USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 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 121 HIS : no HD1:sc= -0.0342 X(o=-2.2,f=-2.1) USER MOD Set 1.2: A 123 GLN : amide:sc= -2.12! C(o=-2.2!,f=-3.6!) USER MOD Set 2.1: A 106 GLN : amide:sc= -0.49 X(o=-0.25,f=-0.33) USER MOD Set 2.2: A 138 ASN : amide:sc= 0.243 X(o=-0.25,f=-0.38) USER MOD Set 3.1: A 64 LYS NZ :NH3+ 177:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 68 ASN : amide:sc= -3.08! K(o=-1.9!,f=-5.1) USER MOD Single : A 8 HIS : no HE2:sc= 2.13 K(o=2.1,f=-9.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -134:sc= -1.26 (180deg=-4.34!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.18) USER MOD Single : A 30 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 32 MET CE :methyl 145:sc= -0.0122 (180deg=-1.81) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -92:sc= 0.286 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.91 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.35 (180deg=-1.1) USER MOD Single : A 65 MET CE :methyl -118:sc= -0.113 (180deg=-2.25!) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.14) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0178 (180deg=-0.167) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.135 F(o=-1.8!,f=-0.13) USER MOD Single : A 82 THR OG1 : rot 36:sc=0.000497 USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.812) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 154:sc= 0.551 USER MOD Single : A 93 TYR OH : rot -156:sc= 0.0915 USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0155 (180deg=-0.185) USER MOD Single : A 98 MET CE :methyl 157:sc= 0 (180deg=-1.17) USER MOD Single : A 100 ASN : amide:sc= -0.215 K(o=-0.22,f=-11!) USER MOD Single : A 110 LYS NZ :NH3+ 149:sc= 1.03 (180deg=-1.78!) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 115 TYR OH : rot 146:sc= 0.437 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -12.1! C(o=-12!,f=-21!) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.0289 F(o=-0.62,f=-0.029) USER MOD Single : A 120 THR OG1 : rot 94:sc= 0.472 USER MOD Single : A 127 LYS NZ :NH3+ 171:sc= -0.0139 (180deg=-0.131) USER MOD Single : A 131 GLN :FLIP amide:sc= -1.72! C(o=-3.9!,f=-1.7!) USER MOD Single : A 133 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.0562) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -13.733 6.879 0.530 1.00 0.00 N ATOM 116 CA HIS A 8 -14.448 5.927 1.289 1.00 0.00 C ATOM 117 C HIS A 8 -13.559 4.792 1.623 1.00 0.00 C ATOM 118 O HIS A 8 -12.708 4.387 0.810 1.00 0.00 O ATOM 119 CB HIS A 8 -15.704 5.430 0.559 1.00 0.00 C ATOM 120 CG HIS A 8 -15.488 4.592 -0.693 1.00 0.00 C ATOM 121 ND1 HIS A 8 -16.052 3.352 -0.887 1.00 0.00 N ATOM 122 CD2 HIS A 8 -14.817 4.871 -1.834 1.00 0.00 C ATOM 123 CE1 HIS A 8 -15.728 2.932 -2.110 1.00 0.00 C ATOM 124 NE2 HIS A 8 -14.976 3.820 -2.735 1.00 0.00 N ATOM 0 HA HIS A 8 -14.785 6.412 2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.295 4.843 1.262 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.304 6.298 0.286 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -16.620 2.842 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.246 5.769 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.040 1.989 -2.534 1.00 0.00 H new ATOM 132 N LYS A 9 -13.716 4.296 2.781 1.00 0.00 N ATOM 133 CA LYS A 9 -12.950 3.219 3.179 1.00 0.00 C ATOM 134 C LYS A 9 -13.848 2.005 3.238 1.00 0.00 C ATOM 135 O LYS A 9 -15.017 2.106 3.619 1.00 0.00 O ATOM 136 CB LYS A 9 -12.313 3.510 4.494 1.00 0.00 C ATOM 137 CG LYS A 9 -11.062 2.721 4.696 1.00 0.00 C ATOM 138 CD LYS A 9 -10.432 2.988 6.021 1.00 0.00 C ATOM 139 CE LYS A 9 -10.169 4.464 6.248 1.00 0.00 C ATOM 140 NZ LYS A 9 -9.720 4.734 7.613 1.00 0.00 N ATOM 0 H LYS A 9 -14.384 4.634 3.474 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.144 3.027 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.085 4.574 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.017 3.285 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.288 1.658 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.352 2.960 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.081 2.611 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.493 2.439 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.414 4.811 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.078 5.030 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.551 5.754 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.451 4.426 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.838 4.214 7.798 1.00 0.00 H new ATOM 154 N GLU A 10 -13.313 0.890 2.908 1.00 0.00 N ATOM 155 CA GLU A 10 -14.051 -0.315 2.721 1.00 0.00 C ATOM 156 C GLU A 10 -13.350 -1.427 3.459 1.00 0.00 C ATOM 157 O GLU A 10 -12.148 -1.337 3.679 1.00 0.00 O ATOM 158 CB GLU A 10 -14.056 -0.641 1.237 1.00 0.00 C ATOM 159 CG GLU A 10 -14.850 0.324 0.346 1.00 0.00 C ATOM 160 CD GLU A 10 -16.331 0.341 0.645 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.969 -0.716 0.597 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.897 1.432 0.891 1.00 0.00 O ATOM 0 H GLU A 10 -12.311 0.780 2.753 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.070 -0.204 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.024 -0.665 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.461 -1.644 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.451 1.331 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.701 0.048 -0.698 1.00 0.00 H new ATOM 169 N PRO A 11 -14.059 -2.459 3.883 1.00 0.00 N ATOM 170 CA PRO A 11 -13.461 -3.589 4.565 1.00 0.00 C ATOM 171 C PRO A 11 -12.942 -4.654 3.593 1.00 0.00 C ATOM 172 O PRO A 11 -13.597 -4.991 2.585 1.00 0.00 O ATOM 173 CB PRO A 11 -14.629 -4.143 5.399 1.00 0.00 C ATOM 174 CG PRO A 11 -15.716 -3.138 5.211 1.00 0.00 C ATOM 175 CD PRO A 11 -15.500 -2.610 3.844 1.00 0.00 C ATOM 0 HA PRO A 11 -12.590 -3.301 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.934 -5.130 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.356 -4.244 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.701 -3.595 5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.657 -2.345 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.830 -3.302 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.017 -1.666 3.671 1.00 0.00 H new ATOM 183 N ALA A 12 -11.785 -5.168 3.898 1.00 0.00 N ATOM 184 CA ALA A 12 -11.152 -6.189 3.127 1.00 0.00 C ATOM 185 C ALA A 12 -10.530 -7.213 4.059 1.00 0.00 C ATOM 186 O ALA A 12 -10.147 -6.890 5.183 1.00 0.00 O ATOM 187 CB ALA A 12 -10.107 -5.578 2.211 1.00 0.00 C ATOM 0 H ALA A 12 -11.245 -4.878 4.713 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.893 -6.690 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.630 -6.365 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.585 -4.866 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.355 -5.063 2.809 1.00 0.00 H new ATOM 193 N THR A 13 -10.478 -8.430 3.631 1.00 0.00 N ATOM 194 CA THR A 13 -9.892 -9.475 4.445 1.00 0.00 C ATOM 195 C THR A 13 -8.650 -10.011 3.748 1.00 0.00 C ATOM 196 O THR A 13 -8.635 -10.127 2.535 1.00 0.00 O ATOM 197 CB THR A 13 -10.904 -10.618 4.690 1.00 0.00 C ATOM 198 OG1 THR A 13 -12.149 -10.067 5.155 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.373 -11.581 5.735 1.00 0.00 C ATOM 0 H THR A 13 -10.830 -8.739 2.725 1.00 0.00 H new ATOM 0 HA THR A 13 -9.619 -9.059 5.415 1.00 0.00 H new ATOM 0 HB THR A 13 -11.057 -11.153 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.790 -10.792 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.097 -12.379 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.432 -12.009 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.208 -11.047 6.671 1.00 0.00 H new ATOM 207 N LEU A 14 -7.614 -10.295 4.489 1.00 0.00 N ATOM 208 CA LEU A 14 -6.388 -10.774 3.907 1.00 0.00 C ATOM 209 C LEU A 14 -6.532 -12.176 3.331 1.00 0.00 C ATOM 210 O LEU A 14 -6.845 -13.129 4.038 1.00 0.00 O ATOM 211 CB LEU A 14 -5.210 -10.640 4.910 1.00 0.00 C ATOM 212 CG LEU A 14 -3.792 -11.096 4.462 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.545 -12.569 4.727 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.546 -10.768 2.992 1.00 0.00 C ATOM 0 H LEU A 14 -7.594 -10.202 5.505 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.150 -10.138 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.143 -9.592 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.472 -11.205 5.805 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.080 -10.535 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.541 -12.835 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.639 -12.767 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.277 -13.165 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.547 -11.098 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.286 -11.279 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.629 -9.692 2.841 1.00 0.00 H new ATOM 226 N ILE A 15 -6.348 -12.266 2.033 1.00 0.00 N ATOM 227 CA ILE A 15 -6.333 -13.523 1.357 1.00 0.00 C ATOM 228 C ILE A 15 -4.901 -13.940 1.128 1.00 0.00 C ATOM 229 O ILE A 15 -4.500 -15.029 1.536 1.00 0.00 O ATOM 230 CB ILE A 15 -7.103 -13.492 0.016 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.557 -13.093 0.264 1.00 0.00 C ATOM 232 CG2 ILE A 15 -7.037 -14.859 -0.670 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.388 -13.012 -0.986 1.00 0.00 C ATOM 0 H ILE A 15 -6.205 -11.461 1.423 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.845 -14.248 1.990 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.639 -12.756 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.010 -13.814 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.578 -12.125 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.584 -14.820 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.996 -15.118 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.484 -15.613 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.407 -12.723 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.960 -12.269 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.400 -13.984 -1.478 1.00 0.00 H new ATOM 245 N LYS A 16 -4.107 -13.055 0.525 1.00 0.00 N ATOM 246 CA LYS A 16 -2.705 -13.386 0.245 1.00 0.00 C ATOM 247 C LYS A 16 -1.929 -12.183 -0.245 1.00 0.00 C ATOM 248 O LYS A 16 -2.287 -11.590 -1.242 1.00 0.00 O ATOM 249 CB LYS A 16 -2.591 -14.509 -0.814 1.00 0.00 C ATOM 250 CG LYS A 16 -1.153 -14.851 -1.178 1.00 0.00 C ATOM 251 CD LYS A 16 -1.051 -15.888 -2.284 1.00 0.00 C ATOM 252 CE LYS A 16 0.406 -16.105 -2.663 1.00 0.00 C ATOM 253 NZ LYS A 16 0.569 -17.040 -3.795 1.00 0.00 N ATOM 0 H LYS A 16 -4.399 -12.124 0.226 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.279 -13.727 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.086 -15.405 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.124 -14.205 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.637 -13.943 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.638 -15.221 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.493 -16.828 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.617 -15.559 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.856 -15.147 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.948 -16.489 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.580 -17.151 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.165 -17.965 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.076 -16.664 -4.630 1.00 0.00 H new ATOM 267 N ALA A 17 -0.882 -11.832 0.450 1.00 0.00 N ATOM 268 CA ALA A 17 0.009 -10.785 -0.008 1.00 0.00 C ATOM 269 C ALA A 17 0.782 -11.306 -1.199 1.00 0.00 C ATOM 270 O ALA A 17 1.417 -12.368 -1.117 1.00 0.00 O ATOM 271 CB ALA A 17 0.947 -10.363 1.092 1.00 0.00 C ATOM 0 H ALA A 17 -0.618 -12.254 1.340 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.570 -9.908 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.607 -9.576 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.371 -9.989 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.544 -11.218 1.409 1.00 0.00 H new ATOM 277 N ILE A 18 0.730 -10.589 -2.294 1.00 0.00 N ATOM 278 CA ILE A 18 1.306 -11.084 -3.522 1.00 0.00 C ATOM 279 C ILE A 18 2.771 -10.657 -3.666 1.00 0.00 C ATOM 280 O ILE A 18 3.668 -11.512 -3.708 1.00 0.00 O ATOM 281 CB ILE A 18 0.486 -10.623 -4.756 1.00 0.00 C ATOM 282 CG1 ILE A 18 -1.003 -10.992 -4.608 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.045 -11.202 -6.048 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.299 -12.476 -4.470 1.00 0.00 C ATOM 0 H ILE A 18 0.298 -9.667 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 18 1.272 -12.173 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 18 0.569 -9.537 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.402 -10.477 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.542 -10.611 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.445 -10.857 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.076 -10.873 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.014 -12.291 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.374 -12.625 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.939 -13.003 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.797 -12.866 -3.585 1.00 0.00 H new ATOM 296 N ASP A 19 3.031 -9.352 -3.724 1.00 0.00 N ATOM 297 CA ASP A 19 4.450 -8.888 -3.950 1.00 0.00 C ATOM 298 C ASP A 19 4.775 -7.648 -3.202 1.00 0.00 C ATOM 299 O ASP A 19 5.698 -6.900 -3.558 1.00 0.00 O ATOM 300 CB ASP A 19 4.697 -8.561 -5.389 1.00 0.00 C ATOM 301 CG ASP A 19 4.863 -9.761 -6.294 1.00 0.00 C ATOM 302 OD1 ASP A 19 5.958 -10.384 -6.291 1.00 0.00 O ATOM 303 OD2 ASP A 19 3.947 -10.083 -7.063 1.00 0.00 O ATOM 0 H ASP A 19 2.337 -8.611 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 19 5.068 -9.718 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.867 -7.958 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.594 -7.945 -5.458 1.00 0.00 H new ATOM 308 N GLY A 20 4.065 -7.426 -2.201 1.00 0.00 N ATOM 309 CA GLY A 20 4.188 -6.202 -1.483 1.00 0.00 C ATOM 310 C GLY A 20 3.230 -5.268 -2.079 1.00 0.00 C ATOM 311 O GLY A 20 2.103 -5.148 -1.629 1.00 0.00 O ATOM 0 H GLY A 20 3.369 -8.074 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.976 -6.351 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.204 -5.812 -1.553 1.00 0.00 H new ATOM 315 N ASP A 21 3.617 -4.739 -3.199 1.00 0.00 N ATOM 316 CA ASP A 21 2.804 -3.829 -3.942 1.00 0.00 C ATOM 317 C ASP A 21 1.868 -4.570 -4.892 1.00 0.00 C ATOM 318 O ASP A 21 1.873 -4.416 -6.125 1.00 0.00 O ATOM 319 CB ASP A 21 3.614 -2.670 -4.543 1.00 0.00 C ATOM 320 CG ASP A 21 2.884 -1.862 -5.573 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.775 -1.374 -5.308 1.00 0.00 O ATOM 322 OD2 ASP A 21 3.408 -1.754 -6.711 1.00 0.00 O ATOM 0 H ASP A 21 4.522 -4.931 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 21 2.132 -3.316 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.927 -2.007 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.521 -3.074 -4.994 1.00 0.00 H new ATOM 327 N THR A 22 1.159 -5.478 -4.255 1.00 0.00 N ATOM 328 CA THR A 22 0.107 -6.299 -4.764 1.00 0.00 C ATOM 329 C THR A 22 -0.287 -7.248 -3.663 1.00 0.00 C ATOM 330 O THR A 22 0.581 -8.033 -3.151 1.00 0.00 O ATOM 331 CB THR A 22 0.453 -7.108 -6.024 1.00 0.00 C ATOM 332 OG1 THR A 22 1.836 -7.439 -6.053 1.00 0.00 O ATOM 333 CG2 THR A 22 0.003 -6.433 -7.313 1.00 0.00 C ATOM 0 H THR A 22 1.332 -5.670 -3.268 1.00 0.00 H new ATOM 0 HA THR A 22 -0.697 -5.631 -5.071 1.00 0.00 H new ATOM 0 HB THR A 22 -0.116 -8.036 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.032 -7.955 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.277 -7.055 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.079 -6.299 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.488 -5.461 -7.403 1.00 0.00 H new ATOM 341 N VAL A 23 -1.537 -7.137 -3.226 1.00 0.00 N ATOM 342 CA VAL A 23 -2.055 -7.969 -2.133 1.00 0.00 C ATOM 343 C VAL A 23 -3.466 -8.444 -2.448 1.00 0.00 C ATOM 344 O VAL A 23 -4.308 -7.651 -2.770 1.00 0.00 O ATOM 345 CB VAL A 23 -2.188 -7.157 -0.825 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.436 -8.031 0.395 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.045 -6.225 -0.615 1.00 0.00 C ATOM 0 H VAL A 23 -2.216 -6.479 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.354 -8.797 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.080 -6.544 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.520 -7.403 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.360 -8.592 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.605 -8.725 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.187 -5.679 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.116 -6.794 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.994 -5.520 -1.444 1.00 0.00 H new ATOM 357 N LYS A 24 -3.735 -9.700 -2.306 1.00 0.00 N ATOM 358 CA LYS A 24 -5.077 -10.184 -2.494 1.00 0.00 C ATOM 359 C LYS A 24 -5.849 -10.060 -1.259 1.00 0.00 C ATOM 360 O LYS A 24 -5.559 -10.755 -0.240 1.00 0.00 O ATOM 361 CB LYS A 24 -5.212 -11.611 -3.013 1.00 0.00 C ATOM 362 CG LYS A 24 -5.044 -11.739 -4.509 1.00 0.00 C ATOM 363 CD LYS A 24 -5.163 -13.178 -4.991 1.00 0.00 C ATOM 364 CE LYS A 24 -6.508 -13.831 -4.644 1.00 0.00 C ATOM 365 NZ LYS A 24 -6.577 -15.222 -5.141 1.00 0.00 N ATOM 0 H LYS A 24 -3.050 -10.415 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.470 -9.544 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.470 -12.238 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.192 -11.997 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.797 -11.129 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.070 -11.343 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.024 -13.203 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.358 -13.768 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.651 -13.822 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.320 -13.247 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.498 -15.635 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.465 -15.227 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.816 -15.784 -4.708 1.00 0.00 H new ATOM 379 N LEU A 25 -6.797 -9.180 -1.312 1.00 0.00 N ATOM 380 CA LEU A 25 -7.694 -9.000 -0.237 1.00 0.00 C ATOM 381 C LEU A 25 -9.117 -9.335 -0.685 1.00 0.00 C ATOM 382 O LEU A 25 -9.450 -9.261 -1.879 1.00 0.00 O ATOM 383 CB LEU A 25 -7.607 -7.570 0.278 1.00 0.00 C ATOM 384 CG LEU A 25 -6.231 -7.096 0.722 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.262 -5.628 0.999 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.765 -7.847 1.949 1.00 0.00 C ATOM 0 H LEU A 25 -6.964 -8.567 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.424 -9.673 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.962 -6.902 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.292 -7.467 1.119 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.525 -7.295 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.273 -5.297 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.551 -5.093 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.984 -5.422 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.779 -7.487 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.469 -7.684 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.710 -8.912 1.725 1.00 0.00 H new ATOM 398 N MET A 26 -9.896 -9.785 0.261 1.00 0.00 N ATOM 399 CA MET A 26 -11.312 -10.077 0.110 1.00 0.00 C ATOM 400 C MET A 26 -12.017 -8.791 0.316 1.00 0.00 C ATOM 401 O MET A 26 -12.107 -8.314 1.435 1.00 0.00 O ATOM 402 CB MET A 26 -11.761 -11.028 1.222 1.00 0.00 C ATOM 403 CG MET A 26 -13.256 -11.415 1.258 1.00 0.00 C ATOM 404 SD MET A 26 -13.647 -13.038 0.551 1.00 0.00 S ATOM 405 CE MET A 26 -13.323 -12.795 -1.181 1.00 0.00 C ATOM 0 H MET A 26 -9.554 -9.969 1.204 1.00 0.00 H new ATOM 0 HA MET A 26 -11.517 -10.526 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.177 -11.944 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.507 -10.573 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.596 -11.396 2.294 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.825 -10.656 0.722 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.144 -13.209 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.231 -11.729 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.395 -13.298 -1.452 1.00 0.00 H new ATOM 415 N TYR A 27 -12.477 -8.243 -0.710 1.00 0.00 N ATOM 416 CA TYR A 27 -13.103 -6.996 -0.681 1.00 0.00 C ATOM 417 C TYR A 27 -14.525 -7.179 -1.095 1.00 0.00 C ATOM 418 O TYR A 27 -14.809 -7.633 -2.209 1.00 0.00 O ATOM 419 CB TYR A 27 -12.321 -6.046 -1.582 1.00 0.00 C ATOM 420 CG TYR A 27 -13.033 -4.776 -2.022 1.00 0.00 C ATOM 421 CD1 TYR A 27 -12.993 -3.623 -1.251 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.742 -4.733 -3.222 1.00 0.00 C ATOM 423 CE1 TYR A 27 -13.637 -2.479 -1.656 1.00 0.00 C ATOM 424 CE2 TYR A 27 -14.388 -3.589 -3.627 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.331 -2.464 -2.839 1.00 0.00 C ATOM 426 OH TYR A 27 -14.980 -1.318 -3.235 1.00 0.00 O ATOM 0 H TYR A 27 -12.431 -8.661 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.112 -6.555 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.407 -5.760 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.021 -6.594 -2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.448 -3.625 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.784 -5.614 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.597 -1.591 -1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.936 -3.574 -4.557 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.423 -1.473 -4.095 1.00 0.00 H new ATOM 436 N LYS A 28 -15.389 -6.972 -0.131 1.00 0.00 N ATOM 437 CA LYS A 28 -16.831 -7.040 -0.281 1.00 0.00 C ATOM 438 C LYS A 28 -17.273 -8.422 -0.818 1.00 0.00 C ATOM 439 O LYS A 28 -18.301 -8.573 -1.475 1.00 0.00 O ATOM 440 CB LYS A 28 -17.323 -5.845 -1.124 1.00 0.00 C ATOM 441 CG LYS A 28 -18.830 -5.575 -1.048 1.00 0.00 C ATOM 442 CD LYS A 28 -19.178 -4.158 -1.516 1.00 0.00 C ATOM 443 CE LYS A 28 -18.579 -3.112 -0.567 1.00 0.00 C ATOM 444 NZ LYS A 28 -18.852 -1.720 -0.975 1.00 0.00 N ATOM 0 H LYS A 28 -15.100 -6.742 0.820 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.311 -6.951 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.792 -4.949 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.052 -6.019 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.361 -6.302 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.173 -5.714 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.799 -4.000 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.261 -4.039 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.976 -3.273 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.501 -3.260 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.363 -1.067 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.510 -1.569 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.876 -1.542 -0.937 1.00 0.00 H new ATOM 458 N GLY A 29 -16.496 -9.431 -0.464 1.00 0.00 N ATOM 459 CA GLY A 29 -16.796 -10.781 -0.867 1.00 0.00 C ATOM 460 C GLY A 29 -16.121 -11.180 -2.164 1.00 0.00 C ATOM 461 O GLY A 29 -16.391 -12.256 -2.700 1.00 0.00 O ATOM 0 H GLY A 29 -15.653 -9.334 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.487 -11.466 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.875 -10.889 -0.978 1.00 0.00 H new ATOM 465 N GLN A 30 -15.253 -10.327 -2.680 1.00 0.00 N ATOM 466 CA GLN A 30 -14.547 -10.613 -3.903 1.00 0.00 C ATOM 467 C GLN A 30 -13.055 -10.524 -3.676 1.00 0.00 C ATOM 468 O GLN A 30 -12.586 -9.571 -3.061 1.00 0.00 O ATOM 469 CB GLN A 30 -14.952 -9.598 -4.924 1.00 0.00 C ATOM 470 CG GLN A 30 -16.429 -9.613 -5.194 1.00 0.00 C ATOM 471 CD GLN A 30 -16.904 -8.468 -6.073 1.00 0.00 C ATOM 472 OE1 GLN A 30 -18.037 -8.022 -5.957 1.00 0.00 O ATOM 473 NE2 GLN A 30 -16.051 -7.974 -6.940 1.00 0.00 N ATOM 0 H GLN A 30 -15.024 -9.425 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.790 -11.620 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.658 -8.606 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.414 -9.787 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.692 -10.557 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -16.963 -9.575 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.113 -8.367 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.326 -7.197 -7.540 1.00 0.00 H new ATOM 482 N PRO A 31 -12.283 -11.525 -4.106 1.00 0.00 N ATOM 483 CA PRO A 31 -10.848 -11.481 -3.993 1.00 0.00 C ATOM 484 C PRO A 31 -10.317 -10.536 -5.006 1.00 0.00 C ATOM 485 O PRO A 31 -10.710 -10.589 -6.191 1.00 0.00 O ATOM 486 CB PRO A 31 -10.383 -12.892 -4.340 1.00 0.00 C ATOM 487 CG PRO A 31 -11.609 -13.704 -4.404 1.00 0.00 C ATOM 488 CD PRO A 31 -12.728 -12.759 -4.745 1.00 0.00 C ATOM 0 HA PRO A 31 -10.515 -11.163 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.852 -12.907 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.697 -13.276 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.518 -14.486 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.796 -14.200 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.849 -12.641 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.686 -13.101 -4.352 1.00 0.00 H new ATOM 496 N MET A 32 -9.471 -9.676 -4.594 1.00 0.00 N ATOM 497 CA MET A 32 -8.943 -8.737 -5.500 1.00 0.00 C ATOM 498 C MET A 32 -7.542 -8.437 -5.115 1.00 0.00 C ATOM 499 O MET A 32 -7.209 -8.373 -3.915 1.00 0.00 O ATOM 500 CB MET A 32 -9.801 -7.473 -5.531 1.00 0.00 C ATOM 501 CG MET A 32 -9.625 -6.659 -6.816 1.00 0.00 C ATOM 502 SD MET A 32 -10.781 -5.272 -6.965 1.00 0.00 S ATOM 503 CE MET A 32 -10.284 -4.269 -5.580 1.00 0.00 C ATOM 0 H MET A 32 -9.129 -9.602 -3.636 1.00 0.00 H new ATOM 0 HA MET A 32 -8.952 -9.151 -6.508 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.850 -7.750 -5.424 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.548 -6.848 -4.675 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.605 -6.276 -6.856 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.751 -7.319 -7.674 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.389 -3.215 -5.838 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.914 -4.497 -4.721 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.243 -4.480 -5.333 1.00 0.00 H new ATOM 513 N THR A 33 -6.719 -8.301 -6.092 1.00 0.00 N ATOM 514 CA THR A 33 -5.361 -8.033 -5.873 1.00 0.00 C ATOM 515 C THR A 33 -5.179 -6.530 -5.803 1.00 0.00 C ATOM 516 O THR A 33 -5.200 -5.844 -6.797 1.00 0.00 O ATOM 517 CB THR A 33 -4.510 -8.634 -6.991 1.00 0.00 C ATOM 518 OG1 THR A 33 -4.937 -9.995 -7.234 1.00 0.00 O ATOM 519 CG2 THR A 33 -3.045 -8.636 -6.596 1.00 0.00 C ATOM 0 H THR A 33 -6.982 -8.375 -7.075 1.00 0.00 H new ATOM 0 HA THR A 33 -5.036 -8.486 -4.936 1.00 0.00 H new ATOM 0 HB THR A 33 -4.634 -8.034 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.395 -10.385 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.451 -9.067 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.717 -7.613 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.913 -9.229 -5.691 1.00 0.00 H new ATOM 527 N PHE A 34 -5.084 -6.042 -4.626 1.00 0.00 N ATOM 528 CA PHE A 34 -4.920 -4.659 -4.360 1.00 0.00 C ATOM 529 C PHE A 34 -3.509 -4.206 -4.664 1.00 0.00 C ATOM 530 O PHE A 34 -2.570 -5.011 -4.662 1.00 0.00 O ATOM 531 CB PHE A 34 -5.290 -4.348 -2.933 1.00 0.00 C ATOM 532 CG PHE A 34 -6.761 -4.311 -2.668 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.498 -5.467 -2.532 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.404 -3.093 -2.553 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.849 -5.410 -2.285 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.748 -3.029 -2.308 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.474 -4.185 -2.173 1.00 0.00 C ATOM 0 H PHE A 34 -5.119 -6.616 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.592 -4.107 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.835 -5.095 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.860 -3.384 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.010 -6.426 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.838 -2.180 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.419 -6.321 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.237 -2.070 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.535 -4.136 -1.979 1.00 0.00 H new ATOM 547 N ARG A 35 -3.386 -2.936 -4.918 1.00 0.00 N ATOM 548 CA ARG A 35 -2.183 -2.306 -5.315 1.00 0.00 C ATOM 549 C ARG A 35 -1.874 -1.259 -4.293 1.00 0.00 C ATOM 550 O ARG A 35 -2.772 -0.523 -3.861 1.00 0.00 O ATOM 551 CB ARG A 35 -2.447 -1.655 -6.661 1.00 0.00 C ATOM 552 CG ARG A 35 -1.243 -1.360 -7.552 1.00 0.00 C ATOM 553 CD ARG A 35 -0.395 -0.171 -7.109 1.00 0.00 C ATOM 554 NE ARG A 35 0.485 0.301 -8.204 1.00 0.00 N ATOM 555 CZ ARG A 35 1.683 0.892 -8.043 1.00 0.00 C ATOM 556 NH1 ARG A 35 2.241 0.936 -6.853 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.332 1.389 -9.099 1.00 0.00 N ATOM 0 H ARG A 35 -4.170 -2.287 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.349 -3.003 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.127 -2.299 -7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.971 -0.716 -6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.610 -2.246 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.596 -1.178 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.045 0.642 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.211 -0.455 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 35 0.155 0.167 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.766 0.522 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.149 1.384 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.920 1.321 -10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.240 1.837 -8.975 1.00 0.00 H new ATOM 571 N LEU A 36 -0.651 -1.170 -3.924 1.00 0.00 N ATOM 572 CA LEU A 36 -0.242 -0.229 -2.945 1.00 0.00 C ATOM 573 C LEU A 36 -0.128 1.168 -3.516 1.00 0.00 C ATOM 574 O LEU A 36 0.791 1.497 -4.267 1.00 0.00 O ATOM 575 CB LEU A 36 1.041 -0.671 -2.255 1.00 0.00 C ATOM 576 CG LEU A 36 0.957 -1.946 -1.422 1.00 0.00 C ATOM 577 CD1 LEU A 36 2.221 -2.144 -0.651 1.00 0.00 C ATOM 578 CD2 LEU A 36 -0.209 -1.917 -0.484 1.00 0.00 C ATOM 0 H LEU A 36 0.101 -1.751 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.022 -0.191 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.808 -0.810 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.378 0.139 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 36 0.816 -2.779 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.148 -3.057 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.060 -2.225 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.379 -1.294 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.236 -2.842 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.109 -1.070 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.133 -1.818 -1.054 1.00 0.00 H new ATOM 590 N LEU A 37 -1.153 1.937 -3.239 1.00 0.00 N ATOM 591 CA LEU A 37 -1.187 3.368 -3.532 1.00 0.00 C ATOM 592 C LEU A 37 0.029 4.095 -3.061 1.00 0.00 C ATOM 593 O LEU A 37 0.521 3.872 -1.967 1.00 0.00 O ATOM 594 CB LEU A 37 -2.340 4.067 -2.874 1.00 0.00 C ATOM 595 CG LEU A 37 -3.542 4.425 -3.730 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.202 5.608 -3.213 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.161 4.782 -5.052 1.00 0.00 C ATOM 0 H LEU A 37 -2.005 1.591 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.266 3.398 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.689 3.437 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.962 4.987 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.183 3.543 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.061 5.849 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.538 5.421 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.504 6.445 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.050 5.031 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.496 5.645 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.645 3.944 -5.521 1.00 0.00 H new ATOM 609 N LEU A 38 0.449 4.991 -3.902 1.00 0.00 N ATOM 610 CA LEU A 38 1.551 5.899 -3.685 1.00 0.00 C ATOM 611 C LEU A 38 2.874 5.206 -3.370 1.00 0.00 C ATOM 612 O LEU A 38 3.822 5.825 -2.885 1.00 0.00 O ATOM 613 CB LEU A 38 1.257 7.034 -2.676 1.00 0.00 C ATOM 614 CG LEU A 38 0.296 8.135 -3.147 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.764 8.712 -4.485 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.130 7.623 -3.228 1.00 0.00 C ATOM 0 H LEU A 38 0.010 5.121 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 38 1.669 6.378 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.847 6.588 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.203 7.501 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 38 0.306 8.939 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.073 9.491 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.761 9.136 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.791 7.920 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.786 8.426 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.179 6.794 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.450 7.281 -2.244 1.00 0.00 H new ATOM 628 N VAL A 39 2.977 4.000 -3.804 1.00 0.00 N ATOM 629 CA VAL A 39 4.037 3.119 -3.396 1.00 0.00 C ATOM 630 C VAL A 39 4.808 2.646 -4.576 1.00 0.00 C ATOM 631 O VAL A 39 4.232 2.238 -5.586 1.00 0.00 O ATOM 632 CB VAL A 39 3.464 1.921 -2.570 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.432 0.782 -2.437 1.00 0.00 C ATOM 634 CG2 VAL A 39 3.117 2.384 -1.194 1.00 0.00 C ATOM 0 H VAL A 39 2.321 3.582 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 39 4.722 3.671 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 39 2.588 1.564 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.975 -0.017 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.690 0.407 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.334 1.128 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.718 1.549 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.011 2.768 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.368 3.174 -1.254 1.00 0.00 H new ATOM 644 N ASP A 40 6.081 2.791 -4.483 1.00 0.00 N ATOM 645 CA ASP A 40 6.965 2.349 -5.500 1.00 0.00 C ATOM 646 C ASP A 40 7.806 1.225 -4.976 1.00 0.00 C ATOM 647 O ASP A 40 8.773 1.459 -4.235 1.00 0.00 O ATOM 648 CB ASP A 40 7.856 3.478 -5.923 1.00 0.00 C ATOM 649 CG ASP A 40 8.709 3.139 -7.102 1.00 0.00 C ATOM 650 OD1 ASP A 40 8.178 2.994 -8.214 1.00 0.00 O ATOM 651 OD2 ASP A 40 9.929 3.003 -6.945 1.00 0.00 O ATOM 0 H ASP A 40 6.545 3.227 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 40 6.384 2.006 -6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.243 4.347 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.496 3.761 -5.088 1.00 0.00 H new ATOM 656 N THR A 41 7.394 0.040 -5.273 1.00 0.00 N ATOM 657 CA THR A 41 8.114 -1.159 -4.918 1.00 0.00 C ATOM 658 C THR A 41 8.341 -1.950 -6.184 1.00 0.00 C ATOM 659 O THR A 41 7.397 -2.175 -6.940 1.00 0.00 O ATOM 660 CB THR A 41 7.294 -2.043 -3.957 1.00 0.00 C ATOM 661 OG1 THR A 41 6.893 -1.275 -2.826 1.00 0.00 O ATOM 662 CG2 THR A 41 8.109 -3.237 -3.462 1.00 0.00 C ATOM 0 H THR A 41 6.528 -0.138 -5.781 1.00 0.00 H new ATOM 0 HA THR A 41 9.047 -0.877 -4.429 1.00 0.00 H new ATOM 0 HB THR A 41 6.426 -2.410 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.562 -1.365 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.500 -3.838 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.416 -3.845 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.993 -2.880 -2.933 1.00 0.00 H new ATOM 891 N GLY A 55 12.213 -6.975 -2.322 1.00 0.00 N ATOM 892 CA GLY A 55 10.946 -7.437 -2.749 1.00 0.00 C ATOM 893 C GLY A 55 10.336 -8.381 -1.745 1.00 0.00 C ATOM 894 O GLY A 55 9.212 -8.170 -1.309 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.280 -6.588 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.046 -7.941 -3.710 1.00 0.00 H new ATOM 898 N PRO A 56 11.080 -9.447 -1.325 1.00 0.00 N ATOM 899 CA PRO A 56 10.624 -10.390 -0.296 1.00 0.00 C ATOM 900 C PRO A 56 10.312 -9.663 1.011 1.00 0.00 C ATOM 901 O PRO A 56 9.341 -9.972 1.694 1.00 0.00 O ATOM 902 CB PRO A 56 11.867 -11.280 -0.125 1.00 0.00 C ATOM 903 CG PRO A 56 12.973 -10.422 -0.586 1.00 0.00 C ATOM 904 CD PRO A 56 12.416 -9.854 -1.817 1.00 0.00 C ATOM 0 HA PRO A 56 9.713 -10.927 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.002 -11.585 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.792 -12.191 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.224 -9.652 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.883 -10.992 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 56 12.999 -9.011 -2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.359 -10.583 -2.625 1.00 0.00 H new ATOM 912 N GLU A 57 11.131 -8.658 1.306 1.00 0.00 N ATOM 913 CA GLU A 57 10.992 -7.849 2.490 1.00 0.00 C ATOM 914 C GLU A 57 9.676 -7.094 2.414 1.00 0.00 C ATOM 915 O GLU A 57 8.842 -7.175 3.319 1.00 0.00 O ATOM 916 CB GLU A 57 12.154 -6.854 2.578 1.00 0.00 C ATOM 917 CG GLU A 57 13.540 -7.491 2.547 1.00 0.00 C ATOM 918 CD GLU A 57 13.767 -8.447 3.681 1.00 0.00 C ATOM 919 OE1 GLU A 57 14.028 -7.997 4.811 1.00 0.00 O ATOM 920 OE2 GLU A 57 13.696 -9.668 3.476 1.00 0.00 O ATOM 0 H GLU A 57 11.917 -8.387 0.715 1.00 0.00 H new ATOM 0 HA GLU A 57 11.004 -8.485 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.074 -6.149 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.054 -6.279 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.671 -8.018 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.296 -6.707 2.582 1.00 0.00 H new ATOM 927 N ALA A 58 9.480 -6.407 1.297 1.00 0.00 N ATOM 928 CA ALA A 58 8.281 -5.631 1.060 1.00 0.00 C ATOM 929 C ALA A 58 7.053 -6.506 1.108 1.00 0.00 C ATOM 930 O ALA A 58 6.069 -6.177 1.804 1.00 0.00 O ATOM 931 CB ALA A 58 8.357 -4.915 -0.270 1.00 0.00 C ATOM 0 H ALA A 58 10.153 -6.375 0.531 1.00 0.00 H new ATOM 0 HA ALA A 58 8.206 -4.886 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.445 -4.339 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.216 -4.243 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.465 -5.646 -1.071 1.00 0.00 H new ATOM 937 N SER A 59 7.119 -7.631 0.413 1.00 0.00 N ATOM 938 CA SER A 59 6.024 -8.549 0.361 1.00 0.00 C ATOM 939 C SER A 59 5.669 -9.032 1.757 1.00 0.00 C ATOM 940 O SER A 59 4.544 -8.894 2.167 1.00 0.00 O ATOM 941 CB SER A 59 6.322 -9.734 -0.567 1.00 0.00 C ATOM 942 OG SER A 59 5.135 -10.453 -0.860 1.00 0.00 O ATOM 0 H SER A 59 7.936 -7.920 -0.125 1.00 0.00 H new ATOM 0 HA SER A 59 5.166 -8.020 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.772 -9.374 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.048 -10.397 -0.096 1.00 0.00 H new ATOM 0 HG SER A 59 5.345 -11.203 -1.454 1.00 0.00 H new ATOM 948 N ALA A 60 6.662 -9.484 2.517 1.00 0.00 N ATOM 949 CA ALA A 60 6.450 -10.038 3.817 1.00 0.00 C ATOM 950 C ALA A 60 6.142 -8.975 4.845 1.00 0.00 C ATOM 951 O ALA A 60 5.622 -9.285 5.898 1.00 0.00 O ATOM 952 CB ALA A 60 7.616 -10.899 4.247 1.00 0.00 C ATOM 0 H ALA A 60 7.640 -9.468 2.229 1.00 0.00 H new ATOM 0 HA ALA A 60 5.571 -10.679 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.422 -11.305 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.744 -11.718 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.524 -10.296 4.272 1.00 0.00 H new ATOM 958 N PHE A 61 6.490 -7.729 4.570 1.00 0.00 N ATOM 959 CA PHE A 61 6.103 -6.658 5.462 1.00 0.00 C ATOM 960 C PHE A 61 4.654 -6.307 5.217 1.00 0.00 C ATOM 961 O PHE A 61 3.867 -6.167 6.173 1.00 0.00 O ATOM 962 CB PHE A 61 6.960 -5.430 5.275 1.00 0.00 C ATOM 963 CG PHE A 61 6.779 -4.423 6.381 1.00 0.00 C ATOM 964 CD1 PHE A 61 5.793 -3.450 6.314 1.00 0.00 C ATOM 965 CD2 PHE A 61 7.592 -4.467 7.497 1.00 0.00 C ATOM 966 CE1 PHE A 61 5.629 -2.545 7.336 1.00 0.00 C ATOM 967 CE2 PHE A 61 7.432 -3.561 8.527 1.00 0.00 C ATOM 968 CZ PHE A 61 6.448 -2.596 8.444 1.00 0.00 C ATOM 0 H PHE A 61 7.029 -7.441 3.753 1.00 0.00 H new ATOM 0 HA PHE A 61 6.243 -7.005 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.008 -5.727 5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.716 -4.963 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.147 -3.403 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.363 -5.220 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.857 -1.793 7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.074 -3.607 9.394 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.320 -1.883 9.245 1.00 0.00 H new ATOM 978 N THR A 62 4.293 -6.178 3.937 1.00 0.00 N ATOM 979 CA THR A 62 2.913 -5.912 3.568 1.00 0.00 C ATOM 980 C THR A 62 2.071 -7.061 4.142 1.00 0.00 C ATOM 981 O THR A 62 1.082 -6.854 4.897 1.00 0.00 O ATOM 982 CB THR A 62 2.762 -5.819 2.007 1.00 0.00 C ATOM 983 OG1 THR A 62 3.692 -4.859 1.506 1.00 0.00 O ATOM 984 CG2 THR A 62 1.375 -5.358 1.646 1.00 0.00 C ATOM 0 H THR A 62 4.937 -6.254 3.149 1.00 0.00 H new ATOM 0 HA THR A 62 2.578 -4.956 3.969 1.00 0.00 H new ATOM 0 HB THR A 62 2.948 -6.803 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.592 -5.246 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.282 -5.297 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.644 -6.067 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.193 -4.375 2.081 1.00 0.00 H new ATOM 992 N LYS A 63 2.590 -8.255 3.906 1.00 0.00 N ATOM 993 CA LYS A 63 2.050 -9.478 4.376 1.00 0.00 C ATOM 994 C LYS A 63 1.948 -9.489 5.876 1.00 0.00 C ATOM 995 O LYS A 63 0.901 -9.842 6.399 1.00 0.00 O ATOM 996 CB LYS A 63 2.887 -10.631 3.837 1.00 0.00 C ATOM 997 CG LYS A 63 3.100 -11.759 4.760 1.00 0.00 C ATOM 998 CD LYS A 63 3.812 -12.895 4.110 1.00 0.00 C ATOM 999 CE LYS A 63 3.786 -14.110 5.013 1.00 0.00 C ATOM 1000 NZ LYS A 63 2.471 -14.787 5.012 1.00 0.00 N ATOM 0 H LYS A 63 3.438 -8.382 3.354 1.00 0.00 H new ATOM 0 HA LYS A 63 1.031 -9.595 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.408 -11.011 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.861 -10.240 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.675 -11.418 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.137 -12.104 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.341 -13.131 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.843 -12.613 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.554 -14.814 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.035 -13.808 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.129 -14.882 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.792 -14.225 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.567 -15.731 4.585 1.00 0.00 H new ATOM 1014 N LYS A 64 3.017 -9.073 6.573 1.00 0.00 N ATOM 1015 CA LYS A 64 2.966 -9.043 8.004 1.00 0.00 C ATOM 1016 C LYS A 64 1.827 -8.128 8.400 1.00 0.00 C ATOM 1017 O LYS A 64 0.907 -8.581 8.990 1.00 0.00 O ATOM 1018 CB LYS A 64 4.352 -8.682 8.701 1.00 0.00 C ATOM 1019 CG LYS A 64 4.668 -7.190 8.982 1.00 0.00 C ATOM 1020 CD LYS A 64 4.065 -6.701 10.313 1.00 0.00 C ATOM 1021 CE LYS A 64 4.913 -7.121 11.515 1.00 0.00 C ATOM 1022 NZ LYS A 64 4.367 -6.591 12.790 1.00 0.00 N ATOM 0 H LYS A 64 3.898 -8.764 6.162 1.00 0.00 H new ATOM 0 HA LYS A 64 2.776 -10.049 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.395 -9.215 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.152 -9.079 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.749 -7.048 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.282 -6.580 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.977 -5.615 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.057 -7.101 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.959 -8.209 11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.934 -6.764 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.940 -6.939 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.394 -5.551 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.384 -6.910 12.906 1.00 0.00 H new ATOM 1036 N MET A 65 1.810 -6.883 7.914 1.00 0.00 N ATOM 1037 CA MET A 65 0.745 -5.944 8.319 1.00 0.00 C ATOM 1038 C MET A 65 -0.629 -6.500 8.043 1.00 0.00 C ATOM 1039 O MET A 65 -1.525 -6.400 8.877 1.00 0.00 O ATOM 1040 CB MET A 65 0.864 -4.616 7.631 1.00 0.00 C ATOM 1041 CG MET A 65 2.139 -3.896 7.926 1.00 0.00 C ATOM 1042 SD MET A 65 2.196 -2.235 7.261 1.00 0.00 S ATOM 1043 CE MET A 65 1.007 -1.414 8.306 1.00 0.00 C ATOM 0 H MET A 65 2.495 -6.505 7.260 1.00 0.00 H new ATOM 0 HA MET A 65 0.875 -5.804 9.392 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.783 -4.767 6.554 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.025 -3.987 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.279 -3.851 9.006 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.972 -4.469 7.520 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.181 -1.045 7.698 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.626 -2.118 9.046 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.486 -0.577 8.814 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.764 -7.186 6.944 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.086 -7.663 6.565 1.00 0.00 C ATOM 1055 C VAL A 66 -2.469 -8.923 7.313 1.00 0.00 C ATOM 1056 O VAL A 66 -3.648 -9.190 7.533 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.325 -7.784 5.034 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.329 -6.408 4.398 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.280 -8.649 4.375 1.00 0.00 C ATOM 0 H VAL A 66 -0.007 -7.428 6.304 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.767 -6.872 6.879 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.295 -8.258 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.497 -6.503 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.124 -5.806 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.368 -5.924 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.480 -8.710 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.294 -8.214 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.310 -9.649 4.807 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.482 -9.675 7.743 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.732 -10.842 8.555 1.00 0.00 C ATOM 1071 C GLU A 67 -1.893 -10.442 10.011 1.00 0.00 C ATOM 1072 O GLU A 67 -2.498 -11.147 10.805 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.602 -11.848 8.461 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.408 -12.499 7.109 1.00 0.00 C ATOM 1075 CD GLU A 67 0.397 -13.739 7.207 1.00 0.00 C ATOM 1076 OE1 GLU A 67 1.620 -13.651 7.291 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -0.175 -14.836 7.144 1.00 0.00 O ATOM 0 H GLU A 67 -0.497 -9.499 7.543 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.646 -11.301 8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.327 -11.350 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.777 -12.632 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.380 -12.730 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.084 -11.798 6.435 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.301 -9.339 10.352 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.307 -8.790 11.676 1.00 0.00 C ATOM 1086 C ASN A 68 -2.543 -8.028 11.919 1.00 0.00 C ATOM 1087 O ASN A 68 -3.025 -7.941 13.056 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.110 -7.879 11.809 1.00 0.00 C ATOM 1089 CG ASN A 68 1.213 -8.581 11.923 1.00 0.00 C ATOM 1090 OD1 ASN A 68 2.128 -8.102 12.571 1.00 0.00 O ATOM 1091 ND2 ASN A 68 1.325 -9.694 11.280 1.00 0.00 N ATOM 0 H ASN A 68 -0.777 -8.771 9.687 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.260 -9.596 12.408 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.079 -7.216 10.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.247 -7.250 12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.205 -10.209 11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.533 -10.059 10.750 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.053 -7.460 10.868 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.211 -6.717 10.935 1.00 0.00 C ATOM 1100 C ALA A 69 -5.390 -7.561 11.266 1.00 0.00 C ATOM 1101 O ALA A 69 -5.584 -8.660 10.747 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.445 -5.957 9.679 1.00 0.00 C ATOM 0 H ALA A 69 -2.645 -7.519 9.935 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.079 -5.999 11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.367 -5.382 9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.610 -5.279 9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.530 -6.652 8.844 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.154 -7.019 12.120 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.360 -7.601 12.594 1.00 0.00 C ATOM 1110 C LYS A 70 -8.455 -7.071 11.717 1.00 0.00 C ATOM 1111 O LYS A 70 -9.500 -7.681 11.529 1.00 0.00 O ATOM 1112 CB LYS A 70 -7.618 -7.179 14.062 1.00 0.00 C ATOM 1113 CG LYS A 70 -6.558 -7.533 15.063 1.00 0.00 C ATOM 1114 CD LYS A 70 -5.392 -6.566 14.944 1.00 0.00 C ATOM 1115 CE LYS A 70 -4.363 -6.812 15.965 1.00 0.00 C ATOM 1116 NZ LYS A 70 -3.672 -8.103 15.761 1.00 0.00 N ATOM 0 H LYS A 70 -5.956 -6.109 12.537 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.310 -8.689 12.563 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.760 -6.099 14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.556 -7.631 14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.971 -7.497 16.071 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.214 -8.554 14.896 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.947 -6.655 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.758 -5.544 15.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.632 -6.003 15.944 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.824 -6.800 16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.761 -8.092 16.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.262 -8.875 16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.506 -8.251 14.745 1.00 0.00 H new ATOM 1130 N LYS A 71 -8.160 -5.945 11.130 1.00 0.00 N ATOM 1131 CA LYS A 71 -9.073 -5.270 10.275 1.00 0.00 C ATOM 1132 C LYS A 71 -8.323 -4.757 9.137 1.00 0.00 C ATOM 1133 O LYS A 71 -7.438 -3.940 9.309 1.00 0.00 O ATOM 1134 CB LYS A 71 -9.647 -4.051 10.929 1.00 0.00 C ATOM 1135 CG LYS A 71 -11.113 -3.827 10.645 1.00 0.00 C ATOM 1136 CD LYS A 71 -11.407 -3.719 9.167 1.00 0.00 C ATOM 1137 CE LYS A 71 -12.890 -3.533 8.887 1.00 0.00 C ATOM 1138 NZ LYS A 71 -13.685 -4.704 9.312 1.00 0.00 N ATOM 0 H LYS A 71 -7.264 -5.470 11.239 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.862 -5.975 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.505 -4.130 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.087 -3.177 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.691 -4.649 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.441 -2.916 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.852 -2.879 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.054 -4.618 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.248 -2.644 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.039 -3.361 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.648 -4.629 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.237 -5.574 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.730 -4.734 10.351 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.594 -5.215 8.019 1.00 0.00 N ATOM 1153 CA ILE A 72 -8.030 -4.583 6.908 1.00 0.00 C ATOM 1154 C ILE A 72 -9.045 -3.740 6.213 1.00 0.00 C ATOM 1155 O ILE A 72 -10.094 -4.211 5.792 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.304 -5.518 5.932 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.229 -6.283 6.668 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.692 -4.733 4.771 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -6.687 -7.595 7.276 1.00 0.00 C ATOM 0 H ILE A 72 -9.195 -6.017 7.828 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.242 -3.943 7.304 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.030 -6.218 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.409 -6.485 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.830 -5.650 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.184 -5.420 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.480 -4.209 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.975 -4.009 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.849 -8.073 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.485 -7.404 7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.057 -8.252 6.488 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.789 -2.496 6.207 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.591 -1.595 5.419 1.00 0.00 C ATOM 1173 C GLU A 73 -8.829 -1.074 4.269 1.00 0.00 C ATOM 1174 O GLU A 73 -7.602 -1.076 4.256 1.00 0.00 O ATOM 1175 CB GLU A 73 -10.157 -0.445 6.174 1.00 0.00 C ATOM 1176 CG GLU A 73 -11.407 -0.741 6.956 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.882 0.429 7.764 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -11.316 0.704 8.837 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.832 1.105 7.347 1.00 0.00 O ATOM 0 H GLU A 73 -8.034 -2.056 6.733 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.432 -2.203 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.397 -0.074 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.370 0.360 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.196 -1.045 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.222 -1.584 7.621 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.545 -0.617 3.320 1.00 0.00 N ATOM 1187 CA VAL A 74 -8.990 -0.099 2.117 1.00 0.00 C ATOM 1188 C VAL A 74 -9.693 1.194 1.767 1.00 0.00 C ATOM 1189 O VAL A 74 -10.879 1.306 1.946 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.148 -1.126 0.968 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.291 -2.343 1.201 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -10.588 -1.572 0.914 1.00 0.00 C ATOM 0 H VAL A 74 -10.564 -0.588 3.350 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.926 0.093 2.259 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.841 -0.649 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.424 -3.045 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.244 -2.045 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.584 -2.821 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.715 -2.296 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.862 -2.033 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.229 -0.710 0.731 1.00 0.00 H new ATOM 1202 N GLU A 75 -8.976 2.155 1.297 1.00 0.00 N ATOM 1203 CA GLU A 75 -9.579 3.432 0.990 1.00 0.00 C ATOM 1204 C GLU A 75 -9.225 3.805 -0.404 1.00 0.00 C ATOM 1205 O GLU A 75 -8.078 4.119 -0.695 1.00 0.00 O ATOM 1206 CB GLU A 75 -9.091 4.484 1.961 1.00 0.00 C ATOM 1207 CG GLU A 75 -9.866 5.780 1.964 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.359 6.726 3.018 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -8.360 7.415 2.787 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -9.949 6.792 4.118 1.00 0.00 O ATOM 0 H GLU A 75 -7.975 2.095 1.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.663 3.362 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.116 4.064 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.048 4.706 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.791 6.252 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.922 5.573 2.138 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.166 3.698 -1.271 1.00 0.00 N ATOM 1218 CA PHE A 76 -9.935 4.034 -2.638 1.00 0.00 C ATOM 1219 C PHE A 76 -9.799 5.519 -2.806 1.00 0.00 C ATOM 1220 O PHE A 76 -10.541 6.292 -2.194 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.008 3.476 -3.522 1.00 0.00 C ATOM 1222 CG PHE A 76 -10.937 1.989 -3.696 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.574 1.113 -2.826 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.210 1.468 -4.742 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.475 -0.244 -3.017 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -10.110 0.122 -4.935 1.00 0.00 C ATOM 1227 CZ PHE A 76 -10.741 -0.742 -4.072 1.00 0.00 C ATOM 0 H PHE A 76 -11.112 3.378 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.994 3.578 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.981 3.738 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.942 3.950 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.149 1.500 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.709 2.139 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.973 -0.922 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.536 -0.265 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.662 -1.809 -4.220 1.00 0.00 H new ATOM 1237 N ASP A 77 -8.865 5.909 -3.636 1.00 0.00 N ATOM 1238 CA ASP A 77 -8.572 7.321 -3.811 1.00 0.00 C ATOM 1239 C ASP A 77 -9.412 7.859 -4.960 1.00 0.00 C ATOM 1240 O ASP A 77 -10.333 7.184 -5.444 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.089 7.558 -4.066 1.00 0.00 C ATOM 1242 CG ASP A 77 -6.581 8.997 -3.685 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -6.868 9.943 -4.430 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -5.851 9.186 -2.667 1.00 0.00 O ATOM 0 H ASP A 77 -8.295 5.279 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.824 7.851 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.515 6.823 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.883 7.382 -5.122 1.00 0.00 H new ATOM 1249 N LYS A 78 -9.104 9.017 -5.433 1.00 0.00 N ATOM 1250 CA LYS A 78 -9.925 9.642 -6.429 1.00 0.00 C ATOM 1251 C LYS A 78 -9.284 9.605 -7.788 1.00 0.00 C ATOM 1252 O LYS A 78 -9.811 10.157 -8.765 1.00 0.00 O ATOM 1253 CB LYS A 78 -10.288 11.054 -6.005 1.00 0.00 C ATOM 1254 CG LYS A 78 -9.079 11.983 -5.917 1.00 0.00 C ATOM 1255 CD LYS A 78 -9.396 13.284 -5.207 1.00 0.00 C ATOM 1256 CE LYS A 78 -9.730 13.042 -3.739 1.00 0.00 C ATOM 1257 NZ LYS A 78 -9.852 14.300 -2.993 1.00 0.00 N ATOM 0 H LYS A 78 -8.287 9.558 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.849 9.071 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.005 11.467 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.783 11.019 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.271 11.474 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.718 12.200 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.544 13.960 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.236 13.774 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.664 12.484 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.954 12.425 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.080 14.094 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.953 14.821 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.610 14.878 -3.409 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.199 8.925 -7.868 1.00 0.00 N ATOM 1272 CA GLY A 79 -7.495 8.844 -9.077 1.00 0.00 C ATOM 1273 C GLY A 79 -7.908 7.701 -9.924 1.00 0.00 C ATOM 1274 O GLY A 79 -8.303 7.864 -11.064 1.00 0.00 O ATOM 0 H GLY A 79 -7.781 8.412 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.638 9.770 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.429 8.762 -8.863 1.00 0.00 H new ATOM 1278 N GLN A 80 -7.821 6.542 -9.346 1.00 0.00 N ATOM 1279 CA GLN A 80 -7.994 5.314 -10.033 1.00 0.00 C ATOM 1280 C GLN A 80 -8.427 4.330 -8.999 1.00 0.00 C ATOM 1281 O GLN A 80 -8.291 4.607 -7.817 1.00 0.00 O ATOM 1282 CB GLN A 80 -6.635 4.888 -10.557 1.00 0.00 C ATOM 1283 CG GLN A 80 -6.662 4.064 -11.806 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.074 4.881 -13.019 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -6.735 6.145 -13.003 1.00 0.00 O flip ATOM 1286 NE2 GLN A 80 -7.673 4.371 -13.962 1.00 0.00 N flip ATOM 0 H GLN A 80 -7.621 6.429 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.710 5.387 -10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.039 5.781 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.125 4.321 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.676 3.633 -11.977 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.355 3.233 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.919 3.381 -13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.925 4.937 -14.772 1.00 0.00 H new ATOM 1295 N ARG A 81 -8.954 3.223 -9.407 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.384 2.211 -8.460 1.00 0.00 C ATOM 1297 C ARG A 81 -8.687 0.880 -8.731 1.00 0.00 C ATOM 1298 O ARG A 81 -8.598 0.010 -7.882 1.00 0.00 O ATOM 1299 CB ARG A 81 -10.896 2.072 -8.557 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.631 3.385 -8.312 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.327 3.897 -6.925 1.00 0.00 C ATOM 1302 NE ARG A 81 -12.078 5.102 -6.556 1.00 0.00 N ATOM 1303 CZ ARG A 81 -13.061 5.133 -5.644 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -13.675 4.004 -5.284 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -13.451 6.297 -5.130 1.00 0.00 N ATOM 0 H ARG A 81 -9.103 2.983 -10.387 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.111 2.512 -7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.158 1.694 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.235 1.332 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.330 4.124 -9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.705 3.237 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.545 3.110 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.260 4.110 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.836 5.975 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.397 3.116 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.422 4.029 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.003 7.163 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.198 6.323 -4.436 1.00 0.00 H new ATOM 1319 N THR A 82 -8.137 0.791 -9.886 1.00 0.00 N ATOM 1320 CA THR A 82 -7.499 -0.385 -10.411 1.00 0.00 C ATOM 1321 C THR A 82 -6.274 0.002 -11.278 1.00 0.00 C ATOM 1322 O THR A 82 -6.381 0.812 -12.197 1.00 0.00 O ATOM 1323 CB THR A 82 -8.493 -1.255 -11.215 1.00 0.00 C ATOM 1324 OG1 THR A 82 -9.252 -0.451 -12.131 1.00 0.00 O ATOM 1325 CG2 THR A 82 -9.433 -2.035 -10.304 1.00 0.00 C ATOM 0 H THR A 82 -8.113 1.576 -10.537 1.00 0.00 H new ATOM 0 HA THR A 82 -7.149 -0.981 -9.568 1.00 0.00 H new ATOM 0 HB THR A 82 -7.901 -1.975 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.685 0.267 -12.483 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.114 -2.633 -10.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.851 -2.692 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.007 -1.339 -9.692 1.00 0.00 H new ATOM 1333 N ASP A 83 -5.123 -0.560 -10.953 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.863 -0.201 -11.575 1.00 0.00 C ATOM 1335 C ASP A 83 -3.285 -1.262 -12.594 1.00 0.00 C ATOM 1336 O ASP A 83 -3.947 -1.548 -13.575 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.905 0.223 -10.454 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.486 0.532 -10.822 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -1.205 1.598 -11.299 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -0.620 -0.331 -10.561 1.00 0.00 O ATOM 0 H ASP A 83 -5.037 -1.286 -10.242 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.022 0.641 -12.249 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.325 1.106 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.891 -0.572 -9.708 1.00 0.00 H new ATOM 1345 N LYS A 84 -2.089 -1.861 -12.295 1.00 0.00 N ATOM 1346 CA LYS A 84 -1.291 -2.782 -13.197 1.00 0.00 C ATOM 1347 C LYS A 84 -2.133 -3.617 -14.150 1.00 0.00 C ATOM 1348 O LYS A 84 -2.158 -3.390 -15.346 1.00 0.00 O ATOM 1349 CB LYS A 84 -0.399 -3.726 -12.368 1.00 0.00 C ATOM 1350 CG LYS A 84 0.648 -3.040 -11.522 1.00 0.00 C ATOM 1351 CD LYS A 84 1.485 -4.051 -10.755 1.00 0.00 C ATOM 1352 CE LYS A 84 2.638 -3.396 -10.003 1.00 0.00 C ATOM 1353 NZ LYS A 84 2.190 -2.466 -8.927 1.00 0.00 N ATOM 0 H LYS A 84 -1.633 -1.717 -11.394 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.686 -2.113 -13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.036 -4.323 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.100 -4.418 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.295 -2.437 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.164 -2.359 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.849 -4.584 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.881 -4.792 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.264 -4.173 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.259 -2.848 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.971 -2.307 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.905 -1.559 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.382 -2.883 -8.422 1.00 0.00 H new ATOM 1367 N TYR A 85 -2.810 -4.574 -13.603 1.00 0.00 N ATOM 1368 CA TYR A 85 -3.698 -5.440 -14.360 1.00 0.00 C ATOM 1369 C TYR A 85 -5.069 -5.161 -13.837 1.00 0.00 C ATOM 1370 O TYR A 85 -5.982 -5.982 -13.886 1.00 0.00 O ATOM 1371 CB TYR A 85 -3.338 -6.912 -14.127 1.00 0.00 C ATOM 1372 CG TYR A 85 -1.941 -7.305 -14.567 1.00 0.00 C ATOM 1373 CD1 TYR A 85 -0.856 -7.140 -13.722 1.00 0.00 C ATOM 1374 CD2 TYR A 85 -1.716 -7.860 -15.821 1.00 0.00 C ATOM 1375 CE1 TYR A 85 0.414 -7.515 -14.106 1.00 0.00 C ATOM 1376 CE2 TYR A 85 -0.446 -8.246 -16.212 1.00 0.00 C ATOM 1377 CZ TYR A 85 0.614 -8.070 -15.349 1.00 0.00 C ATOM 1378 OH TYR A 85 1.888 -8.475 -15.722 1.00 0.00 O ATOM 0 H TYR A 85 -2.772 -4.791 -12.607 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.623 -5.254 -15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.444 -7.133 -13.065 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.059 -7.535 -14.656 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.008 -6.709 -12.743 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.545 -7.992 -16.501 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.248 -7.374 -13.434 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.287 -8.682 -17.187 1.00 0.00 H new ATOM 0 HH TYR A 85 1.861 -8.847 -16.628 1.00 0.00 H new ATOM 1388 N GLY A 86 -5.209 -3.953 -13.374 1.00 0.00 N ATOM 1389 CA GLY A 86 -6.373 -3.543 -12.708 1.00 0.00 C ATOM 1390 C GLY A 86 -6.361 -4.021 -11.291 1.00 0.00 C ATOM 1391 O GLY A 86 -7.357 -4.478 -10.766 1.00 0.00 O ATOM 0 H GLY A 86 -4.497 -3.227 -13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.448 -2.456 -12.731 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.251 -3.934 -13.223 1.00 0.00 H new ATOM 1395 N ARG A 87 -5.189 -3.947 -10.688 1.00 0.00 N ATOM 1396 CA ARG A 87 -5.028 -4.264 -9.283 1.00 0.00 C ATOM 1397 C ARG A 87 -5.683 -3.141 -8.513 1.00 0.00 C ATOM 1398 O ARG A 87 -5.675 -2.063 -8.976 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.546 -4.357 -8.931 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.772 -5.353 -9.787 1.00 0.00 C ATOM 1401 CD ARG A 87 -3.367 -6.737 -9.655 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.687 -7.742 -10.463 1.00 0.00 N ATOM 1403 CZ ARG A 87 -3.270 -8.863 -10.927 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -4.578 -9.050 -10.769 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -2.550 -9.783 -11.543 1.00 0.00 N ATOM 0 H ARG A 87 -4.327 -3.667 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.483 -5.224 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.094 -3.371 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.448 -4.640 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.794 -5.039 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.726 -5.369 -9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.333 -7.040 -8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.418 -6.701 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.705 -7.585 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.141 -8.343 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.018 -9.900 -11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.547 -9.646 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.997 -10.631 -11.893 1.00 0.00 H new ATOM 1419 N GLY A 88 -6.127 -3.357 -7.340 1.00 0.00 N ATOM 1420 CA GLY A 88 -6.967 -2.379 -6.742 1.00 0.00 C ATOM 1421 C GLY A 88 -6.211 -1.389 -6.026 1.00 0.00 C ATOM 1422 O GLY A 88 -5.677 -1.605 -4.953 1.00 0.00 O ATOM 0 H GLY A 88 -5.933 -4.184 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.564 -1.892 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.664 -2.867 -6.060 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.185 -0.333 -6.632 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.398 0.734 -6.364 1.00 0.00 C ATOM 1428 C LEU A 89 -6.120 1.601 -5.347 1.00 0.00 C ATOM 1429 O LEU A 89 -7.120 2.246 -5.655 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.213 1.310 -7.768 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.381 2.536 -8.025 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.018 3.777 -7.475 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -3.006 2.281 -7.468 1.00 0.00 C ATOM 0 H LEU A 89 -6.792 -0.167 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.426 0.569 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.795 0.512 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.210 1.520 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.305 2.721 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.381 4.636 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.992 3.924 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.145 3.674 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.376 3.154 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.077 2.089 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.568 1.415 -7.964 1.00 0.00 H new ATOM 1445 N ALA A 90 -5.635 1.538 -4.120 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.265 2.181 -3.002 1.00 0.00 C ATOM 1447 C ALA A 90 -5.315 2.198 -1.835 1.00 0.00 C ATOM 1448 O ALA A 90 -4.204 1.630 -1.905 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.500 1.390 -2.595 1.00 0.00 C ATOM 0 H ALA A 90 -4.783 1.031 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.540 3.198 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.980 1.876 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.198 1.348 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.208 0.378 -2.316 1.00 0.00 H new ATOM 1455 N TYR A 91 -5.720 2.859 -0.793 1.00 0.00 N ATOM 1456 CA TYR A 91 -5.005 2.834 0.431 1.00 0.00 C ATOM 1457 C TYR A 91 -5.324 1.620 1.148 1.00 0.00 C ATOM 1458 O TYR A 91 -6.445 1.114 1.073 1.00 0.00 O ATOM 1459 CB TYR A 91 -5.342 3.988 1.307 1.00 0.00 C ATOM 1460 CG TYR A 91 -4.844 5.225 0.773 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -3.509 5.432 0.762 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -5.681 6.174 0.256 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -2.978 6.544 0.262 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -5.184 7.322 -0.258 1.00 0.00 C ATOM 1465 CZ TYR A 91 -3.827 7.528 -0.262 1.00 0.00 C ATOM 1466 OH TYR A 91 -3.334 8.695 -0.822 1.00 0.00 O ATOM 0 H TYR A 91 -6.563 3.433 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.945 2.886 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.424 4.052 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.923 3.826 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.856 4.675 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.748 6.006 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.907 6.687 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.849 8.071 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.976 9.040 -1.477 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.393 1.166 1.849 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.562 -0.021 2.578 1.00 0.00 C ATOM 1478 C ILE A 92 -4.214 0.179 4.049 1.00 0.00 C ATOM 1479 O ILE A 92 -3.088 0.582 4.421 1.00 0.00 O ATOM 1480 CB ILE A 92 -3.792 -1.173 1.931 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -3.915 -2.437 2.753 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.368 -0.774 1.703 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.393 -3.682 2.065 1.00 0.00 C ATOM 0 H ILE A 92 -3.476 1.602 1.944 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.616 -0.298 2.551 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.231 -1.393 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.375 -2.301 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.964 -2.590 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.828 -1.601 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.334 0.094 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.903 -0.524 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.519 -4.542 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.948 -3.847 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.335 -3.554 1.834 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.187 -0.074 4.862 1.00 0.00 N ATOM 1496 CA TYR A 93 -5.103 0.110 6.267 1.00 0.00 C ATOM 1497 C TYR A 93 -5.151 -1.227 6.965 1.00 0.00 C ATOM 1498 O TYR A 93 -6.153 -1.966 6.895 1.00 0.00 O ATOM 1499 CB TYR A 93 -6.214 1.036 6.759 1.00 0.00 C ATOM 1500 CG TYR A 93 -6.154 2.439 6.176 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -5.409 3.434 6.791 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -6.850 2.771 5.020 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -5.363 4.710 6.276 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -6.801 4.040 4.506 1.00 0.00 C ATOM 1505 CZ TYR A 93 -6.063 5.005 5.135 1.00 0.00 C ATOM 1506 OH TYR A 93 -6.025 6.272 4.620 1.00 0.00 O ATOM 0 H TYR A 93 -6.092 -0.427 4.551 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.152 0.586 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.179 0.592 6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.162 1.103 7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.855 3.204 7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.439 2.017 4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.779 5.474 6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.345 4.279 3.604 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.823 6.427 4.073 1.00 0.00 H new ATOM 1516 N ALA A 94 -4.116 -1.472 7.710 1.00 0.00 N ATOM 1517 CA ALA A 94 -3.851 -2.725 8.352 1.00 0.00 C ATOM 1518 C ALA A 94 -4.063 -2.465 9.772 1.00 0.00 C ATOM 1519 O ALA A 94 -3.248 -1.814 10.424 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.413 -3.182 8.109 1.00 0.00 C ATOM 0 H ALA A 94 -3.399 -0.771 7.896 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.493 -3.517 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.245 -4.136 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.244 -3.299 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.723 -2.437 8.505 1.00 0.00 H new ATOM 1526 N ASP A 95 -5.250 -2.787 10.196 1.00 0.00 N ATOM 1527 CA ASP A 95 -5.747 -2.530 11.539 1.00 0.00 C ATOM 1528 C ASP A 95 -5.852 -1.014 11.724 1.00 0.00 C ATOM 1529 O ASP A 95 -6.030 -0.474 12.815 1.00 0.00 O ATOM 1530 CB ASP A 95 -4.882 -3.234 12.611 1.00 0.00 C ATOM 1531 CG ASP A 95 -5.388 -3.065 14.023 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -6.509 -3.532 14.320 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -4.646 -2.518 14.871 1.00 0.00 O ATOM 0 H ASP A 95 -5.934 -3.255 9.601 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.741 -2.958 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -4.832 -4.298 12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.865 -2.847 12.553 1.00 0.00 H new ATOM 1538 N GLY A 96 -5.793 -0.349 10.597 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.861 1.040 10.549 1.00 0.00 C ATOM 1540 C GLY A 96 -4.571 1.697 10.193 1.00 0.00 C ATOM 1541 O GLY A 96 -4.533 2.883 9.885 1.00 0.00 O ATOM 0 H GLY A 96 -5.694 -0.793 9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.619 1.332 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.191 1.411 11.519 1.00 0.00 H new ATOM 1545 N LYS A 97 -3.521 0.950 10.235 1.00 0.00 N ATOM 1546 CA LYS A 97 -2.215 1.481 9.954 1.00 0.00 C ATOM 1547 C LYS A 97 -1.973 1.361 8.470 1.00 0.00 C ATOM 1548 O LYS A 97 -2.133 0.294 7.905 1.00 0.00 O ATOM 1549 CB LYS A 97 -1.228 0.673 10.737 1.00 0.00 C ATOM 1550 CG LYS A 97 -1.552 0.671 12.233 1.00 0.00 C ATOM 1551 CD LYS A 97 -1.326 -0.690 12.871 1.00 0.00 C ATOM 1552 CE LYS A 97 0.141 -1.082 12.929 1.00 0.00 C ATOM 1553 NZ LYS A 97 0.907 -0.190 13.813 1.00 0.00 N ATOM 0 H LYS A 97 -3.535 -0.044 10.464 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.121 2.530 10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.221 -0.352 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.226 1.074 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.933 1.413 12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.590 0.970 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.735 -0.684 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.876 -1.445 12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.230 -2.109 13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.566 -1.053 11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.840 -0.608 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.029 0.734 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.394 -0.065 14.709 1.00 0.00 H new ATOM 1567 N MET A 98 -1.604 2.431 7.851 1.00 0.00 N ATOM 1568 CA MET A 98 -1.461 2.479 6.426 1.00 0.00 C ATOM 1569 C MET A 98 -0.217 1.761 5.951 1.00 0.00 C ATOM 1570 O MET A 98 0.938 2.198 6.183 1.00 0.00 O ATOM 1571 CB MET A 98 -1.594 3.914 5.916 1.00 0.00 C ATOM 1572 CG MET A 98 -1.215 4.140 4.463 1.00 0.00 C ATOM 1573 SD MET A 98 -2.011 5.590 3.757 1.00 0.00 S ATOM 1574 CE MET A 98 -1.622 6.846 4.969 1.00 0.00 C ATOM 0 H MET A 98 -1.389 3.310 8.321 1.00 0.00 H new ATOM 0 HA MET A 98 -2.283 1.922 5.977 1.00 0.00 H new ATOM 0 HB2 MET A 98 -2.626 4.234 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 98 -0.973 4.559 6.538 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.133 4.251 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 98 -1.487 3.261 3.879 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.676 7.830 4.503 1.00 0.00 H new ATOM 0 HE2 MET A 98 -2.337 6.793 5.790 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.615 6.681 5.353 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.470 0.654 5.290 1.00 0.00 N ATOM 1585 CA VAL A 99 0.559 -0.244 4.792 1.00 0.00 C ATOM 1586 C VAL A 99 1.393 0.449 3.752 1.00 0.00 C ATOM 1587 O VAL A 99 2.592 0.235 3.668 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.070 -1.514 4.173 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.978 -2.461 3.655 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -0.976 -2.212 5.155 1.00 0.00 C ATOM 0 H VAL A 99 -1.417 0.342 5.076 1.00 0.00 H new ATOM 0 HA VAL A 99 1.187 -0.534 5.634 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.672 -1.189 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.495 -3.340 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.570 -1.964 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.629 -2.766 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.402 -3.100 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.403 -2.503 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.779 -1.538 5.452 1.00 0.00 H new ATOM 1600 N ASN A 100 0.753 1.334 2.999 1.00 0.00 N ATOM 1601 CA ASN A 100 1.434 2.056 1.926 1.00 0.00 C ATOM 1602 C ASN A 100 2.596 2.846 2.565 1.00 0.00 C ATOM 1603 O ASN A 100 3.823 2.697 2.210 1.00 0.00 O ATOM 1604 CB ASN A 100 0.470 3.052 1.220 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.899 2.512 0.865 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.800 2.458 1.706 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -1.093 2.200 -0.359 1.00 0.00 N ATOM 0 H ASN A 100 -0.233 1.570 3.109 1.00 0.00 H new ATOM 0 HA ASN A 100 1.792 1.348 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.340 3.920 1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.948 3.403 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.016 1.895 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.325 2.256 -1.028 1.00 0.00 H new ATOM 1614 N GLU A 101 2.195 3.578 3.602 1.00 0.00 N ATOM 1615 CA GLU A 101 3.058 4.396 4.413 1.00 0.00 C ATOM 1616 C GLU A 101 4.109 3.542 4.990 1.00 0.00 C ATOM 1617 O GLU A 101 5.255 3.764 4.776 1.00 0.00 O ATOM 1618 CB GLU A 101 2.278 4.977 5.584 1.00 0.00 C ATOM 1619 CG GLU A 101 3.098 5.879 6.503 1.00 0.00 C ATOM 1620 CD GLU A 101 2.348 6.356 7.716 1.00 0.00 C ATOM 1621 OE1 GLU A 101 1.624 5.548 8.359 1.00 0.00 O ATOM 1622 OE2 GLU A 101 2.487 7.537 8.061 1.00 0.00 O ATOM 0 H GLU A 101 1.221 3.611 3.902 1.00 0.00 H new ATOM 0 HA GLU A 101 3.471 5.192 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.434 5.546 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.866 4.157 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.987 5.339 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.440 6.745 5.936 1.00 0.00 H new ATOM 1629 N ALA A 102 3.685 2.536 5.696 1.00 0.00 N ATOM 1630 CA ALA A 102 4.585 1.680 6.398 1.00 0.00 C ATOM 1631 C ALA A 102 5.607 1.003 5.476 1.00 0.00 C ATOM 1632 O ALA A 102 6.790 0.875 5.838 1.00 0.00 O ATOM 1633 CB ALA A 102 3.806 0.703 7.199 1.00 0.00 C ATOM 0 H ALA A 102 2.701 2.288 5.799 1.00 0.00 H new ATOM 0 HA ALA A 102 5.183 2.291 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.490 0.047 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.178 1.236 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.178 0.108 6.536 1.00 0.00 H new ATOM 1639 N LEU A 103 5.199 0.682 4.254 1.00 0.00 N ATOM 1640 CA LEU A 103 6.095 0.021 3.350 1.00 0.00 C ATOM 1641 C LEU A 103 7.118 1.029 2.881 1.00 0.00 C ATOM 1642 O LEU A 103 8.329 0.760 2.882 1.00 0.00 O ATOM 1643 CB LEU A 103 5.370 -0.554 2.145 1.00 0.00 C ATOM 1644 CG LEU A 103 6.136 -1.650 1.426 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.210 -2.884 2.297 1.00 0.00 C ATOM 1646 CD2 LEU A 103 5.518 -1.971 0.094 1.00 0.00 C ATOM 0 H LEU A 103 4.268 0.870 3.883 1.00 0.00 H new ATOM 0 HA LEU A 103 6.566 -0.810 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.408 -0.950 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.163 0.252 1.441 1.00 0.00 H new ATOM 0 HG LEU A 103 7.147 -1.291 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.761 -3.666 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.721 -2.641 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.202 -3.235 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.092 -2.759 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.492 -2.307 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.522 -1.079 -0.533 1.00 0.00 H new ATOM 1658 N VAL A 104 6.649 2.231 2.527 1.00 0.00 N ATOM 1659 CA VAL A 104 7.597 3.273 2.109 1.00 0.00 C ATOM 1660 C VAL A 104 8.419 3.785 3.322 1.00 0.00 C ATOM 1661 O VAL A 104 9.553 4.235 3.191 1.00 0.00 O ATOM 1662 CB VAL A 104 6.893 4.448 1.360 1.00 0.00 C ATOM 1663 CG1 VAL A 104 5.994 5.225 2.232 1.00 0.00 C ATOM 1664 CG2 VAL A 104 7.864 5.348 0.648 1.00 0.00 C ATOM 0 H VAL A 104 5.665 2.501 2.520 1.00 0.00 H new ATOM 0 HA VAL A 104 8.286 2.819 1.396 1.00 0.00 H new ATOM 0 HB VAL A 104 6.273 3.973 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.533 6.028 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.217 4.571 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.566 5.651 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.318 6.146 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.556 5.781 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.422 4.770 -0.089 1.00 0.00 H new ATOM 1674 N ARG A 105 7.858 3.595 4.498 1.00 0.00 N ATOM 1675 CA ARG A 105 8.422 4.036 5.760 1.00 0.00 C ATOM 1676 C ARG A 105 9.507 3.104 6.128 1.00 0.00 C ATOM 1677 O ARG A 105 10.423 3.474 6.806 1.00 0.00 O ATOM 1678 CB ARG A 105 7.342 3.966 6.838 1.00 0.00 C ATOM 1679 CG ARG A 105 7.690 4.514 8.201 1.00 0.00 C ATOM 1680 CD ARG A 105 7.929 6.004 8.163 1.00 0.00 C ATOM 1681 NE ARG A 105 7.983 6.554 9.520 1.00 0.00 N ATOM 1682 CZ ARG A 105 7.190 7.509 10.031 1.00 0.00 C ATOM 1683 NH1 ARG A 105 6.232 8.074 9.303 1.00 0.00 N ATOM 1684 NH2 ARG A 105 7.363 7.894 11.287 1.00 0.00 N ATOM 0 H ARG A 105 6.966 3.113 4.607 1.00 0.00 H new ATOM 0 HA ARG A 105 8.797 5.056 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.465 4.501 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.052 2.922 6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.882 4.293 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.582 4.013 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.863 6.214 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.133 6.491 7.599 1.00 0.00 H new ATOM 0 HE ARG A 105 8.697 6.172 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.088 7.784 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.641 8.798 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.093 7.466 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.766 8.619 11.685 1.00 0.00 H new ATOM 1698 N GLN A 106 9.340 1.871 5.715 1.00 0.00 N ATOM 1699 CA GLN A 106 10.281 0.837 5.949 1.00 0.00 C ATOM 1700 C GLN A 106 11.483 0.896 5.019 1.00 0.00 C ATOM 1701 O GLN A 106 12.476 0.223 5.259 1.00 0.00 O ATOM 1702 CB GLN A 106 9.626 -0.504 5.736 1.00 0.00 C ATOM 1703 CG GLN A 106 9.615 -1.391 6.959 1.00 0.00 C ATOM 1704 CD GLN A 106 11.009 -1.706 7.472 1.00 0.00 C ATOM 1705 OE1 GLN A 106 11.633 -2.687 7.057 1.00 0.00 O ATOM 1706 NE2 GLN A 106 11.497 -0.902 8.379 1.00 0.00 N ATOM 0 H GLN A 106 8.518 1.565 5.194 1.00 0.00 H new ATOM 0 HA GLN A 106 10.625 0.973 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.599 -0.346 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.143 -1.024 4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.044 -0.905 7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.101 -2.323 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.951 -0.101 8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.424 -1.075 8.769 1.00 0.00 H new ATOM 1715 N GLY A 107 11.413 1.660 3.963 1.00 0.00 N ATOM 1716 CA GLY A 107 12.491 1.586 3.011 1.00 0.00 C ATOM 1717 C GLY A 107 12.248 0.428 2.057 1.00 0.00 C ATOM 1718 O GLY A 107 13.172 -0.124 1.484 1.00 0.00 O ATOM 0 H GLY A 107 10.660 2.312 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.563 2.520 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.440 1.450 3.530 1.00 0.00 H new ATOM 1722 N LEU A 108 10.998 0.032 1.958 1.00 0.00 N ATOM 1723 CA LEU A 108 10.564 -1.096 1.132 1.00 0.00 C ATOM 1724 C LEU A 108 9.785 -0.589 -0.066 1.00 0.00 C ATOM 1725 O LEU A 108 9.220 -1.360 -0.852 1.00 0.00 O ATOM 1726 CB LEU A 108 9.692 -2.025 1.993 1.00 0.00 C ATOM 1727 CG LEU A 108 10.353 -3.249 2.668 1.00 0.00 C ATOM 1728 CD1 LEU A 108 11.815 -3.095 2.909 1.00 0.00 C ATOM 1729 CD2 LEU A 108 9.647 -3.604 3.953 1.00 0.00 C ATOM 0 H LEU A 108 10.233 0.488 2.455 1.00 0.00 H new ATOM 0 HA LEU A 108 11.429 -1.648 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.239 -1.419 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.880 -2.392 1.365 1.00 0.00 H new ATOM 0 HG LEU A 108 10.247 -4.066 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.202 -3.996 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.326 -2.938 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.988 -2.238 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.132 -4.468 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.694 -2.759 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.605 -3.842 3.742 1.00 0.00 H new ATOM 1741 N ALA A 109 9.768 0.704 -0.191 1.00 0.00 N ATOM 1742 CA ALA A 109 9.082 1.389 -1.235 1.00 0.00 C ATOM 1743 C ALA A 109 9.565 2.778 -1.269 1.00 0.00 C ATOM 1744 O ALA A 109 10.201 3.251 -0.318 1.00 0.00 O ATOM 1745 CB ALA A 109 7.585 1.384 -0.983 1.00 0.00 C ATOM 0 H ALA A 109 10.249 1.329 0.456 1.00 0.00 H new ATOM 0 HA ALA A 109 9.273 0.890 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.078 1.912 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.227 0.355 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.374 1.881 -0.036 1.00 0.00 H new ATOM 1751 N LYS A 110 9.303 3.403 -2.349 1.00 0.00 N ATOM 1752 CA LYS A 110 9.570 4.783 -2.530 1.00 0.00 C ATOM 1753 C LYS A 110 8.235 5.427 -2.717 1.00 0.00 C ATOM 1754 O LYS A 110 7.239 4.709 -2.938 1.00 0.00 O ATOM 1755 CB LYS A 110 10.486 5.052 -3.748 1.00 0.00 C ATOM 1756 CG LYS A 110 11.865 4.406 -3.649 1.00 0.00 C ATOM 1757 CD LYS A 110 12.912 4.982 -4.633 1.00 0.00 C ATOM 1758 CE LYS A 110 12.757 4.559 -6.096 1.00 0.00 C ATOM 1759 NZ LYS A 110 11.534 5.048 -6.737 1.00 0.00 N ATOM 0 H LYS A 110 8.882 2.957 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 110 10.106 5.187 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.991 4.688 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.609 6.129 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.237 4.525 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.765 3.336 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.869 6.070 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.904 4.686 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.618 4.919 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.772 3.471 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.710 5.200 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.776 4.346 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.246 5.945 -6.297 1.00 0.00 H new ATOM 1773 N VAL A 111 8.160 6.714 -2.605 1.00 0.00 N ATOM 1774 CA VAL A 111 6.903 7.356 -2.795 1.00 0.00 C ATOM 1775 C VAL A 111 6.655 7.506 -4.267 1.00 0.00 C ATOM 1776 O VAL A 111 7.476 8.056 -5.010 1.00 0.00 O ATOM 1777 CB VAL A 111 6.738 8.707 -2.027 1.00 0.00 C ATOM 1778 CG1 VAL A 111 7.812 9.702 -2.381 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.357 9.308 -2.272 1.00 0.00 C ATOM 0 H VAL A 111 8.942 7.332 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 111 6.141 6.716 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 111 6.841 8.480 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.653 10.624 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.789 9.288 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.773 9.915 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.267 10.248 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.225 9.493 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.591 8.613 -1.927 1.00 0.00 H new ATOM 1789 N ALA A 112 5.598 6.937 -4.691 1.00 0.00 N ATOM 1790 CA ALA A 112 5.225 6.976 -6.061 1.00 0.00 C ATOM 1791 C ALA A 112 4.240 8.101 -6.306 1.00 0.00 C ATOM 1792 O ALA A 112 4.036 8.981 -5.462 1.00 0.00 O ATOM 1793 CB ALA A 112 4.619 5.637 -6.470 1.00 0.00 C ATOM 0 H ALA A 112 4.952 6.421 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 112 6.113 7.160 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.335 5.672 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.352 4.845 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.737 5.436 -5.862 1.00 0.00 H new ATOM 1799 N TYR A 113 3.648 8.050 -7.444 1.00 0.00 N ATOM 1800 CA TYR A 113 2.646 8.972 -7.891 1.00 0.00 C ATOM 1801 C TYR A 113 1.980 8.270 -9.033 1.00 0.00 C ATOM 1802 O TYR A 113 2.374 8.383 -10.198 1.00 0.00 O ATOM 1803 CB TYR A 113 3.228 10.342 -8.313 1.00 0.00 C ATOM 1804 CG TYR A 113 2.189 11.459 -8.500 1.00 0.00 C ATOM 1805 CD1 TYR A 113 0.844 11.281 -8.168 1.00 0.00 C ATOM 1806 CD2 TYR A 113 2.570 12.702 -8.985 1.00 0.00 C ATOM 1807 CE1 TYR A 113 -0.066 12.294 -8.313 1.00 0.00 C ATOM 1808 CE2 TYR A 113 1.652 13.727 -9.136 1.00 0.00 C ATOM 1809 CZ TYR A 113 0.336 13.518 -8.794 1.00 0.00 C ATOM 1810 OH TYR A 113 -0.584 14.544 -8.925 1.00 0.00 O ATOM 0 H TYR A 113 3.855 7.327 -8.133 1.00 0.00 H new ATOM 0 HA TYR A 113 1.949 9.223 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.950 10.660 -7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.775 10.215 -9.247 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.515 10.325 -7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.603 12.873 -9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -1.101 12.131 -8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.967 14.686 -9.520 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.137 15.342 -9.277 1.00 0.00 H new ATOM 1820 N VAL A 114 1.038 7.478 -8.659 1.00 0.00 N ATOM 1821 CA VAL A 114 0.374 6.546 -9.525 1.00 0.00 C ATOM 1822 C VAL A 114 -0.363 7.194 -10.675 1.00 0.00 C ATOM 1823 O VAL A 114 -0.034 6.992 -11.837 1.00 0.00 O ATOM 1824 CB VAL A 114 -0.565 5.623 -8.715 1.00 0.00 C ATOM 1825 CG1 VAL A 114 0.249 4.586 -7.951 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.429 6.425 -7.716 1.00 0.00 C ATOM 0 H VAL A 114 0.688 7.455 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 114 1.162 5.947 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.228 5.128 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.423 3.942 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.822 3.983 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.931 5.091 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.076 5.743 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.781 6.954 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.040 7.145 -8.260 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.317 7.984 -10.347 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.151 8.612 -11.287 1.00 0.00 C ATOM 1838 C TYR A 115 -2.445 9.948 -10.721 1.00 0.00 C ATOM 1839 O TYR A 115 -2.490 10.072 -9.486 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.467 7.818 -11.506 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.275 6.429 -12.043 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -3.114 6.224 -13.401 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.252 5.318 -11.194 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -2.935 4.968 -13.921 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.072 4.047 -11.714 1.00 0.00 C ATOM 1846 CZ TYR A 115 -2.913 3.882 -13.084 1.00 0.00 C ATOM 1847 OH TYR A 115 -2.746 2.624 -13.616 1.00 0.00 O ATOM 0 H TYR A 115 -1.542 8.216 -9.380 1.00 0.00 H new ATOM 0 HA TYR A 115 -1.667 8.672 -12.262 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.001 7.757 -10.558 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.102 8.375 -12.194 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.130 7.073 -14.068 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.375 5.452 -10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.812 4.835 -14.986 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.055 3.189 -11.058 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.227 2.072 -12.994 1.00 0.00 H new ATOM 1857 N LYS A 116 -2.600 10.933 -11.555 1.00 0.00 N ATOM 1858 CA LYS A 116 -2.900 12.272 -11.112 1.00 0.00 C ATOM 1859 C LYS A 116 -4.298 12.243 -10.536 1.00 0.00 C ATOM 1860 O LYS A 116 -5.297 12.212 -11.251 1.00 0.00 O ATOM 1861 CB LYS A 116 -2.783 13.253 -12.292 1.00 0.00 C ATOM 1862 CG LYS A 116 -2.483 14.736 -11.980 1.00 0.00 C ATOM 1863 CD LYS A 116 -3.578 15.511 -11.231 1.00 0.00 C ATOM 1864 CE LYS A 116 -3.520 15.319 -9.726 1.00 0.00 C ATOM 1865 NZ LYS A 116 -4.516 16.138 -9.024 1.00 0.00 N ATOM 0 H LYS A 116 -2.523 10.835 -12.567 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.197 12.613 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.998 12.886 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.717 13.213 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.567 14.783 -11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.283 15.250 -12.921 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.485 16.573 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.555 15.191 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.684 14.268 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.523 15.575 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.440 15.975 -8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.345 17.143 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.470 15.877 -9.346 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.325 12.168 -9.251 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.517 12.065 -8.514 1.00 0.00 C ATOM 1881 C GLY A 117 -5.210 11.393 -7.229 1.00 0.00 C ATOM 1882 O GLY A 117 -5.299 12.002 -6.168 1.00 0.00 O ATOM 0 H GLY A 117 -3.485 12.178 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -5.940 13.054 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.261 11.497 -9.072 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.697 10.174 -7.334 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.407 9.379 -6.163 1.00 0.00 C ATOM 1888 C ASN A 118 -3.087 9.785 -5.637 1.00 0.00 C ATOM 1889 O ASN A 118 -2.045 9.337 -6.147 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.334 7.870 -6.422 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.408 7.308 -7.298 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.508 7.018 -6.875 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.102 7.118 -8.553 1.00 0.00 N ATOM 0 H ASN A 118 -4.476 9.720 -8.220 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.229 9.556 -5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.368 7.644 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.366 7.354 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.791 6.721 -9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.174 7.366 -8.895 1.00 0.00 H new ATOM 1900 N ASN A 119 -3.104 10.670 -4.692 1.00 0.00 N ATOM 1901 CA ASN A 119 -1.885 11.139 -4.057 1.00 0.00 C ATOM 1902 C ASN A 119 -2.223 11.954 -2.837 1.00 0.00 C ATOM 1903 O ASN A 119 -1.397 12.717 -2.315 1.00 0.00 O ATOM 1904 CB ASN A 119 -0.986 11.940 -5.037 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.485 13.346 -5.404 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -2.753 13.480 -5.707 1.00 0.00 O flip ATOM 1907 ND2 ASN A 119 -0.684 14.284 -5.533 1.00 0.00 N flip ATOM 0 H ASN A 119 -3.957 11.096 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.309 10.266 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.007 12.031 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -0.877 11.362 -5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.298 14.153 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.007 15.186 -5.882 1.00 0.00 H new ATOM 1914 N THR A 120 -3.386 11.696 -2.310 1.00 0.00 N ATOM 1915 CA THR A 120 -3.929 12.460 -1.223 1.00 0.00 C ATOM 1916 C THR A 120 -3.042 12.389 0.037 1.00 0.00 C ATOM 1917 O THR A 120 -2.955 13.359 0.788 1.00 0.00 O ATOM 1918 CB THR A 120 -5.381 12.021 -0.972 1.00 0.00 C ATOM 1919 OG1 THR A 120 -6.042 11.934 -2.256 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.119 13.036 -0.131 1.00 0.00 C ATOM 0 H THR A 120 -3.992 10.939 -2.627 1.00 0.00 H new ATOM 0 HA THR A 120 -3.940 13.515 -1.495 1.00 0.00 H new ATOM 0 HB THR A 120 -5.380 11.066 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.988 11.014 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.143 12.699 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.617 13.146 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.130 13.997 -0.646 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.354 11.282 0.239 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.398 11.202 1.305 1.00 0.00 C ATOM 1930 C HIS A 121 -0.005 11.015 0.796 1.00 0.00 C ATOM 1931 O HIS A 121 0.870 10.577 1.529 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.762 10.168 2.342 1.00 0.00 C ATOM 1933 CG HIS A 121 -2.728 10.679 3.364 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -4.034 10.291 3.461 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -2.535 11.580 4.355 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -4.592 10.948 4.479 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -3.718 11.749 5.062 1.00 0.00 N ATOM 0 H HIS A 121 -2.444 10.435 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.429 12.166 1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.193 9.299 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.855 9.830 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.605 12.089 4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.622 10.840 4.786 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -3.878 12.362 5.862 1.00 0.00 H new ATOM 1945 N GLU A 122 0.230 11.450 -0.432 1.00 0.00 N ATOM 1946 CA GLU A 122 1.555 11.379 -1.041 1.00 0.00 C ATOM 1947 C GLU A 122 2.577 12.155 -0.215 1.00 0.00 C ATOM 1948 O GLU A 122 3.740 11.761 -0.129 1.00 0.00 O ATOM 1949 CB GLU A 122 1.457 11.854 -2.497 1.00 0.00 C ATOM 1950 CG GLU A 122 2.760 12.176 -3.244 1.00 0.00 C ATOM 1951 CD GLU A 122 3.238 13.587 -2.947 1.00 0.00 C ATOM 1952 OE1 GLU A 122 2.396 14.435 -2.615 1.00 0.00 O ATOM 1953 OE2 GLU A 122 4.451 13.877 -3.037 1.00 0.00 O ATOM 0 H GLU A 122 -0.485 11.860 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 122 1.913 10.350 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.930 11.086 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.833 12.748 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.531 11.461 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.603 12.062 -4.317 1.00 0.00 H new ATOM 1960 N GLN A 123 2.117 13.199 0.458 1.00 0.00 N ATOM 1961 CA GLN A 123 2.988 14.010 1.276 1.00 0.00 C ATOM 1962 C GLN A 123 3.498 13.165 2.479 1.00 0.00 C ATOM 1963 O GLN A 123 4.689 13.190 2.850 1.00 0.00 O ATOM 1964 CB GLN A 123 2.279 15.321 1.732 1.00 0.00 C ATOM 1965 CG GLN A 123 1.184 15.161 2.789 1.00 0.00 C ATOM 1966 CD GLN A 123 -0.061 14.407 2.372 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.650 13.724 3.185 1.00 0.00 O ATOM 1968 NE2 GLN A 123 -0.525 14.551 1.161 1.00 0.00 N ATOM 0 H GLN A 123 1.142 13.500 0.450 1.00 0.00 H new ATOM 0 HA GLN A 123 3.850 14.321 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.035 16.002 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.842 15.798 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.616 14.654 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.884 16.155 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.021 15.127 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.392 14.087 0.888 1.00 0.00 H new ATOM 1977 N LEU A 124 2.608 12.340 3.000 1.00 0.00 N ATOM 1978 CA LEU A 124 2.917 11.457 4.081 1.00 0.00 C ATOM 1979 C LEU A 124 3.865 10.359 3.604 1.00 0.00 C ATOM 1980 O LEU A 124 4.823 9.997 4.303 1.00 0.00 O ATOM 1981 CB LEU A 124 1.595 10.918 4.707 1.00 0.00 C ATOM 1982 CG LEU A 124 1.666 9.632 5.544 1.00 0.00 C ATOM 1983 CD1 LEU A 124 0.529 9.568 6.538 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.567 8.419 4.637 1.00 0.00 C ATOM 0 H LEU A 124 1.644 12.273 2.673 1.00 0.00 H new ATOM 0 HA LEU A 124 3.444 11.988 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.179 11.704 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.886 10.750 3.897 1.00 0.00 H new ATOM 0 HG LEU A 124 2.616 9.637 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.603 8.648 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.584 10.425 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.422 9.585 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.618 7.511 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.620 8.445 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.391 8.430 3.924 1.00 0.00 H new ATOM 1996 N LEU A 125 3.623 9.852 2.409 1.00 0.00 N ATOM 1997 CA LEU A 125 4.473 8.827 1.864 1.00 0.00 C ATOM 1998 C LEU A 125 5.842 9.347 1.518 1.00 0.00 C ATOM 1999 O LEU A 125 6.830 8.660 1.738 1.00 0.00 O ATOM 2000 CB LEU A 125 3.853 8.075 0.701 1.00 0.00 C ATOM 2001 CG LEU A 125 2.768 7.069 1.064 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.369 7.608 0.876 1.00 0.00 C ATOM 2003 CD2 LEU A 125 2.991 5.791 0.333 1.00 0.00 C ATOM 0 H LEU A 125 2.850 10.135 1.807 1.00 0.00 H new ATOM 0 HA LEU A 125 4.589 8.097 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.431 8.802 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.646 7.549 0.169 1.00 0.00 H new ATOM 0 HG LEU A 125 2.848 6.870 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.644 6.842 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.229 8.485 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.223 7.886 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.210 5.079 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.962 5.976 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.964 5.381 0.605 1.00 0.00 H new ATOM 2015 N ARG A 126 5.917 10.565 1.006 1.00 0.00 N ATOM 2016 CA ARG A 126 7.203 11.154 0.733 1.00 0.00 C ATOM 2017 C ARG A 126 7.914 11.466 2.027 1.00 0.00 C ATOM 2018 O ARG A 126 9.129 11.335 2.108 1.00 0.00 O ATOM 2019 CB ARG A 126 7.108 12.370 -0.149 1.00 0.00 C ATOM 2020 CG ARG A 126 6.476 13.533 0.469 1.00 0.00 C ATOM 2021 CD ARG A 126 6.402 14.601 -0.509 1.00 0.00 C ATOM 2022 NE ARG A 126 5.882 15.822 0.091 1.00 0.00 N ATOM 2023 CZ ARG A 126 4.998 16.630 -0.485 1.00 0.00 C ATOM 2024 NH1 ARG A 126 4.444 16.302 -1.644 1.00 0.00 N ATOM 2025 NH2 ARG A 126 4.627 17.741 0.125 1.00 0.00 N ATOM 0 H ARG A 126 5.114 11.151 0.777 1.00 0.00 H new ATOM 0 HA ARG A 126 7.788 10.422 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.112 12.648 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.550 12.106 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.478 13.276 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.049 13.856 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.392 14.788 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.762 14.297 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 126 6.220 16.075 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.696 15.425 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.766 16.927 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.019 17.978 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 126 3.949 18.363 -0.315 1.00 0.00 H new ATOM 2039 N LYS A 127 7.150 11.856 3.061 1.00 0.00 N ATOM 2040 CA LYS A 127 7.742 12.055 4.365 1.00 0.00 C ATOM 2041 C LYS A 127 8.249 10.696 4.900 1.00 0.00 C ATOM 2042 O LYS A 127 9.325 10.626 5.503 1.00 0.00 O ATOM 2043 CB LYS A 127 6.731 12.730 5.335 1.00 0.00 C ATOM 2044 CG LYS A 127 7.340 13.382 6.597 1.00 0.00 C ATOM 2045 CD LYS A 127 7.873 12.377 7.616 1.00 0.00 C ATOM 2046 CE LYS A 127 8.596 13.069 8.763 1.00 0.00 C ATOM 2047 NZ LYS A 127 7.718 14.003 9.489 1.00 0.00 N ATOM 0 H LYS A 127 6.147 12.032 3.009 1.00 0.00 H new ATOM 0 HA LYS A 127 8.592 12.732 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.182 13.494 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.005 11.981 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.151 14.045 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.582 14.003 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.047 11.786 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.554 11.684 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.978 12.319 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.458 13.611 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.200 14.336 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.496 14.816 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.837 13.518 9.752 1.00 0.00 H new ATOM 2061 N ALA A 128 7.509 9.608 4.623 1.00 0.00 N ATOM 2062 CA ALA A 128 7.917 8.297 5.088 1.00 0.00 C ATOM 2063 C ALA A 128 9.177 7.872 4.350 1.00 0.00 C ATOM 2064 O ALA A 128 10.162 7.372 4.974 1.00 0.00 O ATOM 2065 CB ALA A 128 6.799 7.306 4.882 1.00 0.00 C ATOM 0 H ALA A 128 6.641 9.622 4.087 1.00 0.00 H new ATOM 0 HA ALA A 128 8.137 8.333 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.114 6.324 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.920 7.627 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.553 7.250 3.822 1.00 0.00 H new ATOM 2071 N GLU A 129 9.159 8.099 3.035 1.00 0.00 N ATOM 2072 CA GLU A 129 10.294 7.875 2.194 1.00 0.00 C ATOM 2073 C GLU A 129 11.487 8.621 2.762 1.00 0.00 C ATOM 2074 O GLU A 129 12.507 8.016 3.064 1.00 0.00 O ATOM 2075 CB GLU A 129 10.021 8.353 0.761 1.00 0.00 C ATOM 2076 CG GLU A 129 11.184 8.111 -0.176 1.00 0.00 C ATOM 2077 CD GLU A 129 10.997 8.700 -1.554 1.00 0.00 C ATOM 2078 OE1 GLU A 129 11.359 9.877 -1.773 1.00 0.00 O ATOM 2079 OE2 GLU A 129 10.522 7.998 -2.448 1.00 0.00 O ATOM 0 H GLU A 129 8.339 8.447 2.537 1.00 0.00 H new ATOM 0 HA GLU A 129 10.500 6.805 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.139 7.842 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.790 9.418 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.087 8.530 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.344 7.037 -0.270 1.00 0.00 H new ATOM 2086 N ALA A 130 11.318 9.930 2.971 1.00 0.00 N ATOM 2087 CA ALA A 130 12.368 10.776 3.505 1.00 0.00 C ATOM 2088 C ALA A 130 12.846 10.306 4.863 1.00 0.00 C ATOM 2089 O ALA A 130 14.032 10.363 5.151 1.00 0.00 O ATOM 2090 CB ALA A 130 11.965 12.233 3.530 1.00 0.00 C ATOM 0 H ALA A 130 10.448 10.424 2.772 1.00 0.00 H new ATOM 0 HA ALA A 130 13.213 10.688 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 130 12.781 12.829 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.743 12.566 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 130 11.080 12.355 4.154 1.00 0.00 H new ATOM 2096 N GLN A 131 11.934 9.817 5.679 1.00 0.00 N ATOM 2097 CA GLN A 131 12.287 9.245 6.966 1.00 0.00 C ATOM 2098 C GLN A 131 13.195 8.037 6.773 1.00 0.00 C ATOM 2099 O GLN A 131 14.285 7.921 7.403 1.00 0.00 O ATOM 2100 CB GLN A 131 11.025 8.861 7.751 1.00 0.00 C ATOM 2101 CG GLN A 131 11.286 8.257 9.136 1.00 0.00 C ATOM 2102 CD GLN A 131 11.133 6.724 9.220 1.00 0.00 C ATOM 2103 OE1 GLN A 131 11.313 6.016 8.130 1.00 0.00 O flip ATOM 2104 NE2 GLN A 131 10.794 6.193 10.278 1.00 0.00 N flip ATOM 0 H GLN A 131 10.935 9.804 5.473 1.00 0.00 H new ATOM 0 HA GLN A 131 12.828 9.994 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.404 9.749 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.451 8.146 7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.296 8.524 9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.601 8.715 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.659 6.762 11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.648 5.184 10.318 1.00 0.00 H new ATOM 2113 N ALA A 132 12.803 7.178 5.846 1.00 0.00 N ATOM 2114 CA ALA A 132 13.533 5.958 5.615 1.00 0.00 C ATOM 2115 C ALA A 132 14.880 6.313 5.011 1.00 0.00 C ATOM 2116 O ALA A 132 15.890 5.682 5.279 1.00 0.00 O ATOM 2117 CB ALA A 132 12.710 5.045 4.723 1.00 0.00 C ATOM 0 H ALA A 132 11.987 7.308 5.248 1.00 0.00 H new ATOM 0 HA ALA A 132 13.715 5.418 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.258 4.120 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.762 4.817 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.518 5.542 3.772 1.00 0.00 H new ATOM 2123 N LYS A 133 14.870 7.383 4.260 1.00 0.00 N ATOM 2124 CA LYS A 133 16.032 7.959 3.654 1.00 0.00 C ATOM 2125 C LYS A 133 16.999 8.468 4.696 1.00 0.00 C ATOM 2126 O LYS A 133 18.193 8.163 4.651 1.00 0.00 O ATOM 2127 CB LYS A 133 15.591 9.096 2.787 1.00 0.00 C ATOM 2128 CG LYS A 133 15.008 8.679 1.487 1.00 0.00 C ATOM 2129 CD LYS A 133 14.585 9.888 0.672 1.00 0.00 C ATOM 2130 CE LYS A 133 14.444 9.554 -0.787 1.00 0.00 C ATOM 2131 NZ LYS A 133 13.871 10.658 -1.582 1.00 0.00 N ATOM 0 H LYS A 133 14.014 7.895 4.048 1.00 0.00 H new ATOM 0 HA LYS A 133 16.544 7.196 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.854 9.688 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.445 9.746 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.738 8.095 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.148 8.033 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.637 10.269 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.320 10.684 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.423 9.294 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.812 8.672 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.188 10.576 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.833 10.609 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.188 11.568 -1.191 1.00 0.00 H new ATOM 2145 N LYS A 134 16.491 9.262 5.617 1.00 0.00 N ATOM 2146 CA LYS A 134 17.311 9.775 6.696 1.00 0.00 C ATOM 2147 C LYS A 134 17.797 8.698 7.635 1.00 0.00 C ATOM 2148 O LYS A 134 18.866 8.840 8.229 1.00 0.00 O ATOM 2149 CB LYS A 134 16.676 10.968 7.465 1.00 0.00 C ATOM 2150 CG LYS A 134 15.219 10.820 7.904 1.00 0.00 C ATOM 2151 CD LYS A 134 15.007 10.793 9.430 1.00 0.00 C ATOM 2152 CE LYS A 134 15.558 9.536 10.086 1.00 0.00 C ATOM 2153 NZ LYS A 134 15.249 9.466 11.531 1.00 0.00 N ATOM 0 H LYS A 134 15.517 9.565 5.640 1.00 0.00 H new ATOM 0 HA LYS A 134 18.190 10.180 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 134 17.279 11.157 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.751 11.854 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.642 11.644 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.817 9.901 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 134 15.485 11.667 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.941 10.870 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.145 8.659 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.639 9.502 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.647 8.591 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.665 10.287 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.218 9.470 11.666 1.00 0.00 H new ATOM 2167 N GLU A 135 17.044 7.617 7.798 1.00 0.00 N ATOM 2168 CA GLU A 135 17.550 6.587 8.719 1.00 0.00 C ATOM 2169 C GLU A 135 18.276 5.476 8.037 1.00 0.00 C ATOM 2170 O GLU A 135 18.968 4.660 8.676 1.00 0.00 O ATOM 2171 CB GLU A 135 16.522 6.113 9.656 1.00 0.00 C ATOM 2172 CG GLU A 135 15.297 5.542 9.053 1.00 0.00 C ATOM 2173 CD GLU A 135 14.362 5.042 10.116 1.00 0.00 C ATOM 2174 OE1 GLU A 135 13.737 5.870 10.803 1.00 0.00 O ATOM 2175 OE2 GLU A 135 14.274 3.816 10.329 1.00 0.00 O ATOM 0 H GLU A 135 16.148 7.429 7.348 1.00 0.00 H new ATOM 0 HA GLU A 135 18.307 7.086 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 135 16.970 5.357 10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.232 6.947 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.797 6.299 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 135 15.563 4.725 8.383 1.00 0.00 H new ATOM 2182 N LYS A 136 18.083 5.447 6.772 1.00 0.00 N ATOM 2183 CA LYS A 136 18.761 4.558 5.837 1.00 0.00 C ATOM 2184 C LYS A 136 18.201 3.175 5.926 1.00 0.00 C ATOM 2185 O LYS A 136 18.741 2.278 6.559 1.00 0.00 O ATOM 2186 CB LYS A 136 20.290 4.626 5.942 1.00 0.00 C ATOM 2187 CG LYS A 136 20.822 6.002 5.577 1.00 0.00 C ATOM 2188 CD LYS A 136 22.322 6.098 5.701 1.00 0.00 C ATOM 2189 CE LYS A 136 22.790 7.472 5.266 1.00 0.00 C ATOM 2190 NZ LYS A 136 24.237 7.628 5.400 1.00 0.00 N ATOM 0 H LYS A 136 17.416 6.067 6.312 1.00 0.00 H new ATOM 0 HA LYS A 136 18.555 4.914 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.596 4.376 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 136 20.733 3.879 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.530 6.240 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 136 20.360 6.749 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.623 5.912 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 136 22.796 5.332 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.502 7.641 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 136 22.287 8.232 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 24.513 8.582 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 24.510 7.493 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 24.719 6.920 4.810 1.00 0.00 H new ATOM 2204 N LEU A 137 17.057 3.062 5.354 1.00 0.00 N ATOM 2205 CA LEU A 137 16.258 1.889 5.389 1.00 0.00 C ATOM 2206 C LEU A 137 16.215 1.114 4.103 1.00 0.00 C ATOM 2207 O LEU A 137 15.708 1.599 3.105 1.00 0.00 O ATOM 2208 CB LEU A 137 14.882 2.303 5.739 1.00 0.00 C ATOM 2209 CG LEU A 137 14.556 2.371 7.199 1.00 0.00 C ATOM 2210 CD1 LEU A 137 13.173 2.838 7.421 1.00 0.00 C ATOM 2211 CD2 LEU A 137 14.724 1.059 7.864 1.00 0.00 C ATOM 0 H LEU A 137 16.631 3.821 4.823 1.00 0.00 H new ATOM 0 HA LEU A 137 16.708 1.218 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 137 14.700 3.285 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 137 14.186 1.610 5.266 1.00 0.00 H new ATOM 0 HG LEU A 137 15.257 3.083 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.969 2.876 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.052 3.833 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.476 2.150 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.477 1.153 8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.061 0.329 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 137 15.757 0.728 7.760 1.00 0.00 H new ATOM 2223 N ASN A 138 16.708 -0.100 4.174 1.00 0.00 N ATOM 2224 CA ASN A 138 16.708 -1.099 3.093 1.00 0.00 C ATOM 2225 C ASN A 138 17.226 -0.548 1.767 1.00 0.00 C ATOM 2226 O ASN A 138 18.423 -0.586 1.500 1.00 0.00 O ATOM 2227 CB ASN A 138 15.335 -1.779 2.926 1.00 0.00 C ATOM 2228 CG ASN A 138 14.856 -2.575 4.146 1.00 0.00 C ATOM 2229 OD1 ASN A 138 15.203 -3.744 4.328 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.992 -1.996 4.938 1.00 0.00 N ATOM 0 H ASN A 138 17.146 -0.451 5.025 1.00 0.00 H new ATOM 0 HA ASN A 138 17.416 -1.867 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.593 -1.015 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.380 -2.449 2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.593 -2.512 5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.717 -1.028 4.772 1.00 0.00 H new ATOM 2237 N ILE A 139 16.333 0.020 0.965 1.00 0.00 N ATOM 2238 CA ILE A 139 16.698 0.655 -0.305 1.00 0.00 C ATOM 2239 C ILE A 139 17.517 1.891 -0.055 1.00 0.00 C ATOM 2240 O ILE A 139 18.374 2.278 -0.853 1.00 0.00 O ATOM 2241 CB ILE A 139 15.453 0.983 -1.156 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.457 1.845 -0.380 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.786 -0.299 -1.620 1.00 0.00 C ATOM 2244 CD1 ILE A 139 13.215 2.196 -1.170 1.00 0.00 C ATOM 0 H ILE A 139 15.335 0.056 1.173 1.00 0.00 H new ATOM 0 HA ILE A 139 17.301 -0.054 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 139 15.781 1.552 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 139 14.163 1.318 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 139 14.951 2.765 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 139 13.909 -0.056 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.488 -0.877 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.482 -0.885 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.554 2.808 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.498 2.751 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.697 1.281 -1.459 1.00 0.00 H new ATOM 2256 N TRP A 140 17.320 2.438 1.093 1.00 0.00 N ATOM 2257 CA TRP A 140 17.982 3.605 1.529 1.00 0.00 C ATOM 2258 C TRP A 140 19.292 3.247 2.236 1.00 0.00 C ATOM 2259 O TRP A 140 19.943 4.091 2.810 1.00 0.00 O ATOM 2260 CB TRP A 140 17.014 4.400 2.403 1.00 0.00 C ATOM 2261 CG TRP A 140 15.767 4.761 1.689 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.543 4.545 2.145 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.609 5.335 0.375 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.610 4.909 1.216 1.00 0.00 N ATOM 2265 CE2 TRP A 140 14.237 5.405 0.129 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.478 5.789 -0.609 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 13.717 5.902 -1.050 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 15.960 6.285 -1.775 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.593 6.336 -1.987 1.00 0.00 C ATOM 0 H TRP A 140 16.664 2.064 1.779 1.00 0.00 H new ATOM 0 HA TRP A 140 18.270 4.233 0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 140 16.765 3.815 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.506 5.309 2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.314 4.137 3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.600 4.820 1.326 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.546 5.751 -0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.651 5.943 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 16.630 6.643 -2.543 1.00 0.00 H new ATOM 0 HH2 TRP A 140 14.217 6.730 -2.920 1.00 0.00 H new