 NZ LYS A 45 12.658 -9.702 12.900 1.00 0.00 N ATOM 0 H LYS A 45 8.985 -7.979 7.534 1.00 0.00 H new ATOM 0 HA LYS A 45 8.930 -9.978 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.253 -7.545 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.239 -7.267 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.388 -9.873 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.688 -8.821 10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.443 -7.203 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.122 -8.783 12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.889 -7.772 12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.277 -7.784 13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.576 -9.728 13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.954 -10.227 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.752 -10.140 11.962 1.00 0.00 H new ATOM 729 N GLU A 46 6.474 -7.945 9.142 1.00 0.00 N ATOM 730 CA GLU A 46 5.116 -7.619 9.541 1.00 0.00 C ATOM 731 C GLU A 46 4.113 -8.446 8.735 1.00 0.00 C ATOM 732 O GLU A 46 2.914 -8.411 9.006 1.00 0.00 O ATOM 733 CB GLU A 46 4.843 -6.121 9.384 1.00 0.00 C ATOM 734 CG GLU A 46 5.438 -5.330 10.551 1.00 0.00 C ATOM 735 CD GLU A 46 4.351 -4.554 11.298 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.427 -4.068 10.611 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.469 -4.465 12.539 1.00 0.00 O ATOM 0 H GLU A 46 6.767 -7.538 8.254 1.00 0.00 H new ATOM 0 HA GLU A 46 4.998 -7.868 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.269 -5.767 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.768 -5.947 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.941 -6.011 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.193 -4.638 10.178 1.00 0.00 H new ATOM 744 N ARG A 47 4.641 -9.172 7.761 1.00 0.00 N ATOM 745 CA ARG A 47 3.807 -10.008 6.913 1.00 0.00 C ATOM 746 C ARG A 47 2.374 -9.471 6.884 1.00 0.00 C ATOM 747 O ARG A 47 1.442 -10.158 7.298 1.00 0.00 O ATOM 748 CB ARG A 47 3.792 -11.455 7.410 1.00 0.00 C ATOM 749 CG ARG A 47 3.427 -11.521 8.894 1.00 0.00 C ATOM 750 CD ARG A 47 2.364 -12.591 9.150 1.00 0.00 C ATOM 751 NE ARG A 47 2.959 -13.939 9.010 1.00 0.00 N ATOM 752 CZ ARG A 47 3.803 -14.483 9.897 1.00 0.00 C ATOM 753 NH1 ARG A 47 4.158 -13.798 10.993 1.00 0.00 N ATOM 754 NH2 ARG A 47 4.293 -15.713 9.689 1.00 0.00 N ATOM 0 H ARG A 47 5.636 -9.199 7.540 1.00 0.00 H new ATOM 0 HA ARG A 47 4.228 -9.986 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.075 -12.035 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.771 -11.908 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.318 -11.741 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.058 -10.550 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.948 -12.470 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.540 -12.473 8.446 1.00 0.00 H new ATOM 0 HE ARG A 47 2.711 -14.488 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.786 -12.862 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.801 -14.213 11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.023 -16.235 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.936 -16.127 10.364 1.00 0.00 H new ATOM 768 N PRO A 48 2.241 -8.216 6.379 1.00 0.00 N ATOM 769 CA PRO A 48 0.938 -7.579 6.290 1.00 0.00 C ATOM 770 C PRO A 48 0.117 -8.167 5.140 1.00 0.00 C ATOM 771 O PRO A 48 0.677 -8.665 4.165 1.00 0.00 O ATOM 772 CB PRO A 48 1.234 -6.099 6.112 1.00 0.00 C ATOM 773 CG PRO A 48 2.678 -6.016 5.643 1.00 0.00 C ATOM 774 CD PRO A 48 3.323 -7.372 5.879 1.00 0.00 C ATOM 0 HA PRO A 48 0.328 -7.745 7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.560 -5.651 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.096 -5.558 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.722 -5.751 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.213 -5.239 6.189 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.746 -7.775 4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.137 -7.303 6.601 1.00 0.00 H new ATOM 782 N ASP A 49 -1.197 -8.089 5.293 1.00 0.00 N ATOM 783 CA ASP A 49 -2.100 -8.607 4.280 1.00 0.00 C ATOM 784 C ASP A 49 -2.304 -7.548 3.195 1.00 0.00 C ATOM 785 O ASP A 49 -2.973 -7.800 2.194 1.00 0.00 O ATOM 786 CB ASP A 49 -3.468 -8.939 4.879 1.00 0.00 C ATOM 787 CG ASP A 49 -3.970 -7.949 5.931 1.00 0.00 C ATOM 788 OD1 ASP A 49 -4.233 -6.791 5.541 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.081 -8.373 7.102 1.00 0.00 O ATOM 0 H ASP A 49 -1.658 -7.675 6.103 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.658 -9.513 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.199 -8.990 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.420 -9.931 5.329 1.00 0.00 H new ATOM 794 N LEU A 50 -1.715 -6.384 3.430 1.00 0.00 N ATOM 795 CA LEU A 50 -1.824 -5.286 2.486 1.00 0.00 C ATOM 796 C LEU A 50 -0.768 -4.229 2.816 1.00 0.00 C ATOM 797 O LEU A 50 -0.435 -4.021 3.981 1.00 0.00 O ATOM 798 CB LEU A 50 -3.253 -4.740 2.460 1.00 0.00 C ATOM 799 CG LEU A 50 -3.890 -4.592 1.077 1.00 0.00 C ATOM 800 CD1 LEU A 50 -4.996 -5.628 0.869 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.393 -3.164 0.856 1.00 0.00 C ATOM 0 H LEU A 50 -1.161 -6.178 4.261 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.623 -5.634 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.883 -5.397 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.257 -3.764 2.946 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.124 -4.784 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.432 -5.501 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.576 -6.630 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.769 -5.492 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.841 -3.085 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.139 -2.920 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.558 -2.468 0.932 1.00 0.00 H new ATOM 813 N VAL A 51 -0.270 -3.588 1.768 1.00 0.00 N ATOM 814 CA VAL A 51 0.741 -2.558 1.932 1.00 0.00 C ATOM 815 C VAL A 51 0.413 -1.377 1.016 1.00 0.00 C ATOM 816 O VAL A 51 -0.098 -1.566 -0.087 1.00 0.00 O ATOM 817 CB VAL A 51 2.131 -3.144 1.677 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.219 -2.091 1.897 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.376 -4.375 2.551 1.00 0.00 C ATOM 0 H VAL A 51 -0.548 -3.763 0.802 1.00 0.00 H new ATOM 0 HA VAL A 51 0.743 -2.185 2.956 1.00 0.00 H new ATOM 0 HB VAL A 51 2.175 -3.459 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.197 -2.534 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.061 -1.256 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.175 -1.732 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.371 -4.772 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.302 -4.096 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.629 -5.136 2.325 1.00 0.00 H new ATOM 829 N LEU A 52 0.720 -0.185 1.507 1.00 0.00 N ATOM 830 CA LEU A 52 0.464 1.026 0.746 1.00 0.00 C ATOM 831 C LEU A 52 1.781 1.775 0.529 1.00 0.00 C ATOM 832 O LEU A 52 2.413 2.216 1.488 1.00 0.00 O ATOM 833 CB LEU A 52 -0.617 1.868 1.427 1.00 0.00 C ATOM 834 CG LEU A 52 -0.462 3.385 1.305 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.822 4.082 1.373 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.512 3.923 2.355 1.00 0.00 C ATOM 0 H LEU A 52 1.144 -0.032 2.422 1.00 0.00 H new ATOM 0 HA LEU A 52 0.070 0.780 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.584 1.587 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.638 1.609 2.486 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.035 3.607 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.683 5.159 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.453 3.729 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.300 3.855 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.604 5.004 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.138 3.689 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.489 3.460 2.216 1.00 0.00 H new ATOM 848 N LEU A 53 2.155 1.894 -0.736 1.00 0.00 N ATOM 849 CA LEU A 53 3.385 2.582 -1.091 1.00 0.00 C ATOM 850 C LEU A 53 3.121 3.510 -2.278 1.00 0.00 C ATOM 851 O LEU A 53 2.270 3.222 -3.118 1.00 0.00 O ATOM 852 CB LEU A 53 4.510 1.575 -1.336 1.00 0.00 C ATOM 853 CG LEU A 53 5.812 2.148 -1.899 1.00 0.00 C ATOM 854 CD1 LEU A 53 7.015 1.311 -1.459 1.00 0.00 C ATOM 855 CD2 LEU A 53 5.737 2.287 -3.421 1.00 0.00 C ATOM 0 H LEU A 53 1.628 1.526 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 53 3.723 3.208 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.734 1.074 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.145 0.812 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 53 5.949 3.149 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.928 1.740 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.077 1.307 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.899 0.289 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.675 2.696 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.564 1.308 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.918 2.956 -3.685 1.00 0.00 H new ATOM 867 N ASP A 54 3.866 4.605 -2.309 1.00 0.00 N ATOM 868 CA ASP A 54 3.723 5.578 -3.379 1.00 0.00 C ATOM 869 C ASP A 54 4.953 5.515 -4.286 1.00 0.00 C ATOM 870 O ASP A 54 6.085 5.495 -3.804 1.00 0.00 O ATOM 871 CB ASP A 54 3.618 6.999 -2.821 1.00 0.00 C ATOM 872 CG ASP A 54 3.909 8.112 -3.830 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.959 8.010 -4.501 1.00 0.00 O ATOM 874 OD2 ASP A 54 3.075 9.040 -3.907 1.00 0.00 O ATOM 0 H ASP A 54 4.571 4.840 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 54 2.814 5.341 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.614 7.144 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.310 7.097 -1.985 1.00 0.00 H new ATOM 879 N MET A 55 4.691 5.487 -5.584 1.00 0.00 N ATOM 880 CA MET A 55 5.763 5.428 -6.564 1.00 0.00 C ATOM 881 C MET A 55 6.726 6.604 -6.394 1.00 0.00 C ATOM 882 O MET A 55 7.872 6.419 -5.988 1.00 0.00 O ATOM 883 CB MET A 55 5.168 5.453 -7.973 1.00 0.00 C ATOM 884 CG MET A 55 4.005 4.467 -8.095 1.00 0.00 C ATOM 885 SD MET A 55 4.447 2.906 -7.353 1.00 0.00 S ATOM 886 CE MET A 55 3.601 3.056 -5.788 1.00 0.00 C ATOM 0 H MET A 55 3.751 5.504 -5.981 1.00 0.00 H new ATOM 0 HA MET A 55 6.319 4.503 -6.412 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.822 6.460 -8.208 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.939 5.203 -8.702 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.120 4.874 -7.606 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.750 4.321 -9.145 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.246 2.075 -5.471 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.287 3.453 -5.040 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.752 3.731 -5.896 1.00 0.00 H new ATOM 896 N LYS A 56 6.225 7.788 -6.714 1.00 0.00 N ATOM 897 CA LYS A 56 7.027 8.995 -6.602 1.00 0.00 C ATOM 898 C LYS A 56 7.753 8.997 -5.255 1.00 0.00 C ATOM 899 O LYS A 56 7.117 8.942 -4.204 1.00 0.00 O ATOM 900 CB LYS A 56 6.164 10.236 -6.837 1.00 0.00 C ATOM 901 CG LYS A 56 6.750 11.110 -7.947 1.00 0.00 C ATOM 902 CD LYS A 56 5.697 12.070 -8.504 1.00 0.00 C ATOM 903 CE LYS A 56 6.341 13.139 -9.389 1.00 0.00 C ATOM 904 NZ LYS A 56 6.519 14.399 -8.633 1.00 0.00 N ATOM 0 H LYS A 56 5.274 7.938 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 56 7.793 9.016 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.151 9.934 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.092 10.813 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.596 11.678 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.131 10.478 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.960 11.511 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.164 12.547 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.306 12.786 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.718 13.318 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.957 15.114 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.593 14.743 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.132 14.227 -7.811 1.00 0.00 H new ATOM 918 N ILE A 57 9.074 9.060 -5.331 1.00 0.00 N ATOM 919 CA ILE A 57 9.893 9.070 -4.131 1.00 0.00 C ATOM 920 C ILE A 57 11.350 9.339 -4.515 1.00 0.00 C ATOM 921 O ILE A 57 11.858 8.767 -5.478 1.00 0.00 O ATOM 922 CB ILE A 57 9.696 7.777 -3.338 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.337 8.077 -1.881 1.00 0.00 C ATOM 924 CG2 ILE A 57 10.924 6.871 -3.450 1.00 0.00 C ATOM 925 CD1 ILE A 57 7.962 8.741 -1.781 1.00 0.00 C ATOM 0 H ILE A 57 9.598 9.105 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 57 9.584 9.876 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 57 8.856 7.235 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.341 7.152 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.093 8.729 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.757 5.959 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.094 6.616 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.797 7.392 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.731 8.944 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.969 9.677 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.206 8.076 -2.197 1.00 0.00 H new ATOM 937 N PRO A 58 11.997 10.234 -3.722 1.00 0.00 N ATOM 938 CA PRO A 58 13.385 10.587 -3.969 1.00 0.00 C ATOM 939 C PRO A 58 14.323 9.463 -3.525 1.00 0.00 C ATOM 940 O PRO A 58 14.159 8.903 -2.443 1.00 0.00 O ATOM 941 CB PRO A 58 13.604 11.881 -3.202 1.00 0.00 C ATOM 942 CG PRO A 58 12.478 11.959 -2.184 1.00 0.00 C ATOM 943 CD PRO A 58 11.427 10.932 -2.573 1.00 0.00 C ATOM 0 HA PRO A 58 13.602 10.726 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.576 11.883 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.584 12.740 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.855 11.758 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.046 12.960 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.224 10.244 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.482 11.410 -2.829 1.00 0.00 H new ATOM 951 N GLY A 59 15.287 9.166 -4.385 1.00 0.00 N ATOM 952 CA GLY A 59 16.252 8.119 -4.096 1.00 0.00 C ATOM 953 C GLY A 59 15.804 6.782 -4.689 1.00 0.00 C ATOM 954 O GLY A 59 15.544 5.829 -3.956 1.00 0.00 O ATOM 0 H GLY A 59 15.420 9.633 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.225 8.394 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.374 8.020 -3.017 1.00 0.00 H new ATOM 958 N MET A 60 15.728 6.754 -6.012 1.00 0.00 N ATOM 959 CA MET A 60 15.317 5.549 -6.712 1.00 0.00 C ATOM 960 C MET A 60 13.795 5.392 -6.685 1.00 0.00 C ATOM 961 O MET A 60 13.245 4.803 -5.756 1.00 0.00 O ATOM 962 CB MET A 60 15.968 4.329 -6.057 1.00 0.00 C ATOM 963 CG MET A 60 16.260 3.241 -7.093 1.00 0.00 C ATOM 964 SD MET A 60 15.772 1.647 -6.456 1.00 0.00 S ATOM 965 CE MET A 60 14.742 1.079 -7.799 1.00 0.00 C ATOM 0 H MET A 60 15.944 7.546 -6.617 1.00 0.00 H new ATOM 0 HA MET A 60 15.638 5.628 -7.751 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.894 4.626 -5.566 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.310 3.933 -5.284 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.722 3.453 -8.017 1.00 0.00 H new ATOM 0 HG3 MET A 60 17.322 3.235 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.266 0.139 -7.520 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.976 1.825 -8.010 1.00 0.00 H new ATOM 0 HE3 MET A 60 15.354 0.926 -8.688 1.00 0.00 H new ATOM 975 N ASP A 61 13.158 5.929 -7.715 1.00 0.00 N ATOM 976 CA ASP A 61 11.711 5.855 -7.821 1.00 0.00 C ATOM 977 C ASP A 61 11.258 4.415 -7.572 1.00 0.00 C ATOM 978 O ASP A 61 12.085 3.517 -7.425 1.00 0.00 O ATOM 979 CB ASP A 61 11.239 6.264 -9.218 1.00 0.00 C ATOM 980 CG ASP A 61 12.284 6.108 -10.325 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.667 4.946 -10.584 1.00 0.00 O ATOM 982 OD2 ASP A 61 12.676 7.153 -10.887 1.00 0.00 O ATOM 0 H ASP A 61 13.618 6.417 -8.484 1.00 0.00 H new ATOM 0 HA ASP A 61 11.284 6.534 -7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.364 5.668 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.918 7.305 -9.186 1.00 0.00 H new ATOM 987 N GLY A 62 9.945 4.240 -7.534 1.00 0.00 N ATOM 988 CA GLY A 62 9.373 2.924 -7.305 1.00 0.00 C ATOM 989 C GLY A 62 9.056 2.227 -8.629 1.00 0.00 C ATOM 990 O GLY A 62 8.611 1.080 -8.640 1.00 0.00 O ATOM 0 H GLY A 62 9.262 4.987 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.069 2.316 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.463 3.017 -6.712 1.00 0.00 H new ATOM 994 N ILE A 63 9.297 2.948 -9.714 1.00 0.00 N ATOM 995 CA ILE A 63 9.043 2.413 -11.041 1.00 0.00 C ATOM 996 C ILE A 63 9.717 1.046 -11.172 1.00 0.00 C ATOM 997 O ILE A 63 9.126 0.106 -11.702 1.00 0.00 O ATOM 998 CB ILE A 63 9.471 3.416 -12.114 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.621 4.686 -12.049 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.442 2.777 -13.504 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.305 5.842 -12.781 1.00 0.00 C ATOM 0 H ILE A 63 9.666 3.899 -9.701 1.00 0.00 H new ATOM 0 HA ILE A 63 7.975 2.258 -11.192 1.00 0.00 H new ATOM 0 HB ILE A 63 10.502 3.709 -11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.644 4.497 -12.493 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.450 4.960 -11.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.750 3.511 -14.248 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.124 1.927 -13.528 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.431 2.437 -13.727 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.680 6.733 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.271 6.045 -12.319 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.452 5.574 -13.827 1.00 0.00 H new ATOM 1013 N GLU A 64 10.945 0.978 -10.681 1.00 0.00 N ATOM 1014 CA GLU A 64 11.706 -0.259 -10.736 1.00 0.00 C ATOM 1015 C GLU A 64 11.395 -1.129 -9.517 1.00 0.00 C ATOM 1016 O GLU A 64 11.184 -2.334 -9.648 1.00 0.00 O ATOM 1017 CB GLU A 64 13.206 0.024 -10.839 1.00 0.00 C ATOM 1018 CG GLU A 64 13.500 1.026 -11.957 1.00 0.00 C ATOM 1019 CD GLU A 64 13.574 0.326 -13.316 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.684 -0.139 -13.654 1.00 0.00 O ATOM 1021 OE2 GLU A 64 12.520 0.271 -13.985 1.00 0.00 O ATOM 0 H GLU A 64 11.433 1.760 -10.243 1.00 0.00 H new ATOM 0 HA GLU A 64 11.410 -0.805 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.572 0.415 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.743 -0.906 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.723 1.790 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.442 1.536 -11.755 1.00 0.00 H new ATOM 1028 N ILE A 65 11.376 -0.485 -8.359 1.00 0.00 N ATOM 1029 CA ILE A 65 11.094 -1.185 -7.118 1.00 0.00 C ATOM 1030 C ILE A 65 9.832 -2.034 -7.291 1.00 0.00 C ATOM 1031 O ILE A 65 9.884 -3.258 -7.188 1.00 0.00 O ATOM 1032 CB ILE A 65 11.015 -0.198 -5.952 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.245 0.711 -5.920 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.810 -0.932 -4.625 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.320 1.486 -4.603 1.00 0.00 C ATOM 0 H ILE A 65 11.551 0.514 -8.255 1.00 0.00 H new ATOM 0 HA ILE A 65 11.907 -1.868 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 65 10.145 0.441 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.147 0.112 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.207 1.410 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.757 -0.207 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.881 -1.502 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.645 -1.611 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.203 2.124 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.428 2.102 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.382 0.784 -3.771 1.00 0.00 H new ATOM 1047 N LEU A 66 8.728 -1.349 -7.552 1.00 0.00 N ATOM 1048 CA LEU A 66 7.456 -2.024 -7.740 1.00 0.00 C ATOM 1049 C LEU A 66 7.597 -3.068 -8.850 1.00 0.00 C ATOM 1050 O LEU A 66 6.974 -4.128 -8.792 1.00 0.00 O ATOM 1051 CB LEU A 66 6.341 -1.006 -7.992 1.00 0.00 C ATOM 1052 CG LEU A 66 5.915 -0.166 -6.786 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.979 -0.986 -5.497 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.744 1.116 -6.692 1.00 0.00 C ATOM 0 H LEU A 66 8.689 -0.333 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 66 7.170 -2.558 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.665 -0.331 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.467 -1.539 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 66 4.876 0.132 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.671 -0.365 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.312 -1.844 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.000 -1.334 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.422 1.695 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.798 0.861 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.604 1.707 -7.597 1.00 0.00 H new ATOM 1066 N LYS A 67 8.419 -2.733 -9.833 1.00 0.00 N ATOM 1067 CA LYS A 67 8.649 -3.629 -10.954 1.00 0.00 C ATOM 1068 C LYS A 67 9.329 -4.904 -10.451 1.00 0.00 C ATOM 1069 O LYS A 67 8.759 -5.990 -10.536 1.00 0.00 O ATOM 1070 CB LYS A 67 9.427 -2.913 -12.060 1.00 0.00 C ATOM 1071 CG LYS A 67 8.551 -2.702 -13.297 1.00 0.00 C ATOM 1072 CD LYS A 67 9.409 -2.494 -14.547 1.00 0.00 C ATOM 1073 CE LYS A 67 9.340 -3.713 -15.469 1.00 0.00 C ATOM 1074 NZ LYS A 67 10.356 -3.611 -16.540 1.00 0.00 N ATOM 0 H LYS A 67 8.934 -1.854 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 67 7.702 -3.928 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.784 -1.950 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.307 -3.498 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.900 -3.565 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.905 -1.837 -13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.068 -1.608 -15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.444 -2.312 -14.256 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.502 -4.623 -14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.346 -3.788 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.295 -4.446 -17.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.184 -2.753 -17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.304 -3.562 -16.116 1.00 0.00 H new ATOM 1088 N ARG A 68 10.538 -4.729 -9.937 1.00 0.00 N ATOM 1089 CA ARG A 68 11.301 -5.852 -9.420 1.00 0.00 C ATOM 1090 C ARG A 68 10.508 -6.576 -8.331 1.00 0.00 C ATOM 1091 O ARG A 68 10.662 -7.782 -8.143 1.00 0.00 O ATOM 1092 CB ARG A 68 12.641 -5.389 -8.844 1.00 0.00 C ATOM 1093 CG ARG A 68 13.749 -5.476 -9.894 1.00 0.00 C ATOM 1094 CD ARG A 68 15.037 -4.822 -9.389 1.00 0.00 C ATOM 1095 NE ARG A 68 15.926 -5.846 -8.796 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.507 -6.831 -9.494 1.00 0.00 C ATOM 1097 NH1 ARG A 68 16.297 -6.932 -10.813 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.299 -7.715 -8.872 1.00 0.00 N ATOM 0 H ARG A 68 11.008 -3.826 -9.868 1.00 0.00 H new ATOM 0 HA ARG A 68 11.491 -6.534 -10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.552 -4.363 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.902 -6.004 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.940 -6.520 -10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.424 -4.986 -10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.546 -4.319 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.801 -4.060 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 68 16.108 -5.799 -7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.695 -6.259 -11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.740 -7.682 -11.344 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.459 -7.638 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.742 -8.465 -9.403 1.00 0.00 H new ATOM 1112 N MET A 69 9.676 -5.810 -7.641 1.00 0.00 N ATOM 1113 CA MET A 69 8.858 -6.364 -6.575 1.00 0.00 C ATOM 1114 C MET A 69 7.901 -7.428 -7.115 1.00 0.00 C ATOM 1115 O MET A 69 7.854 -8.544 -6.601 1.00 0.00 O ATOM 1116 CB MET A 69 8.055 -5.243 -5.913 1.00 0.00 C ATOM 1117 CG MET A 69 8.589 -4.939 -4.512 1.00 0.00 C ATOM 1118 SD MET A 69 8.598 -3.177 -4.230 1.00 0.00 S ATOM 1119 CE MET A 69 7.121 -3.013 -3.241 1.00 0.00 C ATOM 0 H MET A 69 9.551 -4.810 -7.799 1.00 0.00 H new ATOM 0 HA MET A 69 9.516 -6.832 -5.843 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.104 -4.344 -6.528 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.005 -5.530 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.969 -5.432 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.598 -5.338 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.897 -1.956 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.286 -3.494 -3.751 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.277 -3.488 -2.273 1.00 0.00 H new ATOM 1129 N LYS A 70 7.161 -7.045 -8.145 1.00 0.00 N ATOM 1130 CA LYS A 70 6.207 -7.952 -8.760 1.00 0.00 C ATOM 1131 C LYS A 70 6.960 -8.978 -9.609 1.00 0.00 C ATOM 1132 O LYS A 70 6.608 -10.157 -9.622 1.00 0.00 O ATOM 1133 CB LYS A 70 5.148 -7.169 -9.539 1.00 0.00 C ATOM 1134 CG LYS A 70 5.625 -6.867 -10.961 1.00 0.00 C ATOM 1135 CD LYS A 70 5.582 -8.124 -11.832 1.00 0.00 C ATOM 1136 CE LYS A 70 4.747 -7.889 -13.092 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.552 -8.156 -14.305 1.00 0.00 N ATOM 0 H LYS A 70 7.203 -6.118 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 70 5.662 -8.507 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.221 -7.742 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.926 -6.236 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.997 -6.093 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.642 -6.475 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.595 -8.412 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.161 -8.952 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.870 -8.537 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.384 -6.861 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.970 -7.992 -15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.375 -7.521 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.877 -9.144 -14.295 1.00 0.00 H new ATOM 1151 N VAL A 71 7.984 -8.493 -10.297 1.00 0.00 N ATOM 1152 CA VAL A 71 8.790 -9.353 -11.146 1.00 0.00 C ATOM 1153 C VAL A 71 9.450 -10.435 -10.288 1.00 0.00 C ATOM 1154 O VAL A 71 9.721 -11.534 -10.770 1.00 0.00 O ATOM 1155 CB VAL A 71 9.799 -8.515 -11.932 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.617 -9.391 -12.884 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.101 -7.385 -12.691 1.00 0.00 C ATOM 0 H VAL A 71 8.274 -7.515 -10.283 1.00 0.00 H new ATOM 0 HA VAL A 71 8.165 -9.858 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 71 10.487 -8.063 -11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.327 -8.770 -13.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.159 -10.143 -12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.948 -9.884 -13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.842 -6.805 -13.241 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.379 -7.808 -13.390 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.584 -6.736 -11.984 1.00 0.00 H new ATOM 1167 N ILE A 72 9.690 -10.086 -9.033 1.00 0.00 N ATOM 1168 CA ILE A 72 10.313 -11.013 -8.104 1.00 0.00 C ATOM 1169 C ILE A 72 9.286 -12.061 -7.671 1.00 0.00 C ATOM 1170 O ILE A 72 9.581 -13.256 -7.659 1.00 0.00 O ATOM 1171 CB ILE A 72 10.949 -10.256 -6.937 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.322 -9.703 -7.324 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.017 -11.134 -5.686 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.387 -10.801 -7.282 1.00 0.00 C ATOM 0 H ILE A 72 9.464 -9.173 -8.637 1.00 0.00 H new ATOM 0 HA ILE A 72 11.130 -11.548 -8.589 1.00 0.00 H new ATOM 0 HB ILE A 72 10.314 -9.403 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.276 -9.274 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.598 -8.897 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.473 -10.572 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.010 -11.437 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.616 -12.020 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.353 -10.381 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.447 -11.211 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.120 -11.594 -7.981 1.00 0.00 H new ATOM 1186 N ASP A 73 8.103 -11.577 -7.326 1.00 0.00 N ATOM 1187 CA ASP A 73 7.031 -12.457 -6.893 1.00 0.00 C ATOM 1188 C ASP A 73 5.685 -11.849 -7.291 1.00 0.00 C ATOM 1189 O ASP A 73 5.593 -10.648 -7.544 1.00 0.00 O ATOM 1190 CB ASP A 73 7.041 -12.631 -5.373 1.00 0.00 C ATOM 1191 CG ASP A 73 7.473 -14.014 -4.883 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.334 -14.968 -5.680 1.00 0.00 O ATOM 1193 OD2 ASP A 73 7.933 -14.087 -3.723 1.00 0.00 O ATOM 0 H ASP A 73 7.863 -10.586 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 73 7.179 -13.427 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.708 -11.885 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.041 -12.423 -4.992 1.00 0.00 H new ATOM 1198 N GLU A 74 4.674 -12.704 -7.334 1.00 0.00 N ATOM 1199 CA GLU A 74 3.337 -12.266 -7.696 1.00 0.00 C ATOM 1200 C GLU A 74 2.423 -12.279 -6.469 1.00 0.00 C ATOM 1201 O GLU A 74 1.334 -11.708 -6.496 1.00 0.00 O ATOM 1202 CB GLU A 74 2.761 -13.132 -8.818 1.00 0.00 C ATOM 1203 CG GLU A 74 2.102 -14.392 -8.255 1.00 0.00 C ATOM 1204 CD GLU A 74 1.616 -15.307 -9.381 1.00 0.00 C ATOM 1205 OE1 GLU A 74 2.442 -16.120 -9.849 1.00 0.00 O ATOM 1206 OE2 GLU A 74 0.429 -15.172 -9.749 1.00 0.00 O ATOM 0 H GLU A 74 4.754 -13.699 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 74 3.400 -11.243 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.029 -12.558 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.555 -13.411 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.813 -14.929 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.261 -14.114 -7.619 1.00 0.00 H new ATOM 1213 N ASN A 75 2.900 -12.938 -5.423 1.00 0.00 N ATOM 1214 CA ASN A 75 2.139 -13.033 -4.189 1.00 0.00 C ATOM 1215 C ASN A 75 2.178 -11.686 -3.465 1.00 0.00 C ATOM 1216 O ASN A 75 1.352 -11.421 -2.594 1.00 0.00 O ATOM 1217 CB ASN A 75 2.734 -14.089 -3.255 1.00 0.00 C ATOM 1218 CG ASN A 75 4.263 -14.025 -3.259 1.00 0.00 C ATOM 1219 OD1 ASN A 75 4.870 -13.024 -2.916 1.00 0.00 O ATOM 1220 ND2 ASN A 75 4.850 -15.147 -3.667 1.00 0.00 N ATOM 0 H ASN A 75 3.804 -13.411 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 75 1.117 -13.312 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.363 -13.935 -2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.407 -15.081 -3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.868 -15.205 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.282 -15.949 -3.940 1.00 0.00 H new ATOM 1227 N ILE A 76 3.148 -10.870 -3.853 1.00 0.00 N ATOM 1228 CA ILE A 76 3.306 -9.556 -3.252 1.00 0.00 C ATOM 1229 C ILE A 76 2.103 -8.685 -3.618 1.00 0.00 C ATOM 1230 O ILE A 76 1.795 -8.508 -4.796 1.00 0.00 O ATOM 1231 CB ILE A 76 4.651 -8.945 -3.647 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.863 -7.595 -2.958 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.780 -8.838 -5.168 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.219 -6.994 -3.335 1.00 0.00 C ATOM 0 H ILE A 76 3.832 -11.093 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 76 3.325 -9.634 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 76 5.442 -9.611 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.065 -6.909 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.805 -7.721 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.746 -8.400 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.705 -9.831 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.982 -8.206 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.344 -6.035 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.015 -7.672 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.264 -6.846 -4.414 1.00 0.00 H new ATOM 1246 N ARG A 77 1.455 -8.163 -2.587 1.00 0.00 N ATOM 1247 CA ARG A 77 0.293 -7.314 -2.786 1.00 0.00 C ATOM 1248 C ARG A 77 0.531 -5.934 -2.168 1.00 0.00 C ATOM 1249 O ARG A 77 0.588 -5.799 -0.946 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.957 -7.936 -2.160 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.826 -6.868 -1.492 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.251 -7.380 -1.271 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.264 -8.395 -0.195 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.161 -9.714 -0.405 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.038 -10.186 -1.653 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.182 -10.562 0.632 1.00 0.00 N ATOM 0 H ARG A 77 1.713 -8.312 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 77 0.137 -7.213 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.534 -8.452 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.665 -8.685 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.386 -6.582 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.850 -5.973 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.907 -6.551 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.638 -7.812 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.357 -8.070 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.023 -9.541 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.960 -11.190 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.276 -10.203 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.104 -11.566 0.471 1.00 0.00 H new ATOM 1270 N VAL A 78 0.663 -4.945 -3.039 1.00 0.00 N ATOM 1271 CA VAL A 78 0.894 -3.582 -2.595 1.00 0.00 C ATOM 1272 C VAL A 78 0.094 -2.620 -3.476 1.00 0.00 C ATOM 1273 O VAL A 78 -0.157 -2.907 -4.645 1.00 0.00 O ATOM 1274 CB VAL A 78 2.394 -3.280 -2.589 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.834 -2.666 -3.920 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.766 -2.370 -1.416 1.00 0.00 C ATOM 0 H VAL A 78 0.614 -5.061 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 78 0.546 -3.450 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 78 2.925 -4.223 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.904 -2.461 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.621 -3.363 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.291 -1.736 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.838 -2.171 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.221 -1.430 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.505 -2.860 -0.478 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.285 -1.499 -2.880 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.052 -0.493 -3.596 1.00 0.00 C ATOM 1288 C ILE A 79 -0.143 0.691 -3.933 1.00 0.00 C ATOM 1289 O ILE A 79 0.719 1.061 -3.138 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.300 -0.104 -2.801 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.502 -0.954 -3.217 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.585 1.394 -2.927 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.816 -0.250 -2.872 1.00 0.00 C ATOM 0 H ILE A 79 -0.075 -1.265 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.417 -0.894 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.112 -0.308 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.460 -1.150 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.460 -1.920 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.477 1.644 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.736 1.959 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.745 1.647 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.655 -0.875 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.865 -0.078 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.865 0.705 -3.395 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.368 1.251 -5.112 1.00 0.00 N ATOM 1306 CA ILE A 80 0.420 2.386 -5.564 1.00 0.00 C ATOM 1307 C ILE A 80 -0.416 3.661 -5.446 1.00 0.00 C ATOM 1308 O ILE A 80 -1.644 3.610 -5.499 1.00 0.00 O ATOM 1309 CB ILE A 80 0.963 2.134 -6.972 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.141 2.285 -8.020 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.653 0.771 -7.058 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.507 3.757 -8.223 1.00 0.00 C ATOM 0 H ILE A 80 -1.084 0.940 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 80 1.296 2.519 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 80 1.717 2.890 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.189 1.855 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.023 1.727 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.030 0.617 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.483 0.738 -6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.938 -0.015 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.294 3.836 -8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.860 4.177 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.372 4.307 -8.560 1.00 0.00 H new ATOM 1324 N MET A 81 0.282 4.776 -5.288 1.00 0.00 N ATOM 1325 CA MET A 81 -0.381 6.063 -5.163 1.00 0.00 C ATOM 1326 C MET A 81 0.376 7.148 -5.932 1.00 0.00 C ATOM 1327 O MET A 81 1.572 7.344 -5.719 1.00 0.00 O ATOM 1328 CB MET A 81 -0.468 6.451 -3.685 1.00 0.00 C ATOM 1329 CG MET A 81 -0.084 5.273 -2.786 1.00 0.00 C ATOM 1330 SD MET A 81 -0.139 5.771 -1.073 1.00 0.00 S ATOM 1331 CE MET A 81 1.481 5.239 -0.544 1.00 0.00 C ATOM 0 H MET A 81 1.300 4.815 -5.244 1.00 0.00 H new ATOM 0 HA MET A 81 -1.382 5.977 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.193 7.295 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.481 6.778 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.766 4.439 -2.953 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.916 4.922 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.622 5.492 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.570 4.160 -0.673 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.242 5.740 -1.142 1.00 0.00 H new ATOM 1341 N THR A 82 -0.351 7.823 -6.809 1.00 0.00 N ATOM 1342 CA THR A 82 0.237 8.883 -7.611 1.00 0.00 C ATOM 1343 C THR A 82 -0.841 9.591 -8.433 1.00 0.00 C ATOM 1344 O THR A 82 -1.788 8.958 -8.898 1.00 0.00 O ATOM 1345 CB THR A 82 1.347 8.268 -8.465 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.417 9.118 -9.607 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.957 6.905 -9.040 1.00 0.00 C ATOM 0 H THR A 82 -1.342 7.657 -6.982 1.00 0.00 H new ATOM 0 HA THR A 82 0.680 9.655 -6.982 1.00 0.00 H new ATOM 0 HB THR A 82 2.251 8.164 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.250 8.944 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.780 6.513 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.740 6.215 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.073 7.014 -9.668 1.00 0.00 H new ATOM 1355 N ALA A 83 -0.663 10.895 -8.586 1.00 0.00 N ATOM 1356 CA ALA A 83 -1.609 11.696 -9.344 1.00 0.00 C ATOM 1357 C ALA A 83 -1.773 11.096 -10.743 1.00 0.00 C ATOM 1358 O ALA A 83 -0.897 10.377 -11.220 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.131 13.148 -9.385 1.00 0.00 C ATOM 0 H ALA A 83 0.123 11.417 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.588 11.689 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.841 13.749 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.059 13.536 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.152 13.195 -9.862 1.00 0.00 H new ATOM 1365 N TYR A 84 -2.901 11.416 -11.360 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.190 10.918 -12.694 1.00 0.00 C ATOM 1367 C TYR A 84 -2.469 11.748 -13.758 1.00 0.00 C ATOM 1368 O TYR A 84 -3.073 12.151 -14.751 1.00 0.00 O ATOM 1369 CB TYR A 84 -4.701 11.071 -12.882 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.207 12.506 -12.714 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.553 12.972 -11.462 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -5.316 13.332 -13.813 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.029 14.322 -11.304 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -5.792 14.682 -13.655 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.125 15.110 -12.408 1.00 0.00 C ATOM 1376 OH TYR A 84 -6.574 16.385 -12.258 1.00 0.00 O ATOM 0 H TYR A 84 -3.625 12.013 -10.961 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.857 9.885 -12.799 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.971 10.716 -13.876 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.213 10.430 -12.164 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.467 12.325 -10.602 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.044 12.966 -14.792 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.304 14.700 -10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.882 15.339 -14.507 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.590 16.831 -13.130 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.187 11.978 -13.514 1.00 0.00 N ATOM 1387 CA GLY A 85 -0.377 12.753 -14.438 1.00 0.00 C ATOM 1388 C GLY A 85 0.589 11.850 -15.210 1.00 0.00 C ATOM 1389 O GLY A 85 1.058 12.215 -16.287 1.00 0.00 O ATOM 0 H GLY A 85 -0.690 11.641 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.023 13.283 -15.138 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.185 13.508 -13.889 1.00 0.00 H new ATOM 1393 N GLU A 86 0.857 10.690 -14.628 1.00 0.00 N ATOM 1394 CA GLU A 86 1.758 9.733 -15.247 1.00 0.00 C ATOM 1395 C GLU A 86 1.084 8.364 -15.357 1.00 0.00 C ATOM 1396 O GLU A 86 1.660 7.351 -14.964 1.00 0.00 O ATOM 1397 CB GLU A 86 3.073 9.637 -14.471 1.00 0.00 C ATOM 1398 CG GLU A 86 2.828 9.737 -12.964 1.00 0.00 C ATOM 1399 CD GLU A 86 4.093 9.383 -12.179 1.00 0.00 C ATOM 1400 OE1 GLU A 86 5.172 9.853 -12.599 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.951 8.650 -11.176 1.00 0.00 O ATOM 0 H GLU A 86 0.466 10.391 -13.734 1.00 0.00 H new ATOM 0 HA GLU A 86 1.993 10.082 -16.253 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.567 8.693 -14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.745 10.434 -14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.509 10.748 -12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.018 9.066 -12.678 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.128 8.378 -15.894 1.00 0.00 N ATOM 1409 CA LEU A 87 -0.886 7.150 -16.060 1.00 0.00 C ATOM 1410 C LEU A 87 0.025 6.068 -16.643 1.00 0.00 C ATOM 1411 O LEU A 87 -0.050 4.907 -16.244 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.145 7.406 -16.891 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.090 8.487 -16.361 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.604 9.371 -17.498 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.233 7.869 -15.553 1.00 0.00 C ATOM 0 H LEU A 87 -0.603 9.220 -16.219 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.237 6.786 -15.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.840 7.681 -17.901 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.701 6.472 -16.969 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.528 9.129 -15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.273 10.131 -17.094 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.761 9.855 -17.992 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.144 8.758 -18.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.889 8.659 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.801 7.189 -16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.824 7.318 -14.706 1.00 0.00 H new ATOM 1427 N ASP A 88 0.865 6.487 -17.579 1.00 0.00 N ATOM 1428 CA ASP A 88 1.789 5.568 -18.221 1.00 0.00 C ATOM 1429 C ASP A 88 2.474 4.712 -17.154 1.00 0.00 C ATOM 1430 O ASP A 88 2.636 3.506 -17.330 1.00 0.00 O ATOM 1431 CB ASP A 88 2.874 6.325 -18.988 1.00 0.00 C ATOM 1432 CG ASP A 88 3.100 5.852 -20.426 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.253 5.067 -20.904 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.115 6.285 -21.013 1.00 0.00 O ATOM 0 H ASP A 88 0.925 7.451 -17.908 1.00 0.00 H new ATOM 0 HA ASP A 88 1.221 4.949 -18.916 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.613 7.383 -19.006 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.813 6.237 -18.441 1.00 0.00 H new ATOM 1439 N MET A 89 2.859 5.371 -16.070 1.00 0.00 N ATOM 1440 CA MET A 89 3.523 4.685 -14.975 1.00 0.00 C ATOM 1441 C MET A 89 2.520 3.892 -14.135 1.00 0.00 C ATOM 1442 O MET A 89 2.771 2.740 -13.784 1.00 0.00 O ATOM 1443 CB MET A 89 4.234 5.709 -14.088 1.00 0.00 C ATOM 1444 CG MET A 89 5.216 5.022 -13.136 1.00 0.00 C ATOM 1445 SD MET A 89 4.372 4.523 -11.645 1.00 0.00 S ATOM 1446 CE MET A 89 5.724 3.763 -10.762 1.00 0.00 C ATOM 0 H MET A 89 2.724 6.372 -15.927 1.00 0.00 H new ATOM 0 HA MET A 89 4.248 3.988 -15.395 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.768 6.427 -14.711 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.498 6.271 -13.513 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.658 4.152 -13.622 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.033 5.700 -12.891 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.331 3.167 -9.938 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.286 3.120 -11.440 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.382 4.537 -10.368 1.00 0.00 H new ATOM 1456 N ILE A 90 1.403 4.540 -13.837 1.00 0.00 N ATOM 1457 CA ILE A 90 0.360 3.910 -13.045 1.00 0.00 C ATOM 1458 C ILE A 90 -0.074 2.610 -13.724 1.00 0.00 C ATOM 1459 O ILE A 90 -0.167 1.568 -13.077 1.00 0.00 O ATOM 1460 CB ILE A 90 -0.790 4.888 -12.798 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.359 6.013 -11.854 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.032 4.156 -12.287 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -0.549 7.382 -12.511 1.00 0.00 C ATOM 0 H ILE A 90 1.198 5.495 -14.130 1.00 0.00 H new ATOM 0 HA ILE A 90 0.739 3.644 -12.058 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.057 5.349 -13.749 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.941 5.963 -10.934 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.687 5.880 -11.578 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.835 4.874 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.351 3.421 -13.026 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.797 3.650 -11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.235 8.164 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.053 7.437 -13.418 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.600 7.521 -12.764 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.328 2.713 -15.021 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.750 1.558 -15.795 1.00 0.00 C ATOM 1477 C GLN A 91 0.201 0.383 -15.557 1.00 0.00 C ATOM 1478 O GLN A 91 -0.234 -0.710 -15.198 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.840 1.898 -17.283 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.247 2.371 -17.654 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.859 1.477 -18.735 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.046 0.285 -18.559 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -3.158 2.118 -19.861 1.00 0.00 N ATOM 0 H GLN A 91 -0.250 3.579 -15.555 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.746 1.267 -15.462 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.115 2.675 -17.526 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.579 1.022 -17.876 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.882 2.364 -16.768 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.207 3.401 -18.009 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.975 3.118 -19.942 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.570 1.609 -20.643 1.00 0.00 H new ATOM 1492 N GLU A 92 1.482 0.649 -15.768 1.00 0.00 N ATOM 1493 CA GLU A 92 2.498 -0.373 -15.582 1.00 0.00 C ATOM 1494 C GLU A 92 2.335 -1.041 -14.215 1.00 0.00 C ATOM 1495 O GLU A 92 2.211 -2.262 -14.128 1.00 0.00 O ATOM 1496 CB GLU A 92 3.902 0.215 -15.740 1.00 0.00 C ATOM 1497 CG GLU A 92 4.582 -0.320 -17.001 1.00 0.00 C ATOM 1498 CD GLU A 92 4.541 0.715 -18.127 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.316 1.691 -18.029 1.00 0.00 O ATOM 1500 OE2 GLU A 92 3.735 0.507 -19.060 1.00 0.00 O ATOM 0 H GLU A 92 1.839 1.557 -16.066 1.00 0.00 H new ATOM 0 HA GLU A 92 2.368 -1.132 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.841 1.302 -15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.504 -0.032 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.617 -0.579 -16.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.087 -1.235 -17.325 1.00 0.00 H new ATOM 1507 N SER A 93 2.339 -0.212 -13.182 1.00 0.00 N ATOM 1508 CA SER A 93 2.192 -0.708 -11.824 1.00 0.00 C ATOM 1509 C SER A 93 0.977 -1.633 -11.733 1.00 0.00 C ATOM 1510 O SER A 93 1.040 -2.686 -11.100 1.00 0.00 O ATOM 1511 CB SER A 93 2.056 0.446 -10.828 1.00 0.00 C ATOM 1512 OG SER A 93 1.887 1.700 -11.484 1.00 0.00 O ATOM 0 H SER A 93 2.442 0.800 -13.258 1.00 0.00 H new ATOM 0 HA SER A 93 3.089 -1.271 -11.567 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.204 0.262 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.942 0.485 -10.195 1.00 0.00 H new ATOM 0 HG SER A 93 1.115 1.653 -12.086 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.101 -1.206 -12.374 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.329 -1.984 -12.373 1.00 0.00 C ATOM 1520 C LYS A 94 -1.095 -3.299 -13.118 1.00 0.00 C ATOM 1521 O LYS A 94 -1.123 -4.371 -12.516 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.487 -1.156 -12.935 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.415 -2.022 -13.790 1.00 0.00 C ATOM 1524 CD LYS A 94 -4.750 -1.316 -14.036 1.00 0.00 C ATOM 1525 CE LYS A 94 -5.442 -1.872 -15.282 1.00 0.00 C ATOM 1526 NZ LYS A 94 -6.477 -0.931 -15.764 1.00 0.00 N ATOM 0 H LYS A 94 -0.150 -0.332 -12.897 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.616 -2.242 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.052 -0.711 -12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.094 -0.335 -13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.936 -2.244 -14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.590 -2.976 -13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.398 -1.443 -13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.583 -0.246 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.706 -2.045 -16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.897 -2.836 -15.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.937 -1.324 -16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.188 -0.786 -15.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.035 -0.020 -16.002 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.869 -3.174 -14.418 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.630 -4.340 -15.252 1.00 0.00 C ATOM 1542 C GLU A 95 0.487 -5.199 -14.656 1.00 0.00 C ATOM 1543 O GLU A 95 0.604 -6.381 -14.976 1.00 0.00 O ATOM 1544 CB GLU A 95 -0.299 -3.929 -16.688 1.00 0.00 C ATOM 1545 CG GLU A 95 0.817 -4.802 -17.265 1.00 0.00 C ATOM 1546 CD GLU A 95 0.325 -6.231 -17.505 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -0.893 -6.449 -17.331 1.00 0.00 O ATOM 1548 OE2 GLU A 95 1.179 -7.073 -17.859 1.00 0.00 O ATOM 0 H GLU A 95 -0.846 -2.283 -14.914 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.543 -4.935 -15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.191 -4.015 -17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.005 -2.883 -16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.172 -4.373 -18.202 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.665 -4.815 -16.580 1.00 0.00 H new ATOM 1555 N LEU A 96 1.279 -4.572 -13.799 1.00 0.00 N ATOM 1556 CA LEU A 96 2.383 -5.264 -13.155 1.00 0.00 C ATOM 1557 C LEU A 96 1.828 -6.360 -12.243 1.00 0.00 C ATOM 1558 O LEU A 96 2.552 -7.278 -11.860 1.00 0.00 O ATOM 1559 CB LEU A 96 3.294 -4.267 -12.437 1.00 0.00 C ATOM 1560 CG LEU A 96 4.643 -3.990 -13.104 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.516 -4.019 -14.628 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.241 -2.674 -12.604 1.00 0.00 C ATOM 0 H LEU A 96 1.178 -3.592 -13.535 1.00 0.00 H new ATOM 0 HA LEU A 96 3.012 -5.755 -13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.759 -3.322 -12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.479 -4.636 -11.428 1.00 0.00 H new ATOM 0 HG LEU A 96 5.334 -4.785 -12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.488 -3.819 -15.078 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.164 -5.001 -14.945 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.805 -3.258 -14.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.199 -2.501 -13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.561 -1.854 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.389 -2.728 -11.525 1.00 0.00 H new ATOM 1574 N GLY A 97 0.550 -6.227 -11.920 1.00 0.00 N ATOM 1575 CA GLY A 97 -0.109 -7.194 -11.059 1.00 0.00 C ATOM 1576 C GLY A 97 -0.382 -6.601 -9.676 1.00 0.00 C ATOM 1577 O GLY A 97 -0.527 -7.334 -8.699 1.00 0.00 O ATOM 0 H GLY A 97 -0.047 -5.464 -12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.047 -7.511 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.514 -8.083 -10.961 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.443 -5.278 -9.636 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.695 -4.577 -8.388 1.00 0.00 C ATOM 1583 C ALA A 98 -2.182 -4.681 -8.043 1.00 0.00 C ATOM 1584 O ALA A 98 -2.969 -5.214 -8.823 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.225 -3.127 -8.513 1.00 0.00 C ATOM 0 H ALA A 98 -0.322 -4.673 -10.448 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.134 -5.031 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.414 -2.601 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.843 -3.108 -8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.768 -2.637 -9.321 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.522 -4.162 -6.872 1.00 0.00 N ATOM 1592 CA LEU A 99 -3.901 -4.190 -6.413 1.00 0.00 C ATOM 1593 C LEU A 99 -4.709 -3.140 -7.178 1.00 0.00 C ATOM 1594 O LEU A 99 -5.779 -3.439 -7.707 1.00 0.00 O ATOM 1595 CB LEU A 99 -3.963 -4.026 -4.893 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.349 -5.160 -4.070 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.315 -6.342 -3.960 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -1.993 -5.579 -4.641 1.00 0.00 C ATOM 0 H LEU A 99 -1.867 -3.720 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.354 -5.159 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.459 -3.097 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.008 -3.917 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.173 -4.793 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.854 -7.135 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.235 -6.016 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.545 -6.718 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.578 -6.386 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.121 -5.922 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.313 -4.728 -4.625 1.00 0.00 H new ATOM 1610 N THR A 100 -4.167 -1.932 -7.214 1.00 0.00 N ATOM 1611 CA THR A 100 -4.824 -0.836 -7.906 1.00 0.00 C ATOM 1612 C THR A 100 -3.899 0.380 -7.980 1.00 0.00 C ATOM 1613 O THR A 100 -2.703 0.271 -7.715 1.00 0.00 O ATOM 1614 CB THR A 100 -6.147 -0.551 -7.191 1.00 0.00 C ATOM 1615 OG1 THR A 100 -6.728 0.509 -7.945 1.00 0.00 O ATOM 1616 CG2 THR A 100 -5.942 0.050 -5.799 1.00 0.00 C ATOM 0 H THR A 100 -3.279 -1.688 -6.775 1.00 0.00 H new ATOM 0 HA THR A 100 -5.046 -1.098 -8.940 1.00 0.00 H new ATOM 0 HB THR A 100 -6.720 -1.474 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.591 0.756 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.911 0.233 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.371 -0.645 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.398 0.990 -5.885 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.488 1.510 -8.340 1.00 0.00 N ATOM 1625 CA HIS A 101 -3.732 2.746 -8.452 1.00 0.00 C ATOM 1626 C HIS A 101 -4.607 3.924 -8.020 1.00 0.00 C ATOM 1627 O HIS A 101 -5.640 4.192 -8.632 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.169 2.912 -9.865 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.223 2.959 -10.945 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.015 3.984 -11.373 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -4.556 1.859 -11.716 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -5.789 3.535 -12.354 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -5.506 2.218 -12.567 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.481 1.596 -8.558 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.872 2.713 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.581 3.829 -9.905 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.487 2.087 -10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.116 0.876 -11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.522 4.117 -12.894 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -5.948 1.615 -13.260 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.161 4.597 -6.970 1.00 0.00 N ATOM 1642 CA PHE A 102 -4.890 5.741 -6.449 1.00 0.00 C ATOM 1643 C PHE A 102 -4.173 7.049 -6.787 1.00 0.00 C ATOM 1644 O PHE A 102 -2.964 7.057 -7.016 1.00 0.00 O ATOM 1645 CB PHE A 102 -4.946 5.581 -4.928 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.629 4.294 -4.462 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -6.566 3.699 -5.247 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.298 3.745 -3.263 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.200 2.504 -4.815 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -5.932 2.550 -2.830 1.00 0.00 C ATOM 1651 CZ PHE A 102 -6.869 1.955 -3.615 1.00 0.00 C ATOM 0 H PHE A 102 -3.304 4.372 -6.466 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.886 5.780 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.930 5.605 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.474 6.435 -4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.828 4.135 -6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.553 4.217 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.944 2.031 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.670 2.114 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.351 1.046 -3.286 1.00 0.00 H new ATOM 1661 N ALA A 103 -4.947 8.124 -6.808 1.00 0.00 N ATOM 1662 CA ALA A 103 -4.401 9.435 -7.114 1.00 0.00 C ATOM 1663 C ALA A 103 -4.322 10.262 -5.829 1.00 0.00 C ATOM 1664 O ALA A 103 -5.174 10.134 -4.951 1.00 0.00 O ATOM 1665 CB ALA A 103 -5.257 10.107 -8.189 1.00 0.00 C ATOM 0 H ALA A 103 -5.949 8.114 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.390 9.347 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.847 11.091 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.256 9.494 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.279 10.216 -7.825 1.00 0.00 H new ATOM 1671 N LYS A 104 -3.292 11.093 -5.760 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.091 11.941 -4.598 1.00 0.00 C ATOM 1673 C LYS A 104 -4.415 12.090 -3.845 1.00 0.00 C ATOM 1674 O LYS A 104 -4.523 11.689 -2.687 1.00 0.00 O ATOM 1675 CB LYS A 104 -2.465 13.275 -5.010 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.014 13.370 -4.533 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.129 14.024 -5.596 1.00 0.00 C ATOM 1678 CE LYS A 104 0.336 15.410 -5.146 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.498 16.307 -6.312 1.00 0.00 N ATOM 0 H LYS A 104 -2.588 11.197 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.382 11.481 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.503 13.379 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.044 14.098 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.968 13.948 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.637 12.373 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.737 13.392 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.681 14.108 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.388 15.835 -4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.281 15.326 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.814 17.243 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.206 15.908 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.412 16.401 -6.807 1.00 0.00 H new ATOM 1693 N PRO A 105 -5.415 12.682 -4.552 1.00 0.00 N ATOM 1694 CA PRO A 105 -6.727 12.888 -3.963 1.00 0.00 C ATOM 1695 C PRO A 105 -7.509 11.575 -3.892 1.00 0.00 C ATOM 1696 O PRO A 105 -8.309 11.276 -4.777 1.00 0.00 O ATOM 1697 CB PRO A 105 -7.395 13.930 -4.846 1.00 0.00 C ATOM 1698 CG PRO A 105 -6.621 13.926 -6.154 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.323 13.169 -5.925 1.00 0.00 C ATOM 0 HA PRO A 105 -6.675 13.234 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.444 13.686 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.367 14.914 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.206 13.452 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.416 14.946 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.215 12.345 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.457 13.818 -6.058 1.00 0.00 H new ATOM 1707 N PHE A 106 -7.249 10.826 -2.830 1.00 0.00 N ATOM 1708 CA PHE A 106 -7.918 9.552 -2.632 1.00 0.00 C ATOM 1709 C PHE A 106 -8.675 9.531 -1.302 1.00 0.00 C ATOM 1710 O PHE A 106 -8.325 10.258 -0.374 1.00 0.00 O ATOM 1711 CB PHE A 106 -6.832 8.475 -2.604 1.00 0.00 C ATOM 1712 CG PHE A 106 -5.467 8.981 -2.130 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -5.347 9.574 -0.912 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -4.375 8.836 -2.927 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.081 10.043 -0.473 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.108 9.305 -2.487 1.00 0.00 C ATOM 1717 CZ PHE A 106 -2.988 9.899 -1.270 1.00 0.00 C ATOM 0 H PHE A 106 -6.584 11.077 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 106 -8.638 9.382 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.155 7.665 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -6.725 8.055 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.215 9.688 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.471 8.365 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.986 10.514 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.240 9.190 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.025 10.256 -0.936 1.00 0.00 H new ATOM 1727 N ASP A 107 -9.697 8.689 -1.252 1.00 0.00 N ATOM 1728 CA ASP A 107 -10.505 8.564 -0.052 1.00 0.00 C ATOM 1729 C ASP A 107 -10.309 7.170 0.547 1.00 0.00 C ATOM 1730 O ASP A 107 -10.152 6.193 -0.184 1.00 0.00 O ATOM 1731 CB ASP A 107 -11.992 8.737 -0.369 1.00 0.00 C ATOM 1732 CG ASP A 107 -12.730 9.742 0.519 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.634 9.584 1.755 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -13.373 10.644 -0.059 1.00 0.00 O ATOM 0 H ASP A 107 -9.984 8.087 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.192 9.339 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.092 9.051 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.482 7.768 -0.280 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.323 7.122 1.871 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.148 5.864 2.576 1.00 0.00 C ATOM 1741 C ILE A 108 -11.436 5.044 2.475 1.00 0.00 C ATOM 1742 O ILE A 108 -11.390 3.822 2.341 1.00 0.00 O ATOM 1743 CB ILE A 108 -9.691 6.115 4.015 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -8.326 5.475 4.275 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -10.746 5.642 5.016 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -8.419 3.948 4.233 1.00 0.00 C ATOM 0 H ILE A 108 -10.453 7.934 2.474 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.357 5.275 2.112 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.575 7.190 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.611 5.820 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.950 5.793 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.396 5.832 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.677 6.183 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.918 4.574 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.435 3.518 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.117 3.605 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.772 3.632 3.251 1.00 0.00 H new ATOM 1758 N ASP A 109 -12.556 5.750 2.543 1.00 0.00 N ATOM 1759 CA ASP A 109 -13.854 5.103 2.461 1.00 0.00 C ATOM 1760 C ASP A 109 -13.907 4.232 1.203 1.00 0.00 C ATOM 1761 O ASP A 109 -14.386 3.100 1.247 1.00 0.00 O ATOM 1762 CB ASP A 109 -14.979 6.135 2.368 1.00 0.00 C ATOM 1763 CG ASP A 109 -16.140 5.916 3.341 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -16.988 5.053 3.027 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -16.152 6.616 4.376 1.00 0.00 O ATOM 0 H ASP A 109 -12.591 6.763 2.654 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.988 4.503 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.559 7.125 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.371 6.132 1.351 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.407 4.794 0.113 1.00 0.00 N ATOM 1771 CA GLU A 110 -13.391 4.083 -1.155 1.00 0.00 C ATOM 1772 C GLU A 110 -12.357 2.956 -1.118 1.00 0.00 C ATOM 1773 O GLU A 110 -12.500 1.954 -1.817 1.00 0.00 O ATOM 1774 CB GLU A 110 -13.117 5.040 -2.317 1.00 0.00 C ATOM 1775 CG GLU A 110 -11.701 5.613 -2.234 1.00 0.00 C ATOM 1776 CD GLU A 110 -11.140 5.893 -3.630 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -11.677 6.814 -4.282 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -10.188 5.179 -4.013 1.00 0.00 O ATOM 0 H GLU A 110 -13.010 5.733 0.081 1.00 0.00 H new ATOM 0 HA GLU A 110 -14.375 3.642 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -13.246 4.515 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.843 5.853 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.711 6.534 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.051 4.912 -1.711 1.00 0.00 H new ATOM 1785 N ILE A 111 -11.338 3.157 -0.296 1.00 0.00 N ATOM 1786 CA ILE A 111 -10.280 2.170 -0.159 1.00 0.00 C ATOM 1787 C ILE A 111 -10.764 1.032 0.742 1.00 0.00 C ATOM 1788 O ILE A 111 -10.290 -0.097 0.630 1.00 0.00 O ATOM 1789 CB ILE A 111 -8.989 2.832 0.327 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -8.236 3.484 -0.835 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -8.115 1.834 1.089 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -7.064 4.325 -0.326 1.00 0.00 C ATOM 0 H ILE A 111 -11.222 3.989 0.282 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.041 1.731 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.254 3.626 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.868 2.713 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.918 4.113 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.204 2.330 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.662 1.458 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.856 1.003 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.546 4.777 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.438 5.110 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.372 3.689 0.225 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.703 1.369 1.614 1.00 0.00 N ATOM 1805 CA ARG A 112 -12.256 0.389 2.534 1.00 0.00 C ATOM 1806 C ARG A 112 -13.080 -0.649 1.770 1.00 0.00 C ATOM 1807 O ARG A 112 -13.312 -1.751 2.267 1.00 0.00 O ATOM 1808 CB ARG A 112 -13.142 1.060 3.586 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.299 1.841 4.596 1.00 0.00 C ATOM 1810 CD ARG A 112 -13.128 2.221 5.824 1.00 0.00 C ATOM 1811 NE ARG A 112 -12.926 1.224 6.899 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.258 1.424 8.182 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -13.811 2.586 8.557 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -13.038 0.463 9.089 1.00 0.00 N ATOM 0 H ARG A 112 -12.095 2.307 1.703 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.423 -0.102 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.846 1.733 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.731 0.304 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.443 1.240 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.904 2.742 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.839 3.211 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.184 2.273 5.558 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.508 0.328 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.979 3.317 7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.064 2.739 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.618 -0.421 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.291 0.616 10.065 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.500 -0.262 0.575 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.294 -1.145 -0.263 1.00 0.00 C ATOM 1830 C ASP A 113 -13.390 -2.232 -0.849 1.00 0.00 C ATOM 1831 O ASP A 113 -13.719 -3.416 -0.791 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.928 -0.380 -1.425 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.448 -0.516 -1.536 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.886 -1.517 -2.143 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.138 0.384 -1.011 1.00 0.00 O ATOM 0 H ASP A 113 -13.305 0.652 0.166 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.081 -1.578 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.679 0.676 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.478 -0.725 -2.356 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.269 -1.791 -1.401 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.316 -2.711 -1.997 1.00 0.00 C ATOM 1842 C ALA A 114 -10.712 -3.593 -0.903 1.00 0.00 C ATOM 1843 O ALA A 114 -10.531 -4.794 -1.099 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.252 -1.920 -2.762 1.00 0.00 C ATOM 0 H ALA A 114 -12.000 -0.808 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.812 -3.367 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.537 -2.610 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.729 -1.333 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.731 -1.252 -2.075 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.418 -2.964 0.225 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.838 -3.677 1.351 1.00 0.00 C ATOM 1852 C VAL A 115 -10.889 -4.613 1.951 1.00 0.00 C ATOM 1853 O VAL A 115 -10.563 -5.709 2.404 1.00 0.00 O ATOM 1854 CB VAL A 115 -9.274 -2.682 2.366 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -8.885 -3.387 3.667 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -8.085 -1.916 1.781 1.00 0.00 C ATOM 0 H VAL A 115 -10.570 -1.968 0.384 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.002 -4.294 1.023 1.00 0.00 H new ATOM 0 HB VAL A 115 -10.057 -1.960 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.487 -2.657 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.764 -3.866 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.126 -4.142 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.703 -1.215 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.298 -2.619 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.406 -1.367 0.895 1.00 0.00 H new