USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 675 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 9 LYS NZ :NH3+ -111:sc= 0.00977 (180deg=-2.07) USER MOD Set 1.2: A 77 TYR OH : rot -31:sc= 0.00315! USER MOD Set 1.3: A 79 TYR OH : rot -30:sc= 0.066 USER MOD Single : A 10 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.9!) USER MOD Single : A 13 MET CE :methyl -162:sc= -4.69! (180deg=-4.97!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 136:sc= -5.31! (180deg=-10!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.983 F(o=-2.7!,f=-0.98) USER MOD Single : A 19 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.8!) USER MOD Single : A 24 CYS SG : rot -24:sc= -1.64 USER MOD Single : A 26 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 27 GLN : amide:sc= -0.0625 X(o=-0.063,f=-0.17) USER MOD Single : A 29 MET CE :methyl -158:sc= -0.205 (180deg=-0.754) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 70:sc= 0.947 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.568 F(o=-2.7,f=-0.57) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.565 (180deg=-0.224) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -2.52! (180deg=-5.34!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.51 F(o=-9.1!,f=-2.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 55 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-5!) USER MOD Single : A 56 CYS SG : rot 111:sc= -2.15 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.438 F(o=-3.3,f=-0.44) USER MOD Single : A 66 SER OG : rot -50:sc= 1.14 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.819 X(o=-0.82,f=-0.81) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-4.8!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= -2.32 (180deg=-7.17!) USER MOD Single : A 90 SER OG : rot -55:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.505 5.525 7.264 1.00 0.00 N ATOM 90 CA ALA A 6 4.899 4.251 6.896 1.00 0.00 C ATOM 91 C ALA A 6 4.967 3.279 8.067 1.00 0.00 C ATOM 92 O ALA A 6 5.971 2.593 8.257 1.00 0.00 O ATOM 93 CB ALA A 6 5.593 3.663 5.675 1.00 0.00 C ATOM 0 HA ALA A 6 3.852 4.423 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.128 2.712 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.501 4.354 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.648 3.502 5.898 1.00 0.00 H new ATOM 99 N VAL A 7 3.901 3.234 8.862 1.00 0.00 N ATOM 100 CA VAL A 7 3.862 2.353 10.025 1.00 0.00 C ATOM 101 C VAL A 7 2.755 1.312 9.907 1.00 0.00 C ATOM 102 O VAL A 7 1.571 1.650 9.880 1.00 0.00 O ATOM 103 CB VAL A 7 3.659 3.154 11.327 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.682 2.232 12.537 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.717 4.241 11.455 1.00 0.00 C ATOM 0 H VAL A 7 3.059 3.793 8.724 1.00 0.00 H new ATOM 0 HA VAL A 7 4.825 1.843 10.060 1.00 0.00 H new ATOM 0 HB VAL A 7 2.680 3.632 11.286 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.537 2.819 13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.883 1.496 12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.643 1.720 12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.558 4.796 12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.707 3.785 11.471 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.644 4.921 10.606 1.00 0.00 H new ATOM 115 N ILE A 8 3.148 0.044 9.852 1.00 0.00 N ATOM 116 CA ILE A 8 2.192 -1.051 9.752 1.00 0.00 C ATOM 117 C ILE A 8 1.475 -1.263 11.082 1.00 0.00 C ATOM 118 O ILE A 8 2.082 -1.152 12.147 1.00 0.00 O ATOM 119 CB ILE A 8 2.884 -2.364 9.332 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.629 -2.173 8.010 1.00 0.00 C ATOM 121 CG2 ILE A 8 1.866 -3.491 9.212 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.356 -3.414 7.541 1.00 0.00 C ATOM 0 H ILE A 8 4.124 -0.251 9.875 1.00 0.00 H new ATOM 0 HA ILE A 8 1.465 -0.778 8.987 1.00 0.00 H new ATOM 0 HB ILE A 8 3.607 -2.635 10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.918 -1.866 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.348 -1.361 8.121 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.373 -4.409 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.376 -3.642 10.174 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.120 -3.229 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.862 -3.205 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.091 -3.710 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.640 -4.223 7.397 1.00 0.00 H new ATOM 134 N LYS A 9 0.182 -1.566 11.017 1.00 0.00 N ATOM 135 CA LYS A 9 -0.605 -1.788 12.225 1.00 0.00 C ATOM 136 C LYS A 9 -0.748 -3.278 12.521 1.00 0.00 C ATOM 137 O LYS A 9 -0.353 -3.746 13.588 1.00 0.00 O ATOM 138 CB LYS A 9 -1.990 -1.153 12.091 1.00 0.00 C ATOM 139 CG LYS A 9 -2.823 -1.252 13.360 1.00 0.00 C ATOM 140 CD LYS A 9 -4.209 -0.657 13.170 1.00 0.00 C ATOM 141 CE LYS A 9 -5.023 -1.449 12.159 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.371 -0.859 11.946 1.00 0.00 N ATOM 0 H LYS A 9 -0.340 -1.663 10.146 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.077 -1.318 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.876 -0.103 11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.526 -1.636 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.913 -2.297 13.656 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.313 -0.734 14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.732 -0.639 14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.119 0.377 12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.488 -1.484 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.128 -2.478 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.094 -1.494 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.425 0.065 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.538 -0.734 10.927 1.00 0.00 H new ATOM 156 N ASN A 10 -1.317 -4.018 11.574 1.00 0.00 N ATOM 157 CA ASN A 10 -1.511 -5.452 11.748 1.00 0.00 C ATOM 158 C ASN A 10 -1.326 -6.198 10.430 1.00 0.00 C ATOM 159 O ASN A 10 -1.636 -5.678 9.358 1.00 0.00 O ATOM 160 CB ASN A 10 -2.904 -5.732 12.317 1.00 0.00 C ATOM 161 CG ASN A 10 -3.148 -7.212 12.549 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.098 -8.016 11.618 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.419 -7.577 13.797 1.00 0.00 N ATOM 0 H ASN A 10 -1.650 -3.650 10.683 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.758 -5.810 12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.024 -5.195 13.258 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.658 -5.345 11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.596 -8.558 14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.450 -6.877 14.538 1.00 0.00 H new ATOM 170 N ALA A 11 -0.822 -7.423 10.524 1.00 0.00 N ATOM 171 CA ALA A 11 -0.595 -8.256 9.351 1.00 0.00 C ATOM 172 C ALA A 11 -0.498 -9.727 9.751 1.00 0.00 C ATOM 173 O ALA A 11 0.172 -10.066 10.726 1.00 0.00 O ATOM 174 CB ALA A 11 0.671 -7.819 8.629 1.00 0.00 C ATOM 0 H ALA A 11 -0.562 -7.863 11.407 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.441 -8.137 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.828 -8.451 7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.570 -6.781 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.524 -7.912 9.301 1.00 0.00 H new ATOM 180 N ASP A 12 -1.173 -10.594 9.003 1.00 0.00 N ATOM 181 CA ASP A 12 -1.158 -12.023 9.300 1.00 0.00 C ATOM 182 C ASP A 12 -0.812 -12.842 8.061 1.00 0.00 C ATOM 183 O ASP A 12 -1.687 -13.447 7.442 1.00 0.00 O ATOM 184 CB ASP A 12 -2.515 -12.462 9.851 1.00 0.00 C ATOM 185 CG ASP A 12 -2.887 -11.731 11.126 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.135 -11.841 12.116 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.932 -11.045 11.133 1.00 0.00 O ATOM 0 H ASP A 12 -1.734 -10.335 8.192 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.389 -12.201 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.283 -12.287 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.496 -13.535 10.043 1.00 0.00 H new ATOM 192 N MET A 13 0.470 -12.860 7.706 1.00 0.00 N ATOM 193 CA MET A 13 0.921 -13.613 6.541 1.00 0.00 C ATOM 194 C MET A 13 2.440 -13.784 6.538 1.00 0.00 C ATOM 195 O MET A 13 3.125 -13.367 7.470 1.00 0.00 O ATOM 196 CB MET A 13 0.454 -12.928 5.255 1.00 0.00 C ATOM 197 CG MET A 13 0.700 -11.429 5.237 1.00 0.00 C ATOM 198 SD MET A 13 0.105 -10.649 3.725 1.00 0.00 S ATOM 199 CE MET A 13 0.500 -8.934 4.050 1.00 0.00 C ATOM 0 H MET A 13 1.210 -12.365 8.205 1.00 0.00 H new ATOM 0 HA MET A 13 0.478 -14.608 6.592 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.966 -13.381 4.406 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.612 -13.114 5.121 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.207 -10.973 6.095 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.768 -11.238 5.344 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.075 -8.295 3.380 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.252 -8.693 5.084 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.564 -8.768 3.884 1.00 0.00 H new ATOM 209 N SER A 14 2.955 -14.415 5.483 1.00 0.00 N ATOM 210 CA SER A 14 4.391 -14.665 5.342 1.00 0.00 C ATOM 211 C SER A 14 5.228 -13.441 5.713 1.00 0.00 C ATOM 212 O SER A 14 6.377 -13.579 6.129 1.00 0.00 O ATOM 213 CB SER A 14 4.714 -15.098 3.912 1.00 0.00 C ATOM 214 OG SER A 14 4.028 -16.291 3.572 1.00 0.00 O ATOM 0 H SER A 14 2.394 -14.765 4.707 1.00 0.00 H new ATOM 0 HA SER A 14 4.649 -15.465 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.437 -14.305 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.788 -15.251 3.809 1.00 0.00 H new ATOM 0 HG SER A 14 4.250 -16.545 2.652 1.00 0.00 H new ATOM 220 N GLU A 15 4.642 -12.252 5.547 1.00 0.00 N ATOM 221 CA GLU A 15 5.311 -10.980 5.851 1.00 0.00 C ATOM 222 C GLU A 15 5.992 -10.403 4.613 1.00 0.00 C ATOM 223 O GLU A 15 6.117 -9.186 4.469 1.00 0.00 O ATOM 224 CB GLU A 15 6.334 -11.122 6.989 1.00 0.00 C ATOM 225 CG GLU A 15 5.752 -11.709 8.265 1.00 0.00 C ATOM 226 CD GLU A 15 6.776 -11.823 9.378 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.945 -11.440 9.152 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.412 -12.295 10.476 1.00 0.00 O ATOM 0 H GLU A 15 3.690 -12.142 5.198 1.00 0.00 H new ATOM 0 HA GLU A 15 4.532 -10.292 6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.155 -11.754 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.756 -10.142 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.924 -11.086 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.342 -12.696 8.052 1.00 0.00 H new ATOM 235 N ASP A 16 6.415 -11.282 3.712 1.00 0.00 N ATOM 236 CA ASP A 16 7.067 -10.851 2.484 1.00 0.00 C ATOM 237 C ASP A 16 6.114 -10.012 1.643 1.00 0.00 C ATOM 238 O ASP A 16 6.539 -9.288 0.742 1.00 0.00 O ATOM 239 CB ASP A 16 7.554 -12.061 1.684 1.00 0.00 C ATOM 240 CG ASP A 16 6.427 -13.008 1.318 1.00 0.00 C ATOM 241 OD1 ASP A 16 5.269 -12.729 1.696 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.702 -14.029 0.655 1.00 0.00 O ATOM 0 H ASP A 16 6.318 -12.293 3.809 1.00 0.00 H new ATOM 0 HA ASP A 16 7.929 -10.239 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.045 -11.717 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.302 -12.600 2.266 1.00 0.00 H new ATOM 247 N MET A 17 4.824 -10.113 1.946 1.00 0.00 N ATOM 248 CA MET A 17 3.814 -9.362 1.225 1.00 0.00 C ATOM 249 C MET A 17 3.603 -8.006 1.854 1.00 0.00 C ATOM 250 O MET A 17 3.489 -7.009 1.148 1.00 0.00 O ATOM 251 CB MET A 17 2.514 -10.158 1.164 1.00 0.00 C ATOM 252 CG MET A 17 2.617 -11.404 0.303 1.00 0.00 C ATOM 253 SD MET A 17 1.088 -12.356 0.257 1.00 0.00 S ATOM 254 CE MET A 17 1.586 -13.727 -0.782 1.00 0.00 C ATOM 0 H MET A 17 4.457 -10.710 2.688 1.00 0.00 H new ATOM 0 HA MET A 17 4.159 -9.197 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.223 -10.445 2.175 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.722 -9.519 0.774 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.890 -11.116 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.421 -12.036 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.219 -14.660 -0.354 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.169 -13.597 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.674 -13.760 -0.845 1.00 0.00 H new ATOM 264 N GLN A 18 3.605 -7.946 3.175 1.00 0.00 N ATOM 265 CA GLN A 18 3.473 -6.663 3.839 1.00 0.00 C ATOM 266 C GLN A 18 4.710 -5.828 3.512 1.00 0.00 C ATOM 267 O GLN A 18 4.686 -4.599 3.590 1.00 0.00 O ATOM 268 CB GLN A 18 3.286 -6.825 5.350 1.00 0.00 C ATOM 269 CG GLN A 18 4.225 -7.826 5.992 1.00 0.00 C ATOM 270 CD GLN A 18 3.884 -8.080 7.446 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.230 -9.208 7.709 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 4.174 -7.262 8.317 1.00 0.00 N flip ATOM 0 H GLN A 18 3.694 -8.751 3.796 1.00 0.00 H new ATOM 0 HA GLN A 18 2.580 -6.154 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.426 -5.855 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.258 -7.131 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.183 -8.766 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.249 -7.459 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.677 -6.410 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.912 -7.436 9.287 1.00 0.00 H new ATOM 281 N GLN A 19 5.779 -6.517 3.092 1.00 0.00 N ATOM 282 CA GLN A 19 7.011 -5.849 2.697 1.00 0.00 C ATOM 283 C GLN A 19 6.903 -5.411 1.244 1.00 0.00 C ATOM 284 O GLN A 19 7.147 -4.252 0.909 1.00 0.00 O ATOM 285 CB GLN A 19 8.215 -6.775 2.885 1.00 0.00 C ATOM 286 CG GLN A 19 8.487 -7.139 4.336 1.00 0.00 C ATOM 287 CD GLN A 19 8.832 -5.932 5.188 1.00 0.00 C ATOM 288 OE1 GLN A 19 8.029 -5.008 5.328 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.029 -5.934 5.762 1.00 0.00 N ATOM 0 H GLN A 19 5.809 -7.534 3.020 1.00 0.00 H new ATOM 0 HA GLN A 19 7.158 -4.974 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.051 -7.690 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.100 -6.294 2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.610 -7.634 4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.307 -7.855 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.662 -6.721 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.316 -5.149 6.347 1.00 0.00 H new ATOM 298 N ASP A 20 6.494 -6.345 0.389 1.00 0.00 N ATOM 299 CA ASP A 20 6.304 -6.056 -1.028 1.00 0.00 C ATOM 300 C ASP A 20 5.105 -5.132 -1.198 1.00 0.00 C ATOM 301 O ASP A 20 4.954 -4.469 -2.222 1.00 0.00 O ATOM 302 CB ASP A 20 6.097 -7.350 -1.818 1.00 0.00 C ATOM 303 CG ASP A 20 6.008 -7.117 -3.314 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.152 -5.954 -3.747 1.00 0.00 O ATOM 305 OD2 ASP A 20 5.801 -8.100 -4.056 1.00 0.00 O ATOM 0 H ASP A 20 6.288 -7.308 0.654 1.00 0.00 H new ATOM 0 HA ASP A 20 7.196 -5.564 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.920 -8.033 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.184 -7.837 -1.476 1.00 0.00 H new ATOM 310 N ALA A 21 4.270 -5.083 -0.167 1.00 0.00 N ATOM 311 CA ALA A 21 3.098 -4.224 -0.166 1.00 0.00 C ATOM 312 C ALA A 21 3.531 -2.795 0.106 1.00 0.00 C ATOM 313 O ALA A 21 3.175 -1.873 -0.631 1.00 0.00 O ATOM 314 CB ALA A 21 2.092 -4.687 0.879 1.00 0.00 C ATOM 0 H ALA A 21 4.387 -5.633 0.684 1.00 0.00 H new ATOM 0 HA ALA A 21 2.612 -4.276 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.222 -4.030 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.780 -5.708 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.552 -4.655 1.866 1.00 0.00 H new ATOM 320 N VAL A 22 4.333 -2.625 1.153 1.00 0.00 N ATOM 321 CA VAL A 22 4.851 -1.312 1.503 1.00 0.00 C ATOM 322 C VAL A 22 5.680 -0.766 0.346 1.00 0.00 C ATOM 323 O VAL A 22 5.706 0.439 0.102 1.00 0.00 O ATOM 324 CB VAL A 22 5.717 -1.360 2.779 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.255 0.024 3.117 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.918 -1.925 3.945 1.00 0.00 C ATOM 0 H VAL A 22 4.636 -3.379 1.770 1.00 0.00 H new ATOM 0 HA VAL A 22 4.001 -0.658 1.699 1.00 0.00 H new ATOM 0 HB VAL A 22 6.565 -2.018 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.863 -0.032 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.865 0.389 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.422 0.708 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.545 -1.952 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.049 -1.293 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.587 -2.935 3.704 1.00 0.00 H new ATOM 336 N ASP A 23 6.328 -1.674 -0.382 1.00 0.00 N ATOM 337 CA ASP A 23 7.127 -1.288 -1.540 1.00 0.00 C ATOM 338 C ASP A 23 6.214 -1.088 -2.722 1.00 0.00 C ATOM 339 O ASP A 23 6.343 -0.117 -3.454 1.00 0.00 O ATOM 340 CB ASP A 23 8.191 -2.341 -1.851 1.00 0.00 C ATOM 341 CG ASP A 23 9.180 -2.518 -0.716 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.849 -1.529 -0.352 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.288 -3.647 -0.193 1.00 0.00 O ATOM 0 H ASP A 23 6.315 -2.676 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 23 7.647 -0.356 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.705 -3.295 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.728 -2.055 -2.755 1.00 0.00 H new ATOM 348 N CYS A 24 5.255 -1.982 -2.881 1.00 0.00 N ATOM 349 CA CYS A 24 4.292 -1.846 -3.958 1.00 0.00 C ATOM 350 C CYS A 24 3.508 -0.554 -3.762 1.00 0.00 C ATOM 351 O CYS A 24 2.906 -0.036 -4.700 1.00 0.00 O ATOM 352 CB CYS A 24 3.346 -3.046 -4.002 1.00 0.00 C ATOM 353 SG CYS A 24 2.101 -2.958 -5.310 1.00 0.00 S ATOM 0 H CYS A 24 5.123 -2.800 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 24 4.823 -1.811 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.934 -3.954 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.841 -3.132 -3.040 1.00 0.00 H new ATOM 0 HG CYS A 24 1.906 -1.716 -5.640 1.00 0.00 H new ATOM 359 N ALA A 25 3.550 -0.021 -2.539 1.00 0.00 N ATOM 360 CA ALA A 25 2.876 1.226 -2.228 1.00 0.00 C ATOM 361 C ALA A 25 3.808 2.391 -2.526 1.00 0.00 C ATOM 362 O ALA A 25 3.402 3.402 -3.095 1.00 0.00 O ATOM 363 CB ALA A 25 2.435 1.249 -0.773 1.00 0.00 C ATOM 0 H ALA A 25 4.046 -0.440 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 25 1.984 1.315 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.932 2.192 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.749 0.422 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.307 1.149 -0.127 1.00 0.00 H new ATOM 369 N THR A 26 5.074 2.222 -2.159 1.00 0.00 N ATOM 370 CA THR A 26 6.081 3.243 -2.404 1.00 0.00 C ATOM 371 C THR A 26 6.295 3.405 -3.902 1.00 0.00 C ATOM 372 O THR A 26 6.430 4.521 -4.407 1.00 0.00 O ATOM 373 CB THR A 26 7.398 2.873 -1.721 1.00 0.00 C ATOM 374 OG1 THR A 26 7.217 2.736 -0.323 1.00 0.00 O ATOM 375 CG2 THR A 26 8.496 3.892 -1.943 1.00 0.00 C ATOM 0 H THR A 26 5.425 1.387 -1.691 1.00 0.00 H new ATOM 0 HA THR A 26 5.732 4.188 -1.987 1.00 0.00 H new ATOM 0 HB THR A 26 7.702 1.930 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.699 1.925 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.402 3.568 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.695 3.985 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.182 4.858 -1.547 1.00 0.00 H new ATOM 383 N GLN A 27 6.299 2.281 -4.612 1.00 0.00 N ATOM 384 CA GLN A 27 6.470 2.296 -6.056 1.00 0.00 C ATOM 385 C GLN A 27 5.183 2.758 -6.713 1.00 0.00 C ATOM 386 O GLN A 27 5.201 3.528 -7.672 1.00 0.00 O ATOM 387 CB GLN A 27 6.861 0.910 -6.580 1.00 0.00 C ATOM 388 CG GLN A 27 8.087 0.317 -5.900 1.00 0.00 C ATOM 389 CD GLN A 27 9.258 1.279 -5.848 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.751 1.734 -6.880 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.708 1.590 -4.638 1.00 0.00 N ATOM 0 H GLN A 27 6.186 1.351 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 27 7.276 2.988 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.019 0.231 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.049 0.977 -7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.824 0.018 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.389 -0.586 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.267 1.188 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.495 2.231 -4.536 1.00 0.00 H new ATOM 400 N ALA A 28 4.062 2.289 -6.179 1.00 0.00 N ATOM 401 CA ALA A 28 2.764 2.669 -6.711 1.00 0.00 C ATOM 402 C ALA A 28 2.472 4.142 -6.438 1.00 0.00 C ATOM 403 O ALA A 28 1.790 4.802 -7.220 1.00 0.00 O ATOM 404 CB ALA A 28 1.664 1.797 -6.127 1.00 0.00 C ATOM 0 H ALA A 28 4.027 1.650 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 28 2.789 2.518 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.702 2.100 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.855 0.754 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.646 1.911 -5.043 1.00 0.00 H new ATOM 410 N MET A 29 3.000 4.659 -5.329 1.00 0.00 N ATOM 411 CA MET A 29 2.794 6.056 -4.967 1.00 0.00 C ATOM 412 C MET A 29 3.710 6.962 -5.774 1.00 0.00 C ATOM 413 O MET A 29 3.355 8.099 -6.084 1.00 0.00 O ATOM 414 CB MET A 29 3.025 6.268 -3.468 1.00 0.00 C ATOM 415 CG MET A 29 1.895 5.740 -2.598 1.00 0.00 C ATOM 416 SD MET A 29 0.337 6.601 -2.885 1.00 0.00 S ATOM 417 CE MET A 29 0.793 8.280 -2.462 1.00 0.00 C ATOM 0 H MET A 29 3.571 4.131 -4.669 1.00 0.00 H new ATOM 0 HA MET A 29 1.761 6.315 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.955 5.778 -3.179 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.153 7.333 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.759 4.676 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.173 5.839 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.103 8.847 -2.209 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.469 8.269 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.290 8.747 -3.312 1.00 0.00 H new ATOM 427 N GLU A 30 4.882 6.450 -6.128 1.00 0.00 N ATOM 428 CA GLU A 30 5.828 7.220 -6.919 1.00 0.00 C ATOM 429 C GLU A 30 5.471 7.100 -8.392 1.00 0.00 C ATOM 430 O GLU A 30 5.517 8.077 -9.140 1.00 0.00 O ATOM 431 CB GLU A 30 7.260 6.741 -6.680 1.00 0.00 C ATOM 432 CG GLU A 30 7.496 5.309 -7.119 1.00 0.00 C ATOM 433 CD GLU A 30 8.897 4.823 -6.803 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.267 4.810 -5.610 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.624 4.456 -7.750 1.00 0.00 O ATOM 0 H GLU A 30 5.197 5.512 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 30 5.770 8.265 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.948 7.395 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.493 6.831 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.771 4.659 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.322 5.229 -8.192 1.00 0.00 H new ATOM 442 N LYS A 31 5.087 5.893 -8.792 1.00 0.00 N ATOM 443 CA LYS A 31 4.687 5.634 -10.169 1.00 0.00 C ATOM 444 C LYS A 31 3.286 6.186 -10.403 1.00 0.00 C ATOM 445 O LYS A 31 2.967 6.671 -11.489 1.00 0.00 O ATOM 446 CB LYS A 31 4.719 4.135 -10.467 1.00 0.00 C ATOM 447 CG LYS A 31 4.311 3.789 -11.891 1.00 0.00 C ATOM 448 CD LYS A 31 5.230 4.443 -12.909 1.00 0.00 C ATOM 449 CE LYS A 31 4.817 4.104 -14.332 1.00 0.00 C ATOM 450 NZ LYS A 31 5.707 4.746 -15.338 1.00 0.00 N ATOM 0 H LYS A 31 5.044 5.078 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 31 5.389 6.130 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.725 3.758 -10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.055 3.621 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.331 2.707 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.285 4.113 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.215 5.524 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.255 4.115 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.837 3.023 -14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.789 4.427 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.391 4.489 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.669 5.779 -15.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.684 4.418 -15.197 1.00 0.00 H new ATOM 464 N TYR A 32 2.464 6.127 -9.360 1.00 0.00 N ATOM 465 CA TYR A 32 1.101 6.636 -9.421 1.00 0.00 C ATOM 466 C TYR A 32 0.851 7.552 -8.235 1.00 0.00 C ATOM 467 O TYR A 32 1.252 7.252 -7.112 1.00 0.00 O ATOM 468 CB TYR A 32 0.086 5.493 -9.441 1.00 0.00 C ATOM 469 CG TYR A 32 0.426 4.401 -10.429 1.00 0.00 C ATOM 470 CD1 TYR A 32 1.422 3.477 -10.150 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.247 4.295 -11.639 1.00 0.00 C ATOM 472 CE1 TYR A 32 1.739 2.476 -11.047 1.00 0.00 C ATOM 473 CE2 TYR A 32 0.063 3.299 -12.543 1.00 0.00 C ATOM 474 CZ TYR A 32 1.057 2.391 -12.242 1.00 0.00 C ATOM 475 OH TYR A 32 1.368 1.395 -13.140 1.00 0.00 O ATOM 0 H TYR A 32 2.722 5.729 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 32 0.978 7.200 -10.345 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.018 5.060 -8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.898 5.896 -9.681 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.959 3.541 -9.215 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.026 5.004 -11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.517 1.764 -10.814 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.469 3.231 -13.480 1.00 0.00 H new ATOM 0 HH TYR A 32 1.081 0.530 -12.781 1.00 0.00 H new ATOM 485 N ASN A 33 0.203 8.676 -8.494 1.00 0.00 N ATOM 486 CA ASN A 33 -0.082 9.643 -7.450 1.00 0.00 C ATOM 487 C ASN A 33 -1.577 9.719 -7.184 1.00 0.00 C ATOM 488 O ASN A 33 -2.046 10.608 -6.474 1.00 0.00 O ATOM 489 CB ASN A 33 0.455 11.024 -7.845 1.00 0.00 C ATOM 490 CG ASN A 33 1.964 11.047 -8.077 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.663 9.981 -7.688 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.500 12.033 -8.583 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.135 8.940 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 33 0.416 9.319 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.049 11.355 -8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.205 11.740 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.933 12.831 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.511 12.052 -8.716 1.00 0.00 H new ATOM 499 N ILE A 34 -2.322 8.777 -7.751 1.00 0.00 N ATOM 500 CA ILE A 34 -3.760 8.746 -7.560 1.00 0.00 C ATOM 501 C ILE A 34 -4.095 8.030 -6.258 1.00 0.00 C ATOM 502 O ILE A 34 -3.211 7.712 -5.465 1.00 0.00 O ATOM 503 CB ILE A 34 -4.486 8.012 -8.709 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.596 7.878 -9.944 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.791 8.718 -9.052 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.346 7.512 -11.209 1.00 0.00 C ATOM 0 H ILE A 34 -1.954 8.031 -8.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.098 9.782 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.718 7.004 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.071 8.820 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.837 7.119 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.289 8.188 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.439 8.731 -8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.580 9.741 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.644 7.436 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.848 6.555 -11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.086 8.282 -11.429 1.00 0.00 H new ATOM 518 N GLU A 35 -5.376 7.756 -6.060 1.00 0.00 N ATOM 519 CA GLU A 35 -5.834 7.048 -4.877 1.00 0.00 C ATOM 520 C GLU A 35 -6.547 5.765 -5.285 1.00 0.00 C ATOM 521 O GLU A 35 -6.579 4.791 -4.531 1.00 0.00 O ATOM 522 CB GLU A 35 -6.760 7.932 -4.040 1.00 0.00 C ATOM 523 CG GLU A 35 -8.006 8.384 -4.783 1.00 0.00 C ATOM 524 CD GLU A 35 -8.910 9.256 -3.932 1.00 0.00 C ATOM 525 OE1 GLU A 35 -8.447 10.325 -3.481 1.00 0.00 O ATOM 526 OE2 GLU A 35 -10.076 8.869 -3.716 1.00 0.00 O ATOM 0 H GLU A 35 -6.119 8.016 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.968 6.793 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.059 7.386 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.207 8.810 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.712 8.935 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.562 7.508 -5.118 1.00 0.00 H new ATOM 533 N LYS A 36 -7.103 5.768 -6.492 1.00 0.00 N ATOM 534 CA LYS A 36 -7.797 4.607 -7.017 1.00 0.00 C ATOM 535 C LYS A 36 -6.848 3.747 -7.849 1.00 0.00 C ATOM 536 O LYS A 36 -7.135 2.581 -8.117 1.00 0.00 O ATOM 537 CB LYS A 36 -8.993 5.039 -7.868 1.00 0.00 C ATOM 538 CG LYS A 36 -8.612 5.902 -9.059 1.00 0.00 C ATOM 539 CD LYS A 36 -9.834 6.305 -9.867 1.00 0.00 C ATOM 540 CE LYS A 36 -9.454 7.170 -11.059 1.00 0.00 C ATOM 541 NZ LYS A 36 -10.645 7.571 -11.856 1.00 0.00 N ATOM 0 H LYS A 36 -7.084 6.568 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.159 4.016 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.514 4.151 -8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.695 5.589 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.093 6.795 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.916 5.357 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.352 5.411 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.530 6.849 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.934 8.062 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.758 6.625 -11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.343 8.159 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.127 6.721 -12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.298 8.114 -11.255 1.00 0.00 H new ATOM 555 N ASP A 37 -5.704 4.318 -8.242 1.00 0.00 N ATOM 556 CA ASP A 37 -4.725 3.581 -9.020 1.00 0.00 C ATOM 557 C ASP A 37 -3.738 2.899 -8.090 1.00 0.00 C ATOM 558 O ASP A 37 -3.202 1.842 -8.407 1.00 0.00 O ATOM 559 CB ASP A 37 -3.987 4.503 -9.988 1.00 0.00 C ATOM 560 CG ASP A 37 -3.063 3.732 -10.906 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.208 2.981 -10.391 1.00 0.00 O ATOM 562 OD2 ASP A 37 -3.193 3.879 -12.140 1.00 0.00 O ATOM 0 H ASP A 37 -5.442 5.281 -8.032 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.248 2.826 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.711 5.058 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.410 5.236 -9.424 1.00 0.00 H new ATOM 567 N ILE A 38 -3.527 3.500 -6.925 1.00 0.00 N ATOM 568 CA ILE A 38 -2.636 2.928 -5.935 1.00 0.00 C ATOM 569 C ILE A 38 -3.291 1.689 -5.361 1.00 0.00 C ATOM 570 O ILE A 38 -2.644 0.685 -5.080 1.00 0.00 O ATOM 571 CB ILE A 38 -2.357 3.912 -4.784 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.924 5.266 -5.337 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.293 3.351 -3.851 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.668 5.194 -6.169 1.00 0.00 C ATOM 0 H ILE A 38 -3.961 4.380 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.689 2.692 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.276 4.049 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.731 5.678 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.764 5.955 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.108 4.059 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.638 2.405 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.371 3.187 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.414 6.190 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.151 4.811 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.831 4.529 -7.017 1.00 0.00 H new ATOM 586 N ALA A 39 -4.604 1.781 -5.225 1.00 0.00 N ATOM 587 CA ALA A 39 -5.399 0.682 -4.707 1.00 0.00 C ATOM 588 C ALA A 39 -5.715 -0.301 -5.815 1.00 0.00 C ATOM 589 O ALA A 39 -5.931 -1.483 -5.568 1.00 0.00 O ATOM 590 CB ALA A 39 -6.679 1.207 -4.073 1.00 0.00 C ATOM 0 H ALA A 39 -5.144 2.612 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.825 0.164 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.264 0.371 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.429 1.881 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.262 1.745 -4.821 1.00 0.00 H new ATOM 596 N ALA A 40 -5.721 0.197 -7.045 1.00 0.00 N ATOM 597 CA ALA A 40 -5.995 -0.641 -8.202 1.00 0.00 C ATOM 598 C ALA A 40 -4.709 -1.268 -8.719 1.00 0.00 C ATOM 599 O ALA A 40 -4.732 -2.309 -9.377 1.00 0.00 O ATOM 600 CB ALA A 40 -6.673 0.168 -9.297 1.00 0.00 C ATOM 0 H ALA A 40 -5.539 1.176 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.671 -1.441 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.871 -0.475 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.613 0.572 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.022 0.988 -9.600 1.00 0.00 H new ATOM 606 N TYR A 41 -3.585 -0.632 -8.403 1.00 0.00 N ATOM 607 CA TYR A 41 -2.285 -1.137 -8.832 1.00 0.00 C ATOM 608 C TYR A 41 -1.750 -2.136 -7.818 1.00 0.00 C ATOM 609 O TYR A 41 -1.040 -3.075 -8.168 1.00 0.00 O ATOM 610 CB TYR A 41 -1.288 0.009 -9.024 1.00 0.00 C ATOM 611 CG TYR A 41 0.090 -0.450 -9.451 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.923 -1.130 -8.570 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.554 -0.212 -10.738 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.178 -1.557 -8.959 1.00 0.00 C ATOM 615 CE2 TYR A 41 1.808 -0.634 -11.134 1.00 0.00 C ATOM 616 CZ TYR A 41 2.616 -1.305 -10.242 1.00 0.00 C ATOM 617 OH TYR A 41 3.865 -1.728 -10.635 1.00 0.00 O ATOM 0 H TYR A 41 -3.547 0.228 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.414 -1.639 -9.791 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.680 0.699 -9.772 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.203 0.566 -8.091 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.583 -1.328 -7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.076 0.312 -11.441 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.812 -2.085 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.154 -0.439 -12.138 1.00 0.00 H new ATOM 0 HH TYR A 41 4.018 -1.472 -11.568 1.00 0.00 H new ATOM 627 N ILE A 42 -2.123 -1.934 -6.565 1.00 0.00 N ATOM 628 CA ILE A 42 -1.712 -2.820 -5.488 1.00 0.00 C ATOM 629 C ILE A 42 -2.685 -3.985 -5.399 1.00 0.00 C ATOM 630 O ILE A 42 -2.304 -5.114 -5.086 1.00 0.00 O ATOM 631 CB ILE A 42 -1.674 -2.076 -4.139 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.684 -0.914 -4.204 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.298 -3.029 -3.012 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.902 0.121 -3.122 1.00 0.00 C ATOM 0 H ILE A 42 -2.714 -1.158 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.708 -3.185 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.668 -1.678 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.330 -1.305 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.763 -0.433 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.276 -2.485 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.034 -3.831 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.314 -3.454 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.165 0.918 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.904 0.539 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.794 -0.347 -2.144 1.00 0.00 H new ATOM 646 N LYS A 43 -3.941 -3.697 -5.717 1.00 0.00 N ATOM 647 CA LYS A 43 -4.980 -4.710 -5.714 1.00 0.00 C ATOM 648 C LYS A 43 -4.783 -5.614 -6.907 1.00 0.00 C ATOM 649 O LYS A 43 -4.943 -6.831 -6.818 1.00 0.00 O ATOM 650 CB LYS A 43 -6.363 -4.055 -5.777 1.00 0.00 C ATOM 651 CG LYS A 43 -7.511 -5.035 -5.956 1.00 0.00 C ATOM 652 CD LYS A 43 -8.840 -4.306 -6.092 1.00 0.00 C ATOM 653 CE LYS A 43 -9.999 -5.273 -6.288 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.221 -6.130 -5.092 1.00 0.00 N ATOM 0 H LYS A 43 -4.262 -2.765 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.918 -5.292 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.525 -3.487 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.377 -3.342 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.336 -5.646 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.550 -5.713 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.017 -3.703 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.793 -3.619 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.907 -4.711 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.801 -5.904 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.847 -6.921 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.309 -6.502 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.662 -5.566 -4.338 1.00 0.00 H new ATOM 668 N LYS A 44 -4.405 -5.003 -8.020 1.00 0.00 N ATOM 669 CA LYS A 44 -4.155 -5.751 -9.239 1.00 0.00 C ATOM 670 C LYS A 44 -2.810 -6.455 -9.141 1.00 0.00 C ATOM 671 O LYS A 44 -2.616 -7.539 -9.696 1.00 0.00 O ATOM 672 CB LYS A 44 -4.176 -4.815 -10.450 1.00 0.00 C ATOM 673 CG LYS A 44 -4.002 -5.532 -11.778 1.00 0.00 C ATOM 674 CD LYS A 44 -5.130 -6.517 -12.033 1.00 0.00 C ATOM 675 CE LYS A 44 -6.479 -5.817 -12.092 1.00 0.00 C ATOM 676 NZ LYS A 44 -7.589 -6.775 -12.360 1.00 0.00 N ATOM 0 H LYS A 44 -4.266 -3.996 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.940 -6.497 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.121 -4.271 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.383 -4.075 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.967 -4.801 -12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.048 -6.060 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.950 -7.043 -12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.143 -7.269 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.663 -5.302 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.460 -5.056 -12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.492 -6.260 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.427 -7.248 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.624 -7.487 -11.602 1.00 0.00 H new ATOM 690 N GLU A 45 -1.884 -5.829 -8.419 1.00 0.00 N ATOM 691 CA GLU A 45 -0.552 -6.392 -8.242 1.00 0.00 C ATOM 692 C GLU A 45 -0.587 -7.644 -7.373 1.00 0.00 C ATOM 693 O GLU A 45 0.241 -8.540 -7.540 1.00 0.00 O ATOM 694 CB GLU A 45 0.390 -5.355 -7.624 1.00 0.00 C ATOM 695 CG GLU A 45 1.796 -5.878 -7.375 1.00 0.00 C ATOM 696 CD GLU A 45 2.517 -6.240 -8.659 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.006 -7.102 -9.406 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.594 -5.662 -8.919 1.00 0.00 O ATOM 0 H GLU A 45 -2.032 -4.936 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.180 -6.672 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.446 -4.489 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.032 -5.010 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.371 -5.123 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.745 -6.756 -6.731 1.00 0.00 H new ATOM 705 N PHE A 46 -1.528 -7.702 -6.436 1.00 0.00 N ATOM 706 CA PHE A 46 -1.627 -8.854 -5.544 1.00 0.00 C ATOM 707 C PHE A 46 -2.544 -9.951 -6.085 1.00 0.00 C ATOM 708 O PHE A 46 -2.231 -11.135 -5.960 1.00 0.00 O ATOM 709 CB PHE A 46 -2.070 -8.416 -4.148 1.00 0.00 C ATOM 710 CG PHE A 46 -0.966 -7.770 -3.360 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.204 -8.463 -3.095 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.091 -6.474 -2.890 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.227 -7.878 -2.376 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.070 -5.882 -2.168 1.00 0.00 C ATOM 715 CZ PHE A 46 1.090 -6.584 -1.911 1.00 0.00 C ATOM 0 H PHE A 46 -2.225 -6.975 -6.275 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.629 -9.288 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.902 -7.717 -4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.441 -9.283 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.317 -9.475 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.996 -5.919 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.133 -8.431 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.181 -4.871 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.888 -6.123 -1.348 1.00 0.00 H new ATOM 725 N ASP A 47 -3.675 -9.573 -6.672 1.00 0.00 N ATOM 726 CA ASP A 47 -4.605 -10.564 -7.201 1.00 0.00 C ATOM 727 C ASP A 47 -4.082 -11.183 -8.495 1.00 0.00 C ATOM 728 O ASP A 47 -4.503 -12.274 -8.880 1.00 0.00 O ATOM 729 CB ASP A 47 -5.994 -9.951 -7.427 1.00 0.00 C ATOM 730 CG ASP A 47 -6.043 -8.979 -8.590 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.723 -9.394 -9.721 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.422 -7.810 -8.373 1.00 0.00 O ATOM 0 H ASP A 47 -3.967 -8.603 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.694 -11.356 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.712 -10.752 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.307 -9.435 -6.519 1.00 0.00 H new ATOM 737 N LYS A 48 -3.168 -10.486 -9.175 1.00 0.00 N ATOM 738 CA LYS A 48 -2.615 -10.992 -10.426 1.00 0.00 C ATOM 739 C LYS A 48 -1.363 -11.840 -10.206 1.00 0.00 C ATOM 740 O LYS A 48 -0.541 -11.972 -11.113 1.00 0.00 O ATOM 741 CB LYS A 48 -2.277 -9.835 -11.375 1.00 0.00 C ATOM 742 CG LYS A 48 -3.476 -9.006 -11.815 1.00 0.00 C ATOM 743 CD LYS A 48 -4.211 -9.625 -12.998 1.00 0.00 C ATOM 744 CE LYS A 48 -4.774 -10.999 -12.675 1.00 0.00 C ATOM 745 NZ LYS A 48 -5.658 -11.506 -13.760 1.00 0.00 N ATOM 0 H LYS A 48 -2.801 -9.581 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.382 -11.626 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.558 -9.179 -10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.787 -10.240 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.166 -8.899 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.142 -8.004 -12.083 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.023 -8.965 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.529 -9.704 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.954 -11.700 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.335 -10.951 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.022 -12.445 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.455 -10.851 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.116 -11.576 -14.645 1.00 0.00 H new ATOM 759 N LYS A 49 -1.205 -12.426 -9.016 1.00 0.00 N ATOM 760 CA LYS A 49 -0.026 -13.253 -8.758 1.00 0.00 C ATOM 761 C LYS A 49 -0.093 -14.004 -7.431 1.00 0.00 C ATOM 762 O LYS A 49 0.942 -14.317 -6.844 1.00 0.00 O ATOM 763 CB LYS A 49 1.240 -12.397 -8.799 1.00 0.00 C ATOM 764 CG LYS A 49 1.275 -11.323 -7.728 1.00 0.00 C ATOM 765 CD LYS A 49 2.578 -10.535 -7.747 1.00 0.00 C ATOM 766 CE LYS A 49 2.783 -9.797 -9.062 1.00 0.00 C ATOM 767 NZ LYS A 49 3.165 -10.712 -10.173 1.00 0.00 N ATOM 0 H LYS A 49 -1.859 -12.347 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.000 -14.004 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.110 -13.043 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.320 -11.926 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.437 -10.641 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.145 -11.784 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.579 -9.818 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.414 -11.214 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.866 -9.271 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.558 -9.041 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.962 -10.303 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.445 -11.634 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.355 -10.838 -10.813 1.00 0.00 H new ATOM 781 N TYR A 50 -1.293 -14.314 -6.966 1.00 0.00 N ATOM 782 CA TYR A 50 -1.448 -15.050 -5.727 1.00 0.00 C ATOM 783 C TYR A 50 -2.778 -15.778 -5.721 1.00 0.00 C ATOM 784 O TYR A 50 -2.857 -16.953 -5.366 1.00 0.00 O ATOM 785 CB TYR A 50 -1.357 -14.111 -4.522 1.00 0.00 C ATOM 786 CG TYR A 50 -1.270 -14.823 -3.184 1.00 0.00 C ATOM 787 CD1 TYR A 50 -1.162 -16.210 -3.108 1.00 0.00 C ATOM 788 CD2 TYR A 50 -1.287 -14.105 -1.995 1.00 0.00 C ATOM 789 CE1 TYR A 50 -1.077 -16.855 -1.888 1.00 0.00 C ATOM 790 CE2 TYR A 50 -1.201 -14.744 -0.771 1.00 0.00 C ATOM 791 CZ TYR A 50 -1.097 -16.118 -0.725 1.00 0.00 C ATOM 792 OH TYR A 50 -1.013 -16.757 0.492 1.00 0.00 O ATOM 0 H TYR A 50 -2.169 -14.068 -7.427 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.640 -15.779 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.482 -13.472 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.230 -13.458 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.144 -16.791 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.369 -13.029 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.995 -17.931 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.215 -14.170 0.144 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.040 -16.093 1.213 1.00 0.00 H new ATOM 802 N ASN A 51 -3.824 -15.048 -6.106 1.00 0.00 N ATOM 803 CA ASN A 51 -5.187 -15.569 -6.143 1.00 0.00 C ATOM 804 C ASN A 51 -6.193 -14.430 -5.996 1.00 0.00 C ATOM 805 O ASN A 51 -6.255 -13.787 -4.948 1.00 0.00 O ATOM 806 CB ASN A 51 -5.423 -16.581 -5.016 1.00 0.00 C ATOM 807 CG ASN A 51 -4.997 -16.074 -3.642 1.00 0.00 C ATOM 808 OD1 ASN A 51 -4.346 -14.910 -3.582 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -5.239 -16.738 -2.634 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.748 -14.075 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.323 -16.066 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.482 -16.839 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.877 -17.497 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.739 -17.624 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.940 -16.403 -1.718 1.00 0.00 H new ATOM 816 N PRO A 52 -7.009 -14.165 -7.031 1.00 0.00 N ATOM 817 CA PRO A 52 -8.010 -13.098 -6.970 1.00 0.00 C ATOM 818 C PRO A 52 -9.066 -13.388 -5.897 1.00 0.00 C ATOM 819 O PRO A 52 -9.547 -14.516 -5.793 1.00 0.00 O ATOM 820 CB PRO A 52 -8.639 -13.108 -8.366 1.00 0.00 C ATOM 821 CG PRO A 52 -8.349 -14.465 -8.912 1.00 0.00 C ATOM 822 CD PRO A 52 -7.031 -14.876 -8.320 1.00 0.00 C ATOM 0 HA PRO A 52 -7.576 -12.134 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.712 -12.924 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.211 -12.329 -8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.135 -15.170 -8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.299 -14.445 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.968 -15.956 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.195 -14.585 -8.956 1.00 0.00 H new ATOM 830 N THR A 53 -9.428 -12.376 -5.097 1.00 0.00 N ATOM 831 CA THR A 53 -8.860 -11.042 -5.221 1.00 0.00 C ATOM 832 C THR A 53 -8.676 -10.414 -3.859 1.00 0.00 C ATOM 833 O THR A 53 -9.373 -10.746 -2.899 1.00 0.00 O ATOM 834 CB THR A 53 -9.753 -10.151 -6.078 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.144 -10.820 -7.263 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.085 -8.855 -6.488 1.00 0.00 C ATOM 0 H THR A 53 -10.119 -12.466 -4.352 1.00 0.00 H new ATOM 0 HA THR A 53 -7.888 -11.137 -5.704 1.00 0.00 H new ATOM 0 HB THR A 53 -10.615 -9.920 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.717 -10.231 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.773 -8.267 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.813 -8.289 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.188 -9.075 -7.066 1.00 0.00 H new ATOM 844 N TRP A 54 -7.728 -9.508 -3.790 1.00 0.00 N ATOM 845 CA TRP A 54 -7.423 -8.818 -2.549 1.00 0.00 C ATOM 846 C TRP A 54 -8.089 -7.453 -2.503 1.00 0.00 C ATOM 847 O TRP A 54 -8.278 -6.808 -3.530 1.00 0.00 O ATOM 848 CB TRP A 54 -5.913 -8.697 -2.378 1.00 0.00 C ATOM 849 CG TRP A 54 -5.248 -10.032 -2.278 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.884 -10.857 -3.304 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.916 -10.715 -1.073 1.00 0.00 C ATOM 852 NE1 TRP A 54 -4.322 -12.008 -2.805 1.00 0.00 N ATOM 853 CE2 TRP A 54 -4.331 -11.943 -1.432 1.00 0.00 C ATOM 854 CE3 TRP A 54 -5.053 -10.398 0.277 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.882 -12.854 -0.480 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -4.610 -11.301 1.222 1.00 0.00 C ATOM 857 CH2 TRP A 54 -4.027 -12.517 0.840 1.00 0.00 C ATOM 0 H TRP A 54 -7.149 -9.228 -4.582 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.821 -9.403 -1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.496 -8.148 -3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.696 -8.117 -1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.018 -10.637 -4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.959 -12.782 -3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.498 -9.461 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.435 -13.793 -0.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.714 -11.067 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.685 -13.202 1.602 1.00 0.00 H new ATOM 868 N HIS A 55 -8.466 -7.029 -1.304 1.00 0.00 N ATOM 869 CA HIS A 55 -9.139 -5.744 -1.132 1.00 0.00 C ATOM 870 C HIS A 55 -8.216 -4.684 -0.533 1.00 0.00 C ATOM 871 O HIS A 55 -8.426 -4.225 0.590 1.00 0.00 O ATOM 872 CB HIS A 55 -10.380 -5.915 -0.255 1.00 0.00 C ATOM 873 CG HIS A 55 -11.412 -6.817 -0.855 1.00 0.00 C ATOM 874 ND1 HIS A 55 -11.169 -8.137 -1.168 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.701 -6.582 -1.201 1.00 0.00 C ATOM 876 CE1 HIS A 55 -12.261 -8.677 -1.680 1.00 0.00 C ATOM 877 NE2 HIS A 55 -13.204 -7.754 -1.710 1.00 0.00 N ATOM 0 H HIS A 55 -8.319 -7.551 -0.440 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.435 -5.396 -2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.079 -6.313 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.825 -4.937 -0.073 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.283 -8.622 -1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.233 -5.648 -1.096 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.364 -9.698 -2.016 1.00 0.00 H new ATOM 886 N CYS A 56 -7.206 -4.284 -1.300 1.00 0.00 N ATOM 887 CA CYS A 56 -6.264 -3.260 -0.855 1.00 0.00 C ATOM 888 C CYS A 56 -6.863 -1.870 -1.043 1.00 0.00 C ATOM 889 O CYS A 56 -6.807 -1.300 -2.133 1.00 0.00 O ATOM 890 CB CYS A 56 -4.951 -3.370 -1.632 1.00 0.00 C ATOM 891 SG CYS A 56 -3.703 -2.155 -1.145 1.00 0.00 S ATOM 0 H CYS A 56 -7.018 -4.653 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.061 -3.417 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.542 -4.371 -1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.160 -3.255 -2.696 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.724 -2.758 -0.539 1.00 0.00 H new ATOM 897 N ILE A 57 -7.441 -1.333 0.026 1.00 0.00 N ATOM 898 CA ILE A 57 -8.056 -0.016 -0.015 1.00 0.00 C ATOM 899 C ILE A 57 -7.204 1.005 0.721 1.00 0.00 C ATOM 900 O ILE A 57 -6.346 0.647 1.525 1.00 0.00 O ATOM 901 CB ILE A 57 -9.457 -0.043 0.620 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.299 -1.150 -0.015 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.139 1.311 0.471 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.739 -1.158 0.446 1.00 0.00 C ATOM 0 H ILE A 57 -7.495 -1.794 0.934 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.139 0.269 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.356 -0.253 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.274 -1.037 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.848 -2.115 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.129 1.272 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.541 2.076 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.236 1.555 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.274 -1.970 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.775 -1.302 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.208 -0.207 0.191 1.00 0.00 H new ATOM 916 N VAL A 58 -7.444 2.276 0.440 1.00 0.00 N ATOM 917 CA VAL A 58 -6.699 3.347 1.074 1.00 0.00 C ATOM 918 C VAL A 58 -7.643 4.348 1.740 1.00 0.00 C ATOM 919 O VAL A 58 -8.720 4.635 1.215 1.00 0.00 O ATOM 920 CB VAL A 58 -5.821 4.078 0.040 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.677 4.883 -0.929 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.797 4.965 0.731 1.00 0.00 C ATOM 0 H VAL A 58 -8.151 2.589 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.061 2.903 1.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.281 3.327 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.034 5.389 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.356 4.214 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.255 5.623 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.189 5.471 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.311 5.707 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.156 4.354 1.366 1.00 0.00 H new ATOM 932 N GLY A 59 -7.244 4.880 2.895 1.00 0.00 N ATOM 933 CA GLY A 59 -8.087 5.838 3.591 1.00 0.00 C ATOM 934 C GLY A 59 -7.296 6.822 4.430 1.00 0.00 C ATOM 935 O GLY A 59 -6.071 6.883 4.337 1.00 0.00 O ATOM 0 H GLY A 59 -6.360 4.667 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.682 6.387 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.785 5.301 4.233 1.00 0.00 H new ATOM 939 N ARG A 60 -7.997 7.599 5.252 1.00 0.00 N ATOM 940 CA ARG A 60 -7.352 8.586 6.109 1.00 0.00 C ATOM 941 C ARG A 60 -7.790 8.421 7.558 1.00 0.00 C ATOM 942 O ARG A 60 -8.452 9.290 8.124 1.00 0.00 O ATOM 943 CB ARG A 60 -7.672 9.996 5.625 1.00 0.00 C ATOM 944 CG ARG A 60 -7.189 10.275 4.215 1.00 0.00 C ATOM 945 CD ARG A 60 -7.602 11.660 3.760 1.00 0.00 C ATOM 946 NE ARG A 60 -7.007 12.710 4.585 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.224 14.010 4.399 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.023 14.425 3.424 1.00 0.00 N ATOM 949 NH2 ARG A 60 -6.641 14.900 5.193 1.00 0.00 N ATOM 0 H ARG A 60 -9.012 7.563 5.342 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.275 8.426 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.750 10.151 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.219 10.717 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.104 10.184 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.597 9.528 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.305 11.804 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.688 11.744 3.795 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.390 12.430 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.475 13.746 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.185 15.423 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.027 14.587 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.807 15.896 5.051 1.00 0.00 H new ATOM 963 N SER A 61 -7.412 7.298 8.148 1.00 0.00 N ATOM 964 CA SER A 61 -7.757 6.999 9.536 1.00 0.00 C ATOM 965 C SER A 61 -9.242 7.245 9.796 1.00 0.00 C ATOM 966 O SER A 61 -9.613 7.908 10.763 1.00 0.00 O ATOM 967 CB SER A 61 -6.912 7.849 10.487 1.00 0.00 C ATOM 968 OG SER A 61 -5.530 7.590 10.310 1.00 0.00 O ATOM 0 H SER A 61 -6.863 6.572 7.687 1.00 0.00 H new ATOM 0 HA SER A 61 -7.547 5.945 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.113 8.906 10.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.196 7.638 11.518 1.00 0.00 H new ATOM 0 HG SER A 61 -5.011 8.146 10.928 1.00 0.00 H new ATOM 974 N GLY A 62 -10.084 6.708 8.921 1.00 0.00 N ATOM 975 CA GLY A 62 -11.518 6.884 9.067 1.00 0.00 C ATOM 976 C GLY A 62 -12.129 5.909 10.054 1.00 0.00 C ATOM 977 O GLY A 62 -12.459 6.280 11.181 1.00 0.00 O ATOM 0 H GLY A 62 -9.800 6.154 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.723 7.903 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.996 6.759 8.095 1.00 0.00 H new ATOM 981 N ASN A 63 -12.279 4.658 9.631 1.00 0.00 N ATOM 982 CA ASN A 63 -12.857 3.623 10.486 1.00 0.00 C ATOM 983 C ASN A 63 -12.895 2.272 9.777 1.00 0.00 C ATOM 984 O ASN A 63 -13.950 1.646 9.663 1.00 0.00 O ATOM 985 CB ASN A 63 -14.268 4.022 10.942 1.00 0.00 C ATOM 986 CG ASN A 63 -15.257 4.258 9.800 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.815 4.121 8.549 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -16.422 4.566 10.048 1.00 0.00 N flip ATOM 0 H ASN A 63 -12.009 4.335 8.702 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.218 3.527 11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.661 3.240 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.200 4.930 11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.729 4.663 11.016 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.081 4.724 9.286 1.00 0.00 H new ATOM 995 N PHE A 64 -11.736 1.827 9.306 1.00 0.00 N ATOM 996 CA PHE A 64 -11.628 0.552 8.611 1.00 0.00 C ATOM 997 C PHE A 64 -10.478 -0.275 9.176 1.00 0.00 C ATOM 998 O PHE A 64 -9.748 -0.931 8.438 1.00 0.00 O ATOM 999 CB PHE A 64 -11.452 0.781 7.106 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.407 1.808 6.761 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.055 1.526 6.896 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.781 3.064 6.311 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.100 2.475 6.586 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.830 4.016 5.999 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.488 3.722 6.136 1.00 0.00 C ATOM 0 H PHE A 64 -10.855 2.333 9.394 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.550 -0.008 8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.187 -0.165 6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.407 1.093 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.746 0.553 7.248 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.829 3.302 6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.051 2.242 6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.136 4.990 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.743 4.465 5.892 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.338 -0.243 10.496 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.289 -0.998 11.152 1.00 0.00 C ATOM 1017 C GLY A 65 -9.839 -2.118 12.016 1.00 0.00 C ATOM 1018 O GLY A 65 -9.134 -3.080 12.317 1.00 0.00 O ATOM 0 H GLY A 65 -10.935 0.294 11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.621 -1.417 10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.692 -0.326 11.769 1.00 0.00 H new ATOM 1022 N SER A 66 -11.104 -1.992 12.412 1.00 0.00 N ATOM 1023 CA SER A 66 -11.747 -3.000 13.243 1.00 0.00 C ATOM 1024 C SER A 66 -12.968 -3.591 12.545 1.00 0.00 C ATOM 1025 O SER A 66 -13.913 -4.036 13.194 1.00 0.00 O ATOM 1026 CB SER A 66 -12.153 -2.401 14.591 1.00 0.00 C ATOM 1027 OG SER A 66 -12.786 -3.368 15.410 1.00 0.00 O ATOM 0 H SER A 66 -11.701 -1.201 12.170 1.00 0.00 H new ATOM 0 HA SER A 66 -11.028 -3.802 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.271 -2.011 15.099 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.827 -1.559 14.430 1.00 0.00 H new ATOM 0 HG SER A 66 -13.494 -3.815 14.901 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.936 -3.595 11.217 1.00 0.00 N ATOM 1034 CA TYR A 67 -14.036 -4.136 10.425 1.00 0.00 C ATOM 1035 C TYR A 67 -13.522 -4.705 9.101 1.00 0.00 C ATOM 1036 O TYR A 67 -14.278 -4.862 8.144 1.00 0.00 O ATOM 1037 CB TYR A 67 -15.084 -3.049 10.158 1.00 0.00 C ATOM 1038 CG TYR A 67 -16.389 -3.563 9.576 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -16.632 -4.927 9.432 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -17.383 -2.678 9.177 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -17.824 -5.389 8.907 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -18.578 -3.133 8.653 1.00 0.00 C ATOM 1043 CZ TYR A 67 -18.793 -4.488 8.520 1.00 0.00 C ATOM 1044 OH TYR A 67 -19.982 -4.944 7.997 1.00 0.00 O ATOM 0 H TYR A 67 -12.160 -3.230 10.665 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.499 -4.943 10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.297 -2.530 11.092 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.660 -2.314 9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.876 -5.636 9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.219 -1.615 9.278 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.995 -6.450 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.340 -2.430 8.349 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.556 -4.181 7.776 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.227 -5.008 9.055 1.00 0.00 N ATOM 1055 CA VAL A 68 -11.606 -5.553 7.854 1.00 0.00 C ATOM 1056 C VAL A 68 -11.539 -7.082 7.897 1.00 0.00 C ATOM 1057 O VAL A 68 -11.156 -7.719 6.917 1.00 0.00 O ATOM 1058 CB VAL A 68 -10.183 -4.992 7.661 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -9.556 -5.532 6.384 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -10.211 -3.473 7.651 1.00 0.00 C ATOM 0 H VAL A 68 -11.587 -4.884 9.839 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.231 -5.251 7.014 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.567 -5.319 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.553 -5.122 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.500 -6.619 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.166 -5.242 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.199 -3.091 7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.843 -3.126 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.610 -3.110 8.598 1.00 0.00 H new ATOM 1070 N THR A 69 -11.916 -7.665 9.031 1.00 0.00 N ATOM 1071 CA THR A 69 -11.899 -9.112 9.189 1.00 0.00 C ATOM 1072 C THR A 69 -12.929 -9.761 8.284 1.00 0.00 C ATOM 1073 O THR A 69 -12.585 -10.417 7.303 1.00 0.00 O ATOM 1074 CB THR A 69 -12.168 -9.491 10.647 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.189 -8.924 11.498 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.176 -10.985 10.889 1.00 0.00 C ATOM 0 H THR A 69 -12.237 -7.155 9.854 1.00 0.00 H new ATOM 0 HA THR A 69 -10.911 -9.475 8.907 1.00 0.00 H new ATOM 0 HB THR A 69 -13.161 -9.100 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.377 -9.175 12.426 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.372 -11.182 11.943 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.954 -11.448 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.207 -11.403 10.616 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.194 -9.582 8.630 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.290 -10.159 7.857 1.00 0.00 C ATOM 1086 C HIS A 70 -15.020 -11.631 7.530 1.00 0.00 C ATOM 1087 O HIS A 70 -15.593 -12.179 6.588 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.501 -9.363 6.567 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.659 -9.842 5.747 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.956 -9.857 6.215 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -16.712 -10.322 4.482 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -18.757 -10.327 5.274 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.026 -10.616 4.212 1.00 0.00 N ATOM 0 H HIS A 70 -14.491 -9.041 9.442 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.195 -10.107 8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.655 -8.314 6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.594 -9.417 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.876 -10.450 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.826 -10.453 5.359 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.380 -10.996 3.334 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.137 -12.263 8.310 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.785 -13.667 8.103 1.00 0.00 C ATOM 1104 C GLU A 71 -12.905 -13.827 6.867 1.00 0.00 C ATOM 1105 O GLU A 71 -13.118 -14.719 6.046 1.00 0.00 O ATOM 1106 CB GLU A 71 -15.042 -14.535 7.970 1.00 0.00 C ATOM 1107 CG GLU A 71 -15.985 -14.425 9.158 1.00 0.00 C ATOM 1108 CD GLU A 71 -17.221 -15.289 9.003 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -17.975 -15.079 8.030 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -17.434 -16.177 9.856 1.00 0.00 O ATOM 0 H GLU A 71 -13.653 -11.821 9.092 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.226 -14.002 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.577 -14.249 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.743 -15.576 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.455 -14.714 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.286 -13.385 9.283 1.00 0.00 H new ATOM 1117 N THR A 72 -11.911 -12.952 6.747 1.00 0.00 N ATOM 1118 CA THR A 72 -10.989 -12.981 5.619 1.00 0.00 C ATOM 1119 C THR A 72 -9.952 -14.087 5.791 1.00 0.00 C ATOM 1120 O THR A 72 -9.729 -14.884 4.880 1.00 0.00 O ATOM 1121 CB THR A 72 -10.302 -11.622 5.480 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.254 -10.601 5.240 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.285 -11.565 4.363 1.00 0.00 C ATOM 0 H THR A 72 -11.724 -12.211 7.422 1.00 0.00 H new ATOM 0 HA THR A 72 -11.555 -13.191 4.711 1.00 0.00 H new ATOM 0 HB THR A 72 -9.783 -11.471 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.720 -10.385 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.840 -10.571 4.326 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.505 -12.305 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.775 -11.778 3.413 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.325 -14.121 6.969 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.301 -15.122 7.307 1.00 0.00 C ATOM 1133 C LYS A 73 -6.909 -14.685 6.850 1.00 0.00 C ATOM 1134 O LYS A 73 -5.904 -15.091 7.433 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.644 -16.495 6.716 1.00 0.00 C ATOM 1136 CG LYS A 73 -9.977 -17.045 7.195 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.005 -17.190 8.709 1.00 0.00 C ATOM 1138 CE LYS A 73 -11.342 -17.727 9.194 1.00 0.00 C ATOM 1139 NZ LYS A 73 -11.381 -17.862 10.677 1.00 0.00 N ATOM 0 H LYS A 73 -9.511 -13.455 7.719 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.290 -15.206 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.661 -16.420 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.855 -17.201 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.782 -16.382 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.160 -18.014 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.206 -17.860 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.811 -16.222 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.141 -17.060 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.531 -18.698 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.309 -18.231 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.635 -18.518 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.226 -16.931 11.115 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.853 -13.853 5.816 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.581 -13.358 5.295 1.00 0.00 C ATOM 1155 C HIS A 74 -5.715 -11.902 4.877 1.00 0.00 C ATOM 1156 O HIS A 74 -6.459 -11.583 3.949 1.00 0.00 O ATOM 1157 CB HIS A 74 -5.122 -14.200 4.102 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.916 -15.648 4.424 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.938 -16.484 4.822 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.796 -16.409 4.408 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -5.456 -17.695 5.036 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -4.159 -17.677 4.792 1.00 0.00 N ATOM 0 H HIS A 74 -7.674 -13.506 5.320 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.834 -13.436 6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.861 -14.117 3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.190 -13.788 3.716 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.802 -16.080 4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.026 -18.554 5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.529 -18.475 4.875 1.00 0.00 H new ATOM 1171 N PHE A 75 -5.006 -11.012 5.566 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.080 -9.593 5.249 1.00 0.00 C ATOM 1173 C PHE A 75 -3.910 -8.818 5.844 1.00 0.00 C ATOM 1174 O PHE A 75 -2.997 -9.394 6.436 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.401 -9.016 5.764 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.580 -9.142 7.253 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.780 -8.422 8.129 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.544 -9.988 7.775 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.944 -8.542 9.496 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.711 -10.113 9.141 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.910 -9.389 10.003 1.00 0.00 C ATOM 0 H PHE A 75 -4.382 -11.246 6.338 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.029 -9.490 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.459 -7.963 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.227 -9.522 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.021 -7.761 7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.173 -10.557 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.317 -7.974 10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.467 -10.776 9.535 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.039 -9.485 11.071 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.961 -7.501 5.681 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.924 -6.615 6.194 1.00 0.00 C ATOM 1193 C ILE A 76 -3.445 -5.190 6.321 1.00 0.00 C ATOM 1194 O ILE A 76 -4.423 -4.806 5.679 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.663 -6.635 5.302 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.700 -5.497 5.666 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -2.047 -6.561 3.834 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.570 -5.492 4.845 1.00 0.00 C ATOM 0 H ILE A 76 -4.717 -7.020 5.193 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.647 -6.983 7.182 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.145 -7.577 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.211 -4.544 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.440 -5.576 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.146 -6.576 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.674 -7.415 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.597 -5.638 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.202 -4.661 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.104 -6.430 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.321 -5.382 3.790 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.774 -4.420 7.159 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.144 -3.030 7.397 1.00 0.00 C ATOM 1212 C TYR A 77 -1.910 -2.215 7.754 1.00 0.00 C ATOM 1213 O TYR A 77 -1.200 -2.535 8.707 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.171 -2.950 8.533 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.764 -1.573 8.744 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -3.960 -0.476 9.035 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.135 -1.374 8.654 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.507 0.775 9.233 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.689 -0.122 8.850 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.871 0.948 9.139 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.421 2.194 9.337 1.00 0.00 O ATOM 0 H TYR A 77 -1.963 -4.734 7.692 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.586 -2.621 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.979 -3.652 8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.696 -3.274 9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.890 -0.606 9.107 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.779 -2.210 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.869 1.616 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.758 0.016 8.777 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.870 2.698 9.972 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.651 -1.163 6.988 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.488 -0.321 7.249 1.00 0.00 C ATOM 1233 C PHE A 78 -0.781 1.159 7.008 1.00 0.00 C ATOM 1234 O PHE A 78 -1.507 1.521 6.081 1.00 0.00 O ATOM 1235 CB PHE A 78 0.706 -0.778 6.404 1.00 0.00 C ATOM 1236 CG PHE A 78 0.455 -0.758 4.921 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.275 0.438 4.249 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.404 -1.942 4.200 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.050 0.457 2.885 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.177 -1.930 2.837 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.001 -0.729 2.178 1.00 0.00 C ATOM 0 H PHE A 78 -2.220 -0.874 6.192 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.239 -0.432 8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.560 -0.138 6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.981 -1.790 6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.311 1.368 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.543 -2.884 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.087 1.398 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.137 -2.859 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.175 -0.717 1.112 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.203 2.006 7.860 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.382 3.452 7.766 1.00 0.00 C ATOM 1253 C TYR A 79 0.755 4.096 6.979 1.00 0.00 C ATOM 1254 O TYR A 79 1.846 3.536 6.868 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.446 4.074 9.164 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.706 3.748 9.937 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.946 4.209 9.509 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.654 2.988 11.097 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.098 3.921 10.218 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.801 2.694 11.811 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.019 3.163 11.366 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.163 2.873 12.075 1.00 0.00 O ATOM 0 H TYR A 79 0.398 1.710 8.629 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.320 3.636 7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.416 3.735 9.739 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.362 5.157 9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.011 4.802 8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.701 2.620 11.448 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.054 4.288 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.743 2.101 12.712 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.811 3.600 11.962 1.00 0.00 H new ATOM 1272 N LEU A 80 0.489 5.285 6.451 1.00 0.00 N ATOM 1273 CA LEU A 80 1.476 6.033 5.685 1.00 0.00 C ATOM 1274 C LEU A 80 1.400 7.507 6.059 1.00 0.00 C ATOM 1275 O LEU A 80 0.836 8.317 5.324 1.00 0.00 O ATOM 1276 CB LEU A 80 1.236 5.871 4.180 1.00 0.00 C ATOM 1277 CG LEU A 80 1.067 4.431 3.689 1.00 0.00 C ATOM 1278 CD1 LEU A 80 -0.284 3.874 4.117 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.221 4.360 2.177 1.00 0.00 C ATOM 0 H LEU A 80 -0.412 5.755 6.541 1.00 0.00 H new ATOM 0 HA LEU A 80 2.466 5.643 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.343 6.435 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.072 6.322 3.646 1.00 0.00 H new ATOM 0 HG LEU A 80 1.848 3.820 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.385 2.850 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.355 3.887 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.080 4.487 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.098 3.329 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.464 4.985 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.212 4.715 1.895 1.00 0.00 H new ATOM 1291 N GLY A 81 1.949 7.845 7.220 1.00 0.00 N ATOM 1292 CA GLY A 81 1.905 9.219 7.679 1.00 0.00 C ATOM 1293 C GLY A 81 0.530 9.588 8.198 1.00 0.00 C ATOM 1294 O GLY A 81 0.305 9.638 9.407 1.00 0.00 O ATOM 0 H GLY A 81 2.421 7.195 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.644 9.364 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.177 9.886 6.861 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.397 9.828 7.276 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.766 10.176 7.633 1.00 0.00 C ATOM 1300 C GLN A 82 -2.770 9.277 6.910 1.00 0.00 C ATOM 1301 O GLN A 82 -3.968 9.332 7.180 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.056 11.638 7.298 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.162 12.624 8.032 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.486 14.067 7.695 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -1.397 14.482 6.539 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.866 14.839 8.706 1.00 0.00 N ATOM 0 H GLN A 82 -0.223 9.787 6.272 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.873 10.027 8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.939 11.785 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.096 11.857 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.266 12.473 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.121 12.421 7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.926 14.453 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.098 15.818 8.541 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.277 8.449 5.990 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.138 7.549 5.237 1.00 0.00 C ATOM 1317 C VAL A 83 -3.126 6.159 5.860 1.00 0.00 C ATOM 1318 O VAL A 83 -2.171 5.781 6.535 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.691 7.439 3.764 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.785 6.829 2.902 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.273 8.800 3.224 1.00 0.00 C ATOM 0 H VAL A 83 -1.287 8.385 5.751 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.146 7.963 5.269 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.827 6.776 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.441 6.764 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.023 5.830 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.676 7.454 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.962 8.699 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.115 9.490 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.443 9.187 3.815 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.187 5.403 5.628 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.290 4.056 6.163 1.00 0.00 C ATOM 1333 C ALA A 84 -4.825 3.099 5.106 1.00 0.00 C ATOM 1334 O ALA A 84 -5.988 3.182 4.713 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.178 4.043 7.396 1.00 0.00 C ATOM 0 H ALA A 84 -4.989 5.700 5.072 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.294 3.722 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.245 3.027 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.752 4.696 8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.174 4.397 7.131 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.971 2.191 4.651 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.364 1.222 3.642 1.00 0.00 C ATOM 1343 C ILE A 85 -4.648 -0.127 4.271 1.00 0.00 C ATOM 1344 O ILE A 85 -4.040 -0.506 5.271 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.292 1.075 2.539 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.437 2.210 1.529 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.397 -0.274 1.836 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.408 2.171 0.420 1.00 0.00 C ATOM 0 H ILE A 85 -3.004 2.107 4.965 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.276 1.596 3.177 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.309 1.128 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.434 2.169 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.359 3.163 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.628 -0.344 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.257 -1.075 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.381 -0.369 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.573 3.007 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.408 2.243 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.500 1.234 -0.129 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.582 -0.846 3.674 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.954 -2.159 4.177 1.00 0.00 C ATOM 1362 C LEU A 86 -6.223 -3.133 3.034 1.00 0.00 C ATOM 1363 O LEU A 86 -7.133 -2.934 2.232 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.192 -2.059 5.074 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.443 -1.478 4.406 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.646 -1.606 5.326 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.219 -0.022 4.027 1.00 0.00 C ATOM 0 H LEU A 86 -6.095 -0.546 2.845 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.116 -2.538 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.430 -3.055 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.944 -1.444 5.939 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.641 -2.045 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.525 -1.188 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.821 -2.658 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.455 -1.064 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.118 0.373 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.996 0.557 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.382 0.048 3.332 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.429 -4.195 2.977 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.580 -5.216 1.947 1.00 0.00 C ATOM 1381 C LEU A 87 -6.012 -6.534 2.580 1.00 0.00 C ATOM 1382 O LEU A 87 -5.536 -6.896 3.654 1.00 0.00 O ATOM 1383 CB LEU A 87 -4.264 -5.377 1.178 1.00 0.00 C ATOM 1384 CG LEU A 87 -4.179 -6.598 0.259 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -3.194 -6.342 -0.870 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.754 -7.823 1.053 1.00 0.00 C ATOM 0 H LEU A 87 -4.670 -4.372 3.635 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.352 -4.910 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.103 -4.481 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.447 -5.429 1.898 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.164 -6.779 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.144 -7.219 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.523 -5.481 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.207 -6.142 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.697 -8.685 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.776 -7.645 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.483 -8.018 1.839 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.928 -7.243 1.927 1.00 0.00 N ATOM 1399 CA PHE A 88 -7.419 -8.505 2.464 1.00 0.00 C ATOM 1400 C PHE A 88 -8.065 -9.367 1.379 1.00 0.00 C ATOM 1401 O PHE A 88 -8.683 -8.856 0.447 1.00 0.00 O ATOM 1402 CB PHE A 88 -8.430 -8.233 3.580 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.696 -7.572 3.107 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -10.639 -8.285 2.386 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.938 -6.236 3.382 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -11.803 -7.681 1.951 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.100 -5.626 2.949 1.00 0.00 C ATOM 1408 CZ PHE A 88 -12.035 -6.349 2.233 1.00 0.00 C ATOM 0 H PHE A 88 -7.341 -6.968 1.036 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.566 -9.054 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.683 -9.176 4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.962 -7.601 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.462 -9.326 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.211 -5.665 3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.531 -8.250 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.277 -4.584 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.944 -5.874 1.895 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.926 -10.679 1.524 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.497 -11.630 0.580 1.00 0.00 C ATOM 1420 C LYS A 89 -9.462 -12.566 1.298 1.00 0.00 C ATOM 1421 O LYS A 89 -9.048 -13.451 2.046 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.370 -12.411 -0.107 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.776 -13.734 -0.730 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.657 -13.525 -1.942 1.00 0.00 C ATOM 1425 CE LYS A 89 -8.531 -14.683 -2.915 1.00 0.00 C ATOM 1426 NZ LYS A 89 -8.767 -15.997 -2.255 1.00 0.00 N ATOM 0 H LYS A 89 -7.417 -11.111 2.295 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.059 -11.094 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.937 -11.781 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.584 -12.600 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.885 -14.291 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.305 -14.338 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.695 -13.422 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.381 -12.596 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.245 -14.552 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.536 -14.675 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.925 -16.597 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.956 -15.848 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.585 -16.465 -2.695 1.00 0.00 H new ATOM 1440 N SER A 90 -10.754 -12.357 1.066 1.00 0.00 N ATOM 1441 CA SER A 90 -11.784 -13.176 1.694 1.00 0.00 C ATOM 1442 C SER A 90 -12.182 -14.336 0.790 1.00 0.00 C ATOM 1443 O SER A 90 -13.319 -14.807 0.829 1.00 0.00 O ATOM 1444 CB SER A 90 -13.012 -12.324 2.022 1.00 0.00 C ATOM 1445 OG SER A 90 -14.026 -13.106 2.629 1.00 0.00 O ATOM 0 H SER A 90 -11.112 -11.628 0.448 1.00 0.00 H new ATOM 0 HA SER A 90 -11.376 -13.584 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.727 -11.511 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.397 -11.868 1.110 1.00 0.00 H new ATOM 0 HG SER A 90 -14.237 -13.871 2.054 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.238 -14.790 -0.024 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.508 -15.891 -0.928 1.00 0.00 C ATOM 1453 C GLY A 91 -10.946 -17.208 -0.423 1.00 0.00 C ATOM 1454 O GLY A 91 -9.980 -17.174 0.368 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.473 -18.267 -0.817 1.00 0.00 O ATOM 0 H GLY A 91 -10.290 -14.416 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.585 -15.988 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.080 -15.668 -1.905 1.00 0.00 H new