USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 686 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 42:sc= 1.19 USER MOD Single : A -1 SER OG : rot 68:sc= 0.66 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 55:sc= 0.0707 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 0:sc= 0.661 USER MOD Single : A 18 HIS : no HD1:sc= 0.00223 X(o=0.0022,f=-0.25) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 129:sc= -1.66! USER MOD Single : A 33 ASN : amide:sc= -0.0697 X(o=-0.07,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.535 (180deg=-0.172) USER MOD Single : A 37 CYS SG : rot 31:sc= 0.0136 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.06 (180deg=-0.386) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 44 SER OG : rot -26:sc= 0.275 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -2.78! USER MOD Single : A 74 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -16.679 -0.378 -1.141 1.00 1.31 N ATOM 2 CA GLY A -2 -16.132 0.817 -1.830 1.00 43.14 C ATOM 3 C GLY A -2 -16.168 2.050 -0.947 1.00 61.13 C ATOM 4 O GLY A -2 -17.209 2.699 -0.817 1.00 72.03 O ATOM 0 H1 GLY A -2 -16.635 -1.197 -1.780 1.00 1.31 H new ATOM 0 H2 GLY A -2 -16.118 -0.574 -0.288 1.00 1.31 H new ATOM 0 H3 GLY A -2 -17.668 -0.201 -0.872 1.00 1.31 H new ATOM 0 HA2 GLY A -2 -15.104 0.620 -2.136 1.00 43.14 H new ATOM 0 HA3 GLY A -2 -16.704 1.005 -2.738 1.00 43.14 H new ATOM 10 N SER A -1 -15.029 2.358 -0.331 1.00 33.14 N ATOM 11 CA SER A -1 -14.887 3.512 0.549 1.00 45.43 C ATOM 12 C SER A -1 -13.500 4.123 0.385 1.00 5.30 C ATOM 13 O SER A -1 -12.598 3.451 -0.099 1.00 52.32 O ATOM 14 CB SER A -1 -15.137 3.084 2.001 1.00 20.05 C ATOM 15 OG SER A -1 -14.423 1.896 2.327 1.00 64.24 O ATOM 0 H SER A -1 -14.175 1.810 -0.430 1.00 33.14 H new ATOM 0 HA SER A -1 -15.623 4.271 0.282 1.00 45.43 H new ATOM 0 HB2 SER A -1 -14.836 3.886 2.675 1.00 20.05 H new ATOM 0 HB3 SER A -1 -16.204 2.922 2.155 1.00 20.05 H new ATOM 0 HG SER A -1 -13.462 2.085 2.339 1.00 64.24 H new ATOM 21 N HIS A 0 -13.344 5.410 0.726 1.00 65.33 N ATOM 22 CA HIS A 0 -12.035 6.087 0.673 1.00 15.32 C ATOM 23 C HIS A 0 -11.906 7.084 1.831 1.00 75.11 C ATOM 24 O HIS A 0 -12.723 8.002 1.958 1.00 14.03 O ATOM 25 CB HIS A 0 -11.819 6.831 -0.671 1.00 61.44 C ATOM 26 CG HIS A 0 -11.670 5.938 -1.874 1.00 52.14 C ATOM 27 ND1 HIS A 0 -12.612 5.858 -2.875 1.00 0.34 N ATOM 28 CD2 HIS A 0 -10.687 5.074 -2.221 1.00 12.31 C ATOM 29 CE1 HIS A 0 -12.215 4.981 -3.779 1.00 42.11 C ATOM 30 NE2 HIS A 0 -11.050 4.478 -3.405 1.00 51.12 N ATOM 0 H HIS A 0 -14.108 6.007 1.043 1.00 65.33 H new ATOM 0 HA HIS A 0 -11.270 5.315 0.760 1.00 15.32 H new ATOM 0 HB2 HIS A 0 -12.662 7.502 -0.837 1.00 61.44 H new ATOM 0 HB3 HIS A 0 -10.928 7.453 -0.586 1.00 61.44 H new ATOM 0 HD2 HIS A 0 -9.779 4.887 -1.666 1.00 12.31 H new ATOM 0 HE1 HIS A 0 -12.754 4.717 -4.677 1.00 42.11 H new ATOM 0 HE2 HIS A 0 -10.514 3.771 -3.908 1.00 51.12 H new ATOM 39 N MET A 1 -10.892 6.894 2.683 1.00 73.12 N ATOM 40 CA MET A 1 -10.648 7.795 3.822 1.00 41.12 C ATOM 41 C MET A 1 -9.167 8.153 3.947 1.00 32.11 C ATOM 42 O MET A 1 -8.323 7.591 3.246 1.00 41.43 O ATOM 43 CB MET A 1 -11.159 7.172 5.134 1.00 45.44 C ATOM 44 CG MET A 1 -12.661 7.305 5.330 1.00 11.35 C ATOM 45 SD MET A 1 -13.259 6.392 6.763 1.00 41.34 S ATOM 46 CE MET A 1 -15.006 6.755 6.669 1.00 14.42 C ATOM 0 H MET A 1 -10.226 6.125 2.608 1.00 73.12 H new ATOM 0 HA MET A 1 -11.202 8.715 3.633 1.00 41.12 H new ATOM 0 HB2 MET A 1 -10.891 6.116 5.153 1.00 45.44 H new ATOM 0 HB3 MET A 1 -10.649 7.645 5.973 1.00 45.44 H new ATOM 0 HG2 MET A 1 -12.917 8.359 5.443 1.00 11.35 H new ATOM 0 HG3 MET A 1 -13.173 6.947 4.437 1.00 11.35 H new ATOM 0 HE1 MET A 1 -15.525 6.261 7.491 1.00 14.42 H new ATOM 0 HE2 MET A 1 -15.158 7.832 6.739 1.00 14.42 H new ATOM 0 HE3 MET A 1 -15.402 6.393 5.720 1.00 14.42 H new ATOM 56 N VAL A 2 -8.862 9.102 4.838 1.00 3.53 N ATOM 57 CA VAL A 2 -7.484 9.570 5.031 1.00 4.40 C ATOM 58 C VAL A 2 -6.799 8.838 6.189 1.00 25.32 C ATOM 59 O VAL A 2 -7.443 8.464 7.174 1.00 24.11 O ATOM 60 CB VAL A 2 -7.389 11.112 5.249 1.00 23.34 C ATOM 61 CG1 VAL A 2 -7.826 11.860 3.996 1.00 3.42 C ATOM 62 CG2 VAL A 2 -8.210 11.568 6.453 1.00 3.04 C ATOM 0 H VAL A 2 -9.549 9.561 5.436 1.00 3.53 H new ATOM 0 HA VAL A 2 -6.961 9.337 4.103 1.00 4.40 H new ATOM 0 HB VAL A 2 -6.344 11.346 5.454 1.00 23.34 H new ATOM 0 HG11 VAL A 2 -7.752 12.934 4.169 1.00 3.42 H new ATOM 0 HG12 VAL A 2 -7.181 11.582 3.163 1.00 3.42 H new ATOM 0 HG13 VAL A 2 -8.858 11.601 3.759 1.00 3.42 H new ATOM 0 HG21 VAL A 2 -8.116 12.648 6.569 1.00 3.04 H new ATOM 0 HG22 VAL A 2 -9.257 11.309 6.298 1.00 3.04 H new ATOM 0 HG23 VAL A 2 -7.843 11.073 7.352 1.00 3.04 H new ATOM 72 N ILE A 3 -5.489 8.617 6.048 1.00 63.33 N ATOM 73 CA ILE A 3 -4.696 7.955 7.091 1.00 44.11 C ATOM 74 C ILE A 3 -3.456 8.780 7.450 1.00 51.53 C ATOM 75 O ILE A 3 -2.871 9.447 6.589 1.00 33.22 O ATOM 76 CB ILE A 3 -4.249 6.516 6.689 1.00 71.35 C ATOM 77 CG1 ILE A 3 -3.579 6.502 5.296 1.00 65.51 C ATOM 78 CG2 ILE A 3 -5.439 5.553 6.744 1.00 0.54 C ATOM 79 CD1 ILE A 3 -2.884 5.201 4.951 1.00 54.14 C ATOM 0 H ILE A 3 -4.954 8.886 5.222 1.00 63.33 H new ATOM 0 HA ILE A 3 -5.352 7.876 7.958 1.00 44.11 H new ATOM 0 HB ILE A 3 -3.503 6.179 7.408 1.00 71.35 H new ATOM 0 HG12 ILE A 3 -4.336 6.707 4.540 1.00 65.51 H new ATOM 0 HG13 ILE A 3 -2.852 7.313 5.247 1.00 65.51 H new ATOM 0 HG21 ILE A 3 -5.111 4.553 6.461 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.842 5.530 7.757 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -6.212 5.890 6.054 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -2.441 5.277 3.958 1.00 54.14 H new ATOM 0 HD12 ILE A 3 -2.101 5.002 5.683 1.00 54.14 H new ATOM 0 HD13 ILE A 3 -3.609 4.387 4.964 1.00 54.14 H new ATOM 91 N ARG A 4 -3.069 8.738 8.725 1.00 2.41 N ATOM 92 CA ARG A 4 -1.855 9.393 9.199 1.00 52.42 C ATOM 93 C ARG A 4 -1.196 8.552 10.284 1.00 73.20 C ATOM 94 O ARG A 4 -1.867 8.171 11.253 1.00 54.15 O ATOM 95 CB ARG A 4 -2.161 10.793 9.743 1.00 50.34 C ATOM 96 CG ARG A 4 -1.970 11.903 8.726 1.00 5.34 C ATOM 97 CD ARG A 4 -2.478 13.254 9.238 1.00 70.11 C ATOM 98 NE ARG A 4 -2.155 14.348 8.310 1.00 70.42 N ATOM 99 CZ ARG A 4 -2.998 14.847 7.380 1.00 2.23 C ATOM 100 NH1 ARG A 4 -4.228 14.350 7.227 1.00 44.21 N ATOM 101 NH2 ARG A 4 -2.605 15.849 6.599 1.00 11.23 N ATOM 0 H ARG A 4 -3.588 8.250 9.455 1.00 2.41 H new ATOM 0 HA ARG A 4 -1.173 9.493 8.354 1.00 52.42 H new ATOM 0 HB2 ARG A 4 -3.190 10.816 10.102 1.00 50.34 H new ATOM 0 HB3 ARG A 4 -1.519 10.987 10.602 1.00 50.34 H new ATOM 0 HG2 ARG A 4 -0.912 11.986 8.476 1.00 5.34 H new ATOM 0 HG3 ARG A 4 -2.495 11.645 7.806 1.00 5.34 H new ATOM 0 HD2 ARG A 4 -3.558 13.206 9.381 1.00 70.11 H new ATOM 0 HD3 ARG A 4 -2.037 13.462 10.213 1.00 70.11 H new ATOM 0 HE ARG A 4 -1.225 14.761 8.373 1.00 70.42 H new ATOM 0 HH11 ARG A 4 -4.544 13.581 7.818 1.00 44.21 H new ATOM 0 HH12 ARG A 4 -4.851 14.739 6.519 1.00 44.21 H new ATOM 0 HH21 ARG A 4 -1.668 16.239 6.703 1.00 11.23 H new ATOM 0 HH22 ARG A 4 -3.240 16.227 5.896 1.00 11.23 H new ATOM 115 N GLU A 5 0.115 8.268 10.077 1.00 21.50 N ATOM 116 CA GLU A 5 0.978 7.495 11.000 1.00 13.12 C ATOM 117 C GLU A 5 0.443 6.072 11.234 1.00 63.45 C ATOM 118 O GLU A 5 -0.210 5.787 12.241 1.00 31.33 O ATOM 119 CB GLU A 5 1.181 8.241 12.338 1.00 31.14 C ATOM 120 CG GLU A 5 1.882 9.600 12.198 1.00 0.41 C ATOM 121 CD GLU A 5 2.056 10.342 13.520 1.00 15.44 C ATOM 122 OE1 GLU A 5 1.066 10.915 14.014 1.00 44.35 O ATOM 123 OE2 GLU A 5 3.189 10.390 14.045 1.00 52.33 O ATOM 0 H GLU A 5 0.611 8.579 9.242 1.00 21.50 H new ATOM 0 HA GLU A 5 1.951 7.398 10.519 1.00 13.12 H new ATOM 0 HB2 GLU A 5 0.209 8.392 12.808 1.00 31.14 H new ATOM 0 HB3 GLU A 5 1.765 7.610 13.008 1.00 31.14 H new ATOM 0 HG2 GLU A 5 2.862 9.448 11.746 1.00 0.41 H new ATOM 0 HG3 GLU A 5 1.309 10.225 11.514 1.00 0.41 H new ATOM 130 N SER A 6 0.709 5.182 10.274 1.00 44.52 N ATOM 131 CA SER A 6 0.193 3.821 10.333 1.00 52.43 C ATOM 132 C SER A 6 1.264 2.826 9.882 1.00 73.11 C ATOM 133 O SER A 6 2.185 3.184 9.138 1.00 23.31 O ATOM 134 CB SER A 6 -1.067 3.700 9.461 1.00 4.12 C ATOM 135 OG SER A 6 -1.948 2.729 9.995 1.00 41.11 O ATOM 0 H SER A 6 1.277 5.383 9.451 1.00 44.52 H new ATOM 0 HA SER A 6 -0.075 3.587 11.363 1.00 52.43 H new ATOM 0 HB2 SER A 6 -1.571 4.665 9.404 1.00 4.12 H new ATOM 0 HB3 SER A 6 -0.788 3.426 8.444 1.00 4.12 H new ATOM 0 HG SER A 6 -2.746 2.665 9.430 1.00 41.11 H new ATOM 141 N VAL A 7 1.135 1.575 10.342 1.00 73.35 N ATOM 142 CA VAL A 7 2.103 0.513 10.020 1.00 31.11 C ATOM 143 C VAL A 7 1.455 -0.537 9.100 1.00 61.22 C ATOM 144 O VAL A 7 0.638 -1.354 9.548 1.00 3.11 O ATOM 145 CB VAL A 7 2.656 -0.199 11.294 1.00 63.23 C ATOM 146 CG1 VAL A 7 3.923 -0.981 10.970 1.00 13.04 C ATOM 147 CG2 VAL A 7 2.917 0.788 12.429 1.00 3.11 C ATOM 0 H VAL A 7 0.367 1.271 10.941 1.00 73.35 H new ATOM 0 HA VAL A 7 2.940 0.995 9.515 1.00 31.11 H new ATOM 0 HB VAL A 7 1.889 -0.896 11.632 1.00 63.23 H new ATOM 0 HG11 VAL A 7 4.290 -1.469 11.873 1.00 13.04 H new ATOM 0 HG12 VAL A 7 3.702 -1.735 10.214 1.00 13.04 H new ATOM 0 HG13 VAL A 7 4.684 -0.299 10.591 1.00 13.04 H new ATOM 0 HG21 VAL A 7 3.301 0.251 13.297 1.00 3.11 H new ATOM 0 HG22 VAL A 7 3.650 1.528 12.106 1.00 3.11 H new ATOM 0 HG23 VAL A 7 1.987 1.290 12.695 1.00 3.11 H new ATOM 157 N SER A 8 1.827 -0.495 7.824 1.00 72.32 N ATOM 158 CA SER A 8 1.266 -1.379 6.801 1.00 3.23 C ATOM 159 C SER A 8 1.973 -2.756 6.795 1.00 63.53 C ATOM 160 O SER A 8 3.183 -2.832 6.609 1.00 44.54 O ATOM 161 CB SER A 8 1.407 -0.649 5.456 1.00 31.04 C ATOM 162 OG SER A 8 1.352 -1.517 4.341 1.00 30.40 O ATOM 0 H SER A 8 2.528 0.154 7.467 1.00 72.32 H new ATOM 0 HA SER A 8 0.217 -1.592 7.004 1.00 3.23 H new ATOM 0 HB2 SER A 8 0.614 0.094 5.369 1.00 31.04 H new ATOM 0 HB3 SER A 8 2.354 -0.109 5.441 1.00 31.04 H new ATOM 0 HG SER A 8 0.645 -2.181 4.478 1.00 30.40 H new ATOM 168 N ARG A 9 1.194 -3.838 6.985 1.00 63.42 N ATOM 169 CA ARG A 9 1.743 -5.205 7.097 1.00 41.44 C ATOM 170 C ARG A 9 0.825 -6.267 6.446 1.00 4.34 C ATOM 171 O ARG A 9 -0.366 -6.055 6.332 1.00 33.52 O ATOM 172 CB ARG A 9 2.012 -5.533 8.580 1.00 1.45 C ATOM 173 CG ARG A 9 0.807 -5.318 9.483 1.00 1.14 C ATOM 174 CD ARG A 9 1.203 -5.311 10.952 1.00 44.45 C ATOM 175 NE ARG A 9 0.992 -3.998 11.583 1.00 10.45 N ATOM 176 CZ ARG A 9 1.427 -3.664 12.813 1.00 52.25 C ATOM 177 NH1 ARG A 9 2.117 -4.532 13.555 1.00 24.43 N ATOM 178 NH2 ARG A 9 1.160 -2.462 13.309 1.00 4.03 N ATOM 0 H ARG A 9 0.178 -3.792 7.065 1.00 63.42 H new ATOM 0 HA ARG A 9 2.682 -5.236 6.545 1.00 41.44 H new ATOM 0 HB2 ARG A 9 2.334 -6.571 8.660 1.00 1.45 H new ATOM 0 HB3 ARG A 9 2.836 -4.915 8.936 1.00 1.45 H new ATOM 0 HG2 ARG A 9 0.326 -4.373 9.231 1.00 1.14 H new ATOM 0 HG3 ARG A 9 0.074 -6.105 9.307 1.00 1.14 H new ATOM 0 HD2 ARG A 9 0.624 -6.065 11.485 1.00 44.45 H new ATOM 0 HD3 ARG A 9 2.252 -5.591 11.044 1.00 44.45 H new ATOM 0 HE ARG A 9 0.481 -3.293 11.052 1.00 10.45 H new ATOM 0 HH11 ARG A 9 2.322 -5.463 13.192 1.00 24.43 H new ATOM 0 HH12 ARG A 9 2.440 -4.264 14.485 1.00 24.43 H new ATOM 0 HH21 ARG A 9 0.625 -1.790 12.758 1.00 4.03 H new ATOM 0 HH22 ARG A 9 1.490 -2.210 14.241 1.00 4.03 H new ATOM 192 N ILE A 10 1.402 -7.412 6.042 1.00 52.12 N ATOM 193 CA ILE A 10 0.658 -8.525 5.399 1.00 1.24 C ATOM 194 C ILE A 10 0.694 -9.761 6.296 1.00 74.54 C ATOM 195 O ILE A 10 1.761 -10.094 6.843 1.00 14.41 O ATOM 196 CB ILE A 10 1.254 -8.940 4.003 1.00 15.22 C ATOM 197 CG1 ILE A 10 1.199 -7.771 3.005 1.00 60.40 C ATOM 198 CG2 ILE A 10 0.532 -10.173 3.422 1.00 23.14 C ATOM 199 CD1 ILE A 10 1.360 -8.172 1.541 1.00 15.12 C ATOM 0 H ILE A 10 2.399 -7.598 6.149 1.00 52.12 H new ATOM 0 HA ILE A 10 -0.358 -8.161 5.249 1.00 1.24 H new ATOM 0 HB ILE A 10 2.298 -9.206 4.167 1.00 15.22 H new ATOM 0 HG12 ILE A 10 0.246 -7.255 3.123 1.00 60.40 H new ATOM 0 HG13 ILE A 10 1.982 -7.057 3.260 1.00 60.40 H new ATOM 0 HG21 ILE A 10 0.970 -10.430 2.458 1.00 23.14 H new ATOM 0 HG22 ILE A 10 0.641 -11.014 4.106 1.00 23.14 H new ATOM 0 HG23 ILE A 10 -0.526 -9.947 3.291 1.00 23.14 H new ATOM 0 HD11 ILE A 10 1.308 -7.283 0.912 1.00 15.12 H new ATOM 0 HD12 ILE A 10 2.325 -8.659 1.401 1.00 15.12 H new ATOM 0 HD13 ILE A 10 0.562 -8.861 1.262 1.00 15.12 H new ATOM 211 N TYR A 11 -0.479 -10.424 6.411 1.00 52.31 N ATOM 212 CA TYR A 11 -0.627 -11.655 7.182 1.00 44.50 C ATOM 213 C TYR A 11 -0.746 -12.852 6.229 1.00 33.53 C ATOM 214 O TYR A 11 -1.690 -12.942 5.416 1.00 21.13 O ATOM 215 CB TYR A 11 -1.872 -11.557 8.072 1.00 0.31 C ATOM 216 CG TYR A 11 -1.954 -12.583 9.197 1.00 30.23 C ATOM 217 CD1 TYR A 11 -2.402 -13.887 8.973 1.00 63.13 C ATOM 218 CD2 TYR A 11 -1.609 -12.231 10.494 1.00 4.40 C ATOM 219 CE1 TYR A 11 -2.486 -14.801 10.008 1.00 63.54 C ATOM 220 CE2 TYR A 11 -1.689 -13.142 11.533 1.00 31.42 C ATOM 221 CZ TYR A 11 -2.132 -14.422 11.286 1.00 60.25 C ATOM 222 OH TYR A 11 -2.218 -15.332 12.317 1.00 24.53 O ATOM 0 H TYR A 11 -1.343 -10.111 5.968 1.00 52.31 H new ATOM 0 HA TYR A 11 0.249 -11.796 7.814 1.00 44.50 H new ATOM 0 HB2 TYR A 11 -1.907 -10.559 8.510 1.00 0.31 H new ATOM 0 HB3 TYR A 11 -2.756 -11.661 7.443 1.00 0.31 H new ATOM 0 HD1 TYR A 11 -2.687 -14.187 7.975 1.00 63.13 H new ATOM 0 HD2 TYR A 11 -1.271 -11.226 10.697 1.00 4.40 H new ATOM 0 HE1 TYR A 11 -2.827 -15.807 9.816 1.00 63.54 H new ATOM 0 HE2 TYR A 11 -1.405 -12.850 12.533 1.00 31.42 H new ATOM 0 HH TYR A 11 -1.699 -16.132 12.091 1.00 24.53 H new ATOM 232 N VAL A 12 0.224 -13.760 6.325 1.00 43.35 N ATOM 233 CA VAL A 12 0.215 -14.994 5.535 1.00 4.32 C ATOM 234 C VAL A 12 0.195 -16.204 6.476 1.00 22.02 C ATOM 235 O VAL A 12 1.173 -16.475 7.133 1.00 5.44 O ATOM 236 CB VAL A 12 1.459 -15.084 4.592 1.00 4.33 C ATOM 237 CG1 VAL A 12 1.446 -16.352 3.751 1.00 71.32 C ATOM 238 CG2 VAL A 12 1.569 -13.865 3.689 1.00 24.05 C ATOM 0 H VAL A 12 1.029 -13.665 6.944 1.00 43.35 H new ATOM 0 HA VAL A 12 -0.679 -14.989 4.912 1.00 4.32 H new ATOM 0 HB VAL A 12 2.334 -15.115 5.241 1.00 4.33 H new ATOM 0 HG11 VAL A 12 2.328 -16.373 3.111 1.00 71.32 H new ATOM 0 HG12 VAL A 12 1.452 -17.223 4.406 1.00 71.32 H new ATOM 0 HG13 VAL A 12 0.549 -16.369 3.133 1.00 71.32 H new ATOM 0 HG21 VAL A 12 2.445 -13.964 3.049 1.00 24.05 H new ATOM 0 HG22 VAL A 12 0.675 -13.788 3.071 1.00 24.05 H new ATOM 0 HG23 VAL A 12 1.666 -12.967 4.300 1.00 24.05 H new ATOM 248 N GLY A 13 -0.917 -16.916 6.537 1.00 14.24 N ATOM 249 CA GLY A 13 -1.016 -18.069 7.424 1.00 21.54 C ATOM 250 C GLY A 13 -1.375 -19.360 6.707 1.00 50.35 C ATOM 251 O GLY A 13 -1.932 -19.329 5.610 1.00 74.32 O ATOM 0 H GLY A 13 -1.757 -16.722 5.991 1.00 14.24 H new ATOM 0 HA2 GLY A 13 -0.065 -18.202 7.940 1.00 21.54 H new ATOM 0 HA3 GLY A 13 -1.767 -17.866 8.187 1.00 21.54 H new ATOM 255 N ASN A 14 -1.013 -20.504 7.342 1.00 11.20 N ATOM 256 CA ASN A 14 -1.443 -21.863 6.918 1.00 61.30 C ATOM 257 C ASN A 14 -1.003 -22.192 5.474 1.00 43.42 C ATOM 258 O ASN A 14 -1.673 -22.947 4.768 1.00 22.15 O ATOM 259 CB ASN A 14 -2.979 -21.993 7.040 1.00 73.32 C ATOM 260 CG ASN A 14 -3.531 -21.671 8.420 1.00 72.22 C ATOM 261 OD1 ASN A 14 -3.882 -20.528 8.710 1.00 51.22 O ATOM 262 ND2 ASN A 14 -3.635 -22.677 9.266 1.00 53.33 N ATOM 0 H ASN A 14 -0.412 -20.510 8.166 1.00 11.20 H new ATOM 0 HA ASN A 14 -0.956 -22.579 7.580 1.00 61.30 H new ATOM 0 HB2 ASN A 14 -3.446 -21.330 6.312 1.00 73.32 H new ATOM 0 HB3 ASN A 14 -3.267 -23.010 6.776 1.00 73.32 H new ATOM 0 HD21 ASN A 14 -4.018 -22.522 10.199 1.00 53.33 H new ATOM 0 HD22 ASN A 14 -3.333 -23.611 8.988 1.00 53.33 H new ATOM 269 N LEU A 15 0.148 -21.653 5.068 1.00 53.53 N ATOM 270 CA LEU A 15 0.559 -21.672 3.666 1.00 15.41 C ATOM 271 C LEU A 15 1.338 -22.946 3.276 1.00 74.21 C ATOM 272 O LEU A 15 2.028 -23.547 4.115 1.00 22.52 O ATOM 273 CB LEU A 15 1.378 -20.405 3.327 1.00 60.41 C ATOM 274 CG LEU A 15 2.774 -20.287 3.962 1.00 34.33 C ATOM 275 CD1 LEU A 15 3.689 -19.512 3.036 1.00 52.40 C ATOM 276 CD2 LEU A 15 2.716 -19.610 5.327 1.00 14.15 C ATOM 0 H LEU A 15 0.813 -21.197 5.693 1.00 53.53 H new ATOM 0 HA LEU A 15 -0.356 -21.680 3.074 1.00 15.41 H new ATOM 0 HB2 LEU A 15 1.493 -20.355 2.244 1.00 60.41 H new ATOM 0 HB3 LEU A 15 0.795 -19.534 3.626 1.00 60.41 H new ATOM 0 HG LEU A 15 3.165 -21.294 4.110 1.00 34.33 H new ATOM 0 HD11 LEU A 15 4.678 -19.429 3.487 1.00 52.40 H new ATOM 0 HD12 LEU A 15 3.768 -20.034 2.082 1.00 52.40 H new ATOM 0 HD13 LEU A 15 3.280 -18.515 2.872 1.00 52.40 H new ATOM 0 HD21 LEU A 15 3.721 -19.545 5.744 1.00 14.15 H new ATOM 0 HD22 LEU A 15 2.302 -18.607 5.219 1.00 14.15 H new ATOM 0 HD23 LEU A 15 2.083 -20.193 5.996 1.00 14.15 H new ATOM 288 N PRO A 16 1.207 -23.381 1.981 1.00 62.11 N ATOM 289 CA PRO A 16 2.004 -24.487 1.423 1.00 63.20 C ATOM 290 C PRO A 16 3.487 -24.118 1.246 1.00 32.23 C ATOM 291 O PRO A 16 3.803 -23.113 0.608 1.00 43.11 O ATOM 292 CB PRO A 16 1.352 -24.759 0.062 1.00 73.24 C ATOM 293 CG PRO A 16 0.647 -23.499 -0.308 1.00 72.01 C ATOM 294 CD PRO A 16 0.229 -22.865 0.991 1.00 24.34 C ATOM 0 HA PRO A 16 2.006 -25.352 2.086 1.00 63.20 H new ATOM 0 HB2 PRO A 16 2.101 -25.022 -0.685 1.00 73.24 H new ATOM 0 HB3 PRO A 16 0.655 -25.594 0.122 1.00 73.24 H new ATOM 0 HG2 PRO A 16 1.302 -22.836 -0.873 1.00 72.01 H new ATOM 0 HG3 PRO A 16 -0.218 -23.706 -0.938 1.00 72.01 H new ATOM 0 HD2 PRO A 16 0.260 -21.777 0.931 1.00 24.34 H new ATOM 0 HD3 PRO A 16 -0.791 -23.141 1.258 1.00 24.34 H new ATOM 302 N SER A 17 4.352 -25.005 1.762 1.00 55.44 N ATOM 303 CA SER A 17 5.815 -24.799 1.935 1.00 61.35 C ATOM 304 C SER A 17 6.158 -23.459 2.601 1.00 22.35 C ATOM 305 O SER A 17 6.149 -22.409 1.950 1.00 5.04 O ATOM 306 CB SER A 17 6.625 -25.023 0.635 1.00 1.34 C ATOM 307 OG SER A 17 6.194 -24.211 -0.446 1.00 73.13 O ATOM 0 H SER A 17 4.049 -25.924 2.085 1.00 55.44 H new ATOM 0 HA SER A 17 6.129 -25.580 2.627 1.00 61.35 H new ATOM 0 HB2 SER A 17 7.678 -24.822 0.833 1.00 1.34 H new ATOM 0 HB3 SER A 17 6.549 -26.071 0.345 1.00 1.34 H new ATOM 0 HG SER A 17 5.449 -23.645 -0.154 1.00 73.13 H new ATOM 313 N HIS A 18 6.473 -23.526 3.912 1.00 14.53 N ATOM 314 CA HIS A 18 6.741 -22.329 4.729 1.00 22.13 C ATOM 315 C HIS A 18 7.852 -21.455 4.131 1.00 51.53 C ATOM 316 O HIS A 18 8.984 -21.901 3.911 1.00 15.44 O ATOM 317 CB HIS A 18 7.045 -22.698 6.207 1.00 44.23 C ATOM 318 CG HIS A 18 8.165 -23.683 6.433 1.00 23.54 C ATOM 319 ND1 HIS A 18 7.986 -25.049 6.407 1.00 4.44 N ATOM 320 CD2 HIS A 18 9.485 -23.486 6.678 1.00 20.44 C ATOM 321 CE1 HIS A 18 9.141 -25.646 6.630 1.00 42.31 C ATOM 322 NE2 HIS A 18 10.070 -24.725 6.790 1.00 65.52 N ATOM 0 H HIS A 18 6.548 -24.403 4.427 1.00 14.53 H new ATOM 0 HA HIS A 18 5.828 -21.734 4.720 1.00 22.13 H new ATOM 0 HB2 HIS A 18 7.282 -21.781 6.747 1.00 44.23 H new ATOM 0 HB3 HIS A 18 6.137 -23.105 6.652 1.00 44.23 H new ATOM 0 HD2 HIS A 18 9.984 -22.532 6.768 1.00 20.44 H new ATOM 0 HE1 HIS A 18 9.299 -26.713 6.674 1.00 42.31 H new ATOM 0 HE2 HIS A 18 11.059 -24.902 6.967 1.00 65.52 H new ATOM 331 N VAL A 19 7.474 -20.225 3.814 1.00 63.13 N ATOM 332 CA VAL A 19 8.371 -19.300 3.159 1.00 31.41 C ATOM 333 C VAL A 19 9.379 -18.720 4.171 1.00 43.44 C ATOM 334 O VAL A 19 9.017 -18.294 5.278 1.00 15.22 O ATOM 335 CB VAL A 19 7.568 -18.202 2.376 1.00 5.11 C ATOM 336 CG1 VAL A 19 6.768 -17.290 3.307 1.00 33.44 C ATOM 337 CG2 VAL A 19 8.488 -17.387 1.471 1.00 14.20 C ATOM 0 H VAL A 19 6.545 -19.848 4.004 1.00 63.13 H new ATOM 0 HA VAL A 19 8.957 -19.834 2.411 1.00 31.41 H new ATOM 0 HB VAL A 19 6.848 -18.727 1.749 1.00 5.11 H new ATOM 0 HG11 VAL A 19 6.231 -16.548 2.716 1.00 33.44 H new ATOM 0 HG12 VAL A 19 6.055 -17.886 3.876 1.00 33.44 H new ATOM 0 HG13 VAL A 19 7.447 -16.784 3.993 1.00 33.44 H new ATOM 0 HG21 VAL A 19 7.904 -16.634 0.941 1.00 14.20 H new ATOM 0 HG22 VAL A 19 9.251 -16.896 2.075 1.00 14.20 H new ATOM 0 HG23 VAL A 19 8.967 -18.048 0.749 1.00 14.20 H new ATOM 347 N SER A 20 10.657 -18.785 3.805 1.00 73.02 N ATOM 348 CA SER A 20 11.730 -18.306 4.666 1.00 41.20 C ATOM 349 C SER A 20 11.907 -16.805 4.499 1.00 35.10 C ATOM 350 O SER A 20 11.399 -16.230 3.538 1.00 25.44 O ATOM 351 CB SER A 20 13.033 -19.053 4.354 1.00 63.32 C ATOM 352 OG SER A 20 12.870 -20.438 4.548 1.00 31.30 O ATOM 0 H SER A 20 10.973 -19.167 2.914 1.00 73.02 H new ATOM 0 HA SER A 20 11.467 -18.503 5.705 1.00 41.20 H new ATOM 0 HB2 SER A 20 13.333 -18.858 3.324 1.00 63.32 H new ATOM 0 HB3 SER A 20 13.833 -18.682 4.995 1.00 63.32 H new ATOM 0 HG SER A 20 13.710 -20.898 4.343 1.00 31.30 H new ATOM 358 N SER A 21 12.643 -16.189 5.429 1.00 41.42 N ATOM 359 CA SER A 21 12.823 -14.731 5.494 1.00 40.24 C ATOM 360 C SER A 21 13.535 -14.171 4.257 1.00 71.14 C ATOM 361 O SER A 21 13.299 -13.036 3.868 1.00 51.15 O ATOM 362 CB SER A 21 13.596 -14.367 6.773 1.00 41.12 C ATOM 363 OG SER A 21 14.803 -15.120 6.875 1.00 20.45 O ATOM 0 H SER A 21 13.137 -16.692 6.167 1.00 41.42 H new ATOM 0 HA SER A 21 11.833 -14.275 5.517 1.00 40.24 H new ATOM 0 HB2 SER A 21 13.827 -13.302 6.771 1.00 41.12 H new ATOM 0 HB3 SER A 21 12.971 -14.556 7.646 1.00 41.12 H new ATOM 0 HG SER A 21 15.277 -14.869 7.695 1.00 20.45 H new ATOM 369 N ARG A 22 14.374 -15.000 3.629 1.00 62.33 N ATOM 370 CA ARG A 22 15.163 -14.594 2.464 1.00 53.01 C ATOM 371 C ARG A 22 14.293 -14.558 1.203 1.00 21.12 C ATOM 372 O ARG A 22 14.419 -13.653 0.346 1.00 2.14 O ATOM 373 CB ARG A 22 16.353 -15.558 2.275 1.00 13.22 C ATOM 374 CG ARG A 22 17.269 -15.665 3.502 1.00 61.03 C ATOM 375 CD ARG A 22 16.949 -16.881 4.379 1.00 53.45 C ATOM 376 NE ARG A 22 17.387 -18.143 3.775 1.00 75.14 N ATOM 377 CZ ARG A 22 17.237 -19.354 4.338 1.00 20.52 C ATOM 378 NH1 ARG A 22 16.655 -19.483 5.531 1.00 1.23 N ATOM 379 NH2 ARG A 22 17.697 -20.432 3.715 1.00 61.25 N ATOM 0 H ARG A 22 14.525 -15.968 3.913 1.00 62.33 H new ATOM 0 HA ARG A 22 15.547 -13.588 2.636 1.00 53.01 H new ATOM 0 HB2 ARG A 22 15.970 -16.549 2.033 1.00 13.22 H new ATOM 0 HB3 ARG A 22 16.944 -15.227 1.421 1.00 13.22 H new ATOM 0 HG2 ARG A 22 18.306 -15.724 3.171 1.00 61.03 H new ATOM 0 HG3 ARG A 22 17.176 -14.758 4.099 1.00 61.03 H new ATOM 0 HD2 ARG A 22 17.430 -16.761 5.350 1.00 53.45 H new ATOM 0 HD3 ARG A 22 15.875 -16.922 4.559 1.00 53.45 H new ATOM 0 HE ARG A 22 17.838 -18.099 2.861 1.00 75.14 H new ATOM 0 HH11 ARG A 22 16.318 -18.657 6.026 1.00 1.23 H new ATOM 0 HH12 ARG A 22 16.547 -20.407 5.948 1.00 1.23 H new ATOM 0 HH21 ARG A 22 18.162 -20.340 2.812 1.00 61.25 H new ATOM 0 HH22 ARG A 22 17.585 -21.353 4.139 1.00 61.25 H new ATOM 393 N ASP A 23 13.385 -15.526 1.128 1.00 15.24 N ATOM 394 CA ASP A 23 12.482 -15.671 -0.003 1.00 75.03 C ATOM 395 C ASP A 23 11.445 -14.560 -0.004 1.00 0.42 C ATOM 396 O ASP A 23 11.195 -13.952 -1.052 1.00 72.13 O ATOM 397 CB ASP A 23 11.791 -17.034 0.022 1.00 1.12 C ATOM 398 CG ASP A 23 12.773 -18.182 0.072 1.00 74.45 C ATOM 399 OD1 ASP A 23 13.369 -18.505 -0.976 1.00 32.04 O ATOM 400 OD2 ASP A 23 12.965 -18.744 1.172 1.00 4.25 O ATOM 0 H ASP A 23 13.256 -16.232 1.853 1.00 15.24 H new ATOM 0 HA ASP A 23 13.073 -15.601 -0.916 1.00 75.03 H new ATOM 0 HB2 ASP A 23 11.131 -17.087 0.888 1.00 1.12 H new ATOM 0 HB3 ASP A 23 11.164 -17.136 -0.863 1.00 1.12 H new ATOM 405 N VAL A 24 10.870 -14.265 1.172 1.00 32.23 N ATOM 406 CA VAL A 24 10.001 -13.098 1.299 1.00 72.32 C ATOM 407 C VAL A 24 10.804 -11.813 1.145 1.00 72.43 C ATOM 408 O VAL A 24 10.273 -10.845 0.644 1.00 55.33 O ATOM 409 CB VAL A 24 9.140 -13.016 2.597 1.00 21.31 C ATOM 410 CG1 VAL A 24 7.935 -13.915 2.503 1.00 22.41 C ATOM 411 CG2 VAL A 24 9.926 -13.344 3.847 1.00 63.11 C ATOM 0 H VAL A 24 10.990 -14.808 2.027 1.00 32.23 H new ATOM 0 HA VAL A 24 9.283 -13.220 0.488 1.00 72.32 H new ATOM 0 HB VAL A 24 8.815 -11.979 2.679 1.00 21.31 H new ATOM 0 HG11 VAL A 24 7.352 -13.839 3.421 1.00 22.41 H new ATOM 0 HG12 VAL A 24 7.320 -13.611 1.656 1.00 22.41 H new ATOM 0 HG13 VAL A 24 8.260 -14.946 2.364 1.00 22.41 H new ATOM 0 HG21 VAL A 24 9.273 -13.270 4.717 1.00 63.11 H new ATOM 0 HG22 VAL A 24 10.320 -14.358 3.774 1.00 63.11 H new ATOM 0 HG23 VAL A 24 10.752 -12.641 3.952 1.00 63.11 H new ATOM 421 N GLU A 25 12.080 -11.805 1.557 1.00 55.35 N ATOM 422 CA GLU A 25 12.910 -10.615 1.371 1.00 62.20 C ATOM 423 C GLU A 25 12.990 -10.245 -0.110 1.00 5.42 C ATOM 424 O GLU A 25 12.551 -9.165 -0.474 1.00 71.12 O ATOM 425 CB GLU A 25 14.311 -10.790 1.956 1.00 10.45 C ATOM 426 CG GLU A 25 14.992 -9.482 2.334 1.00 74.21 C ATOM 427 CD GLU A 25 16.327 -9.706 3.005 1.00 53.32 C ATOM 428 OE1 GLU A 25 16.334 -10.100 4.194 1.00 14.31 O ATOM 429 OE2 GLU A 25 17.372 -9.490 2.352 1.00 43.44 O ATOM 0 H GLU A 25 12.547 -12.590 2.010 1.00 55.35 H new ATOM 0 HA GLU A 25 12.433 -9.800 1.916 1.00 62.20 H new ATOM 0 HB2 GLU A 25 14.248 -11.424 2.841 1.00 10.45 H new ATOM 0 HB3 GLU A 25 14.933 -11.315 1.231 1.00 10.45 H new ATOM 0 HG2 GLU A 25 15.134 -8.877 1.439 1.00 74.21 H new ATOM 0 HG3 GLU A 25 14.342 -8.916 3.002 1.00 74.21 H new ATOM 436 N ASN A 26 13.391 -11.178 -0.990 1.00 51.35 N ATOM 437 CA ASN A 26 13.501 -10.836 -2.429 1.00 42.25 C ATOM 438 C ASN A 26 12.116 -10.676 -3.109 1.00 21.34 C ATOM 439 O ASN A 26 11.777 -9.583 -3.705 1.00 52.14 O ATOM 440 CB ASN A 26 14.268 -11.956 -3.164 1.00 4.00 C ATOM 441 CG ASN A 26 14.451 -11.697 -4.667 1.00 50.44 C ATOM 442 OD1 ASN A 26 14.682 -10.563 -5.111 1.00 21.54 O ATOM 443 ND2 ASN A 26 14.317 -12.757 -5.466 1.00 45.34 N ATOM 0 H ASN A 26 13.637 -12.139 -0.751 1.00 51.35 H new ATOM 0 HA ASN A 26 14.026 -9.883 -2.491 1.00 42.25 H new ATOM 0 HB2 ASN A 26 15.249 -12.075 -2.703 1.00 4.00 H new ATOM 0 HB3 ASN A 26 13.736 -12.898 -3.029 1.00 4.00 H new ATOM 0 HD21 ASN A 26 14.404 -12.648 -6.476 1.00 45.34 H new ATOM 0 HD22 ASN A 26 14.127 -13.676 -5.066 1.00 45.34 H new ATOM 450 N GLU A 27 11.297 -11.723 -2.961 1.00 4.12 N ATOM 451 CA GLU A 27 10.068 -11.821 -3.713 1.00 20.31 C ATOM 452 C GLU A 27 9.089 -10.777 -3.227 1.00 1.24 C ATOM 453 O GLU A 27 8.528 -10.048 -4.029 1.00 74.21 O ATOM 454 CB GLU A 27 9.475 -13.238 -3.649 1.00 43.11 C ATOM 455 CG GLU A 27 8.409 -13.506 -4.712 1.00 42.24 C ATOM 456 CD GLU A 27 8.957 -13.456 -6.137 1.00 32.13 C ATOM 457 OE1 GLU A 27 9.008 -12.355 -6.728 1.00 41.50 O ATOM 458 OE2 GLU A 27 9.327 -14.529 -6.665 1.00 11.22 O ATOM 0 H GLU A 27 11.472 -12.504 -2.328 1.00 4.12 H new ATOM 0 HA GLU A 27 10.285 -11.627 -4.763 1.00 20.31 H new ATOM 0 HB2 GLU A 27 10.280 -13.965 -3.762 1.00 43.11 H new ATOM 0 HB3 GLU A 27 9.040 -13.396 -2.662 1.00 43.11 H new ATOM 0 HG2 GLU A 27 7.965 -14.486 -4.534 1.00 42.24 H new ATOM 0 HG3 GLU A 27 7.610 -12.771 -4.610 1.00 42.24 H new ATOM 465 N PHE A 28 8.959 -10.622 -1.912 1.00 61.01 N ATOM 466 CA PHE A 28 8.068 -9.616 -1.362 1.00 35.11 C ATOM 467 C PHE A 28 8.700 -8.201 -1.433 1.00 71.54 C ATOM 468 O PHE A 28 7.957 -7.245 -1.457 1.00 22.23 O ATOM 469 CB PHE A 28 7.569 -9.978 0.060 1.00 32.15 C ATOM 470 CG PHE A 28 6.433 -10.983 0.112 1.00 72.34 C ATOM 471 CD1 PHE A 28 6.546 -12.248 -0.446 1.00 34.52 C ATOM 472 CD2 PHE A 28 5.237 -10.651 0.747 1.00 54.41 C ATOM 473 CE1 PHE A 28 5.502 -13.154 -0.379 1.00 2.34 C ATOM 474 CE2 PHE A 28 4.193 -11.557 0.819 1.00 52.14 C ATOM 475 CZ PHE A 28 4.327 -12.811 0.258 1.00 5.22 C ATOM 0 H PHE A 28 9.457 -11.177 -1.216 1.00 61.01 H new ATOM 0 HA PHE A 28 7.177 -9.598 -1.990 1.00 35.11 H new ATOM 0 HB2 PHE A 28 8.408 -10.373 0.632 1.00 32.15 H new ATOM 0 HB3 PHE A 28 7.246 -9.064 0.558 1.00 32.15 H new ATOM 0 HD1 PHE A 28 7.464 -12.530 -0.941 1.00 34.52 H new ATOM 0 HD2 PHE A 28 5.123 -9.672 1.189 1.00 54.41 H new ATOM 0 HE1 PHE A 28 5.607 -14.131 -0.826 1.00 2.34 H new ATOM 0 HE2 PHE A 28 3.273 -11.283 1.314 1.00 52.14 H new ATOM 0 HZ PHE A 28 3.515 -13.521 0.317 1.00 5.22 H new ATOM 485 N ARG A 29 10.054 -8.034 -1.530 1.00 53.44 N ATOM 486 CA ARG A 29 10.575 -6.665 -1.788 1.00 15.12 C ATOM 487 C ARG A 29 10.215 -6.187 -3.195 1.00 60.54 C ATOM 488 O ARG A 29 10.107 -4.976 -3.403 1.00 63.42 O ATOM 489 CB ARG A 29 12.085 -6.457 -1.486 1.00 33.11 C ATOM 490 CG ARG A 29 13.094 -6.834 -2.571 1.00 71.25 C ATOM 491 CD ARG A 29 13.444 -5.642 -3.443 1.00 25.23 C ATOM 492 NE ARG A 29 14.618 -5.912 -4.285 1.00 51.02 N ATOM 493 CZ ARG A 29 14.814 -5.427 -5.530 1.00 62.20 C ATOM 494 NH1 ARG A 29 13.893 -4.644 -6.107 1.00 35.13 N ATOM 495 NH2 ARG A 29 15.947 -5.707 -6.190 1.00 61.22 N ATOM 0 H ARG A 29 10.754 -8.771 -1.441 1.00 53.44 H new ATOM 0 HA ARG A 29 10.064 -6.038 -1.057 1.00 15.12 H new ATOM 0 HB2 ARG A 29 12.235 -5.405 -1.242 1.00 33.11 H new ATOM 0 HB3 ARG A 29 12.328 -7.029 -0.591 1.00 33.11 H new ATOM 0 HG2 ARG A 29 13.999 -7.225 -2.107 1.00 71.25 H new ATOM 0 HG3 ARG A 29 12.683 -7.631 -3.190 1.00 71.25 H new ATOM 0 HD2 ARG A 29 12.592 -5.391 -4.075 1.00 25.23 H new ATOM 0 HD3 ARG A 29 13.640 -4.775 -2.813 1.00 25.23 H new ATOM 0 HE ARG A 29 15.344 -6.515 -3.897 1.00 51.02 H new ATOM 0 HH11 ARG A 29 13.036 -4.410 -5.606 1.00 35.13 H new ATOM 0 HH12 ARG A 29 14.049 -4.282 -7.048 1.00 35.13 H new ATOM 0 HH21 ARG A 29 16.662 -6.287 -5.752 1.00 61.22 H new ATOM 0 HH22 ARG A 29 16.093 -5.340 -7.130 1.00 61.22 H new ATOM 509 N LYS A 30 10.021 -7.120 -4.156 1.00 71.52 N ATOM 510 CA LYS A 30 9.450 -6.686 -5.450 1.00 32.24 C ATOM 511 C LYS A 30 7.992 -6.146 -5.307 1.00 70.15 C ATOM 512 O LYS A 30 7.547 -5.361 -6.154 1.00 51.41 O ATOM 513 CB LYS A 30 9.593 -7.797 -6.544 1.00 52.31 C ATOM 514 CG LYS A 30 8.334 -8.638 -6.883 1.00 33.44 C ATOM 515 CD LYS A 30 7.455 -7.972 -7.953 1.00 3.31 C ATOM 516 CE LYS A 30 6.017 -8.482 -7.930 1.00 1.25 C ATOM 517 NZ LYS A 30 5.151 -7.760 -8.905 1.00 32.04 N ATOM 0 H LYS A 30 10.235 -8.114 -4.072 1.00 71.52 H new ATOM 0 HA LYS A 30 10.040 -5.837 -5.796 1.00 32.24 H new ATOM 0 HB2 LYS A 30 9.937 -7.322 -7.463 1.00 52.31 H new ATOM 0 HB3 LYS A 30 10.379 -8.482 -6.226 1.00 52.31 H new ATOM 0 HG2 LYS A 30 8.642 -9.624 -7.232 1.00 33.44 H new ATOM 0 HG3 LYS A 30 7.747 -8.789 -5.977 1.00 33.44 H new ATOM 0 HD2 LYS A 30 7.457 -6.893 -7.799 1.00 3.31 H new ATOM 0 HD3 LYS A 30 7.886 -8.155 -8.937 1.00 3.31 H new ATOM 0 HE2 LYS A 30 6.007 -9.548 -8.157 1.00 1.25 H new ATOM 0 HE3 LYS A 30 5.608 -8.366 -6.927 1.00 1.25 H new ATOM 0 HZ1 LYS A 30 4.183 -8.138 -8.856 1.00 32.04 H new ATOM 0 HZ2 LYS A 30 5.139 -6.746 -8.674 1.00 32.04 H new ATOM 0 HZ3 LYS A 30 5.526 -7.892 -9.866 1.00 32.04 H new ATOM 531 N TYR A 31 7.284 -6.510 -4.229 1.00 31.52 N ATOM 532 CA TYR A 31 5.863 -6.142 -4.048 1.00 4.41 C ATOM 533 C TYR A 31 5.665 -4.664 -3.664 1.00 5.54 C ATOM 534 O TYR A 31 4.714 -4.070 -4.110 1.00 73.04 O ATOM 535 CB TYR A 31 5.174 -6.986 -2.952 1.00 32.22 C ATOM 536 CG TYR A 31 5.015 -8.466 -3.212 1.00 43.22 C ATOM 537 CD1 TYR A 31 5.645 -9.083 -4.268 1.00 63.20 C ATOM 538 CD2 TYR A 31 4.230 -9.249 -2.380 1.00 35.43 C ATOM 539 CE1 TYR A 31 5.520 -10.433 -4.502 1.00 33.32 C ATOM 540 CE2 TYR A 31 4.096 -10.607 -2.605 1.00 14.35 C ATOM 541 CZ TYR A 31 4.746 -11.195 -3.670 1.00 11.23 C ATOM 542 OH TYR A 31 4.641 -12.534 -3.902 1.00 1.30 O ATOM 0 H TYR A 31 7.670 -7.062 -3.463 1.00 31.52 H new ATOM 0 HA TYR A 31 5.413 -6.334 -5.022 1.00 4.41 H new ATOM 0 HB2 TYR A 31 5.740 -6.865 -2.028 1.00 32.22 H new ATOM 0 HB3 TYR A 31 4.183 -6.566 -2.776 1.00 32.22 H new ATOM 0 HD1 TYR A 31 6.256 -8.490 -4.933 1.00 63.20 H new ATOM 0 HD2 TYR A 31 3.717 -8.793 -1.546 1.00 35.43 H new ATOM 0 HE1 TYR A 31 6.030 -10.889 -5.338 1.00 33.32 H new ATOM 0 HE2 TYR A 31 3.483 -11.206 -1.948 1.00 14.35 H new ATOM 0 HH TYR A 31 4.832 -13.025 -3.076 1.00 1.30 H new ATOM 552 N GLY A 32 6.535 -4.067 -2.844 1.00 5.33 N ATOM 553 CA GLY A 32 6.309 -2.666 -2.466 1.00 42.03 C ATOM 554 C GLY A 32 7.160 -2.194 -1.296 1.00 64.11 C ATOM 555 O GLY A 32 6.644 -1.524 -0.388 1.00 14.45 O ATOM 0 H GLY A 32 7.365 -4.505 -2.444 1.00 5.33 H new ATOM 0 HA2 GLY A 32 6.511 -2.031 -3.328 1.00 42.03 H new ATOM 0 HA3 GLY A 32 5.257 -2.534 -2.213 1.00 42.03 H new ATOM 559 N ASN A 33 8.453 -2.573 -1.342 1.00 72.32 N ATOM 560 CA ASN A 33 9.503 -2.155 -0.378 1.00 62.21 C ATOM 561 C ASN A 33 9.216 -2.616 1.065 1.00 3.22 C ATOM 562 O ASN A 33 8.444 -1.998 1.813 1.00 51.05 O ATOM 563 CB ASN A 33 9.751 -0.635 -0.440 1.00 62.52 C ATOM 564 CG ASN A 33 10.961 -0.183 0.368 1.00 5.51 C ATOM 565 OD1 ASN A 33 12.095 -0.257 -0.106 1.00 44.44 O ATOM 566 ND2 ASN A 33 10.727 0.325 1.570 1.00 42.42 N ATOM 0 H ASN A 33 8.810 -3.194 -2.068 1.00 72.32 H new ATOM 0 HA ASN A 33 10.417 -2.662 -0.686 1.00 62.21 H new ATOM 0 HB2 ASN A 33 9.888 -0.339 -1.480 1.00 62.52 H new ATOM 0 HB3 ASN A 33 8.865 -0.115 -0.075 1.00 62.52 H new ATOM 0 HD21 ASN A 33 11.501 0.672 2.137 1.00 42.42 H new ATOM 0 HD22 ASN A 33 9.773 0.369 1.928 1.00 42.42 H new ATOM 573 N ILE A 34 9.866 -3.708 1.443 1.00 15.12 N ATOM 574 CA ILE A 34 9.745 -4.282 2.780 1.00 63.21 C ATOM 575 C ILE A 34 10.669 -3.546 3.770 1.00 63.31 C ATOM 576 O ILE A 34 11.862 -3.351 3.513 1.00 72.51 O ATOM 577 CB ILE A 34 9.994 -5.845 2.739 1.00 33.24 C ATOM 578 CG1 ILE A 34 10.063 -6.491 4.156 1.00 51.11 C ATOM 579 CG2 ILE A 34 11.240 -6.194 1.913 1.00 44.33 C ATOM 580 CD1 ILE A 34 11.476 -6.683 4.738 1.00 2.13 C ATOM 0 H ILE A 34 10.496 -4.225 0.829 1.00 15.12 H new ATOM 0 HA ILE A 34 8.727 -4.141 3.143 1.00 63.21 H new ATOM 0 HB ILE A 34 9.123 -6.276 2.244 1.00 33.24 H new ATOM 0 HG12 ILE A 34 9.488 -5.872 4.845 1.00 51.11 H new ATOM 0 HG13 ILE A 34 9.572 -7.463 4.115 1.00 51.11 H new ATOM 0 HG21 ILE A 34 11.381 -7.275 1.906 1.00 44.33 H new ATOM 0 HG22 ILE A 34 11.110 -5.838 0.891 1.00 44.33 H new ATOM 0 HG23 ILE A 34 12.115 -5.717 2.355 1.00 44.33 H new ATOM 0 HD11 ILE A 34 11.404 -7.139 5.725 1.00 2.13 H new ATOM 0 HD12 ILE A 34 12.056 -7.331 4.080 1.00 2.13 H new ATOM 0 HD13 ILE A 34 11.970 -5.715 4.821 1.00 2.13 H new ATOM 592 N LEU A 35 10.080 -3.095 4.881 1.00 73.35 N ATOM 593 CA LEU A 35 10.833 -2.438 5.945 1.00 43.04 C ATOM 594 C LEU A 35 11.164 -3.445 7.048 1.00 40.21 C ATOM 595 O LEU A 35 12.205 -3.346 7.702 1.00 53.24 O ATOM 596 CB LEU A 35 10.038 -1.273 6.560 1.00 23.04 C ATOM 597 CG LEU A 35 9.327 -0.337 5.572 1.00 24.35 C ATOM 598 CD1 LEU A 35 7.826 -0.493 5.700 1.00 71.11 C ATOM 599 CD2 LEU A 35 9.720 1.111 5.807 1.00 34.32 C ATOM 0 H LEU A 35 9.080 -3.175 5.064 1.00 73.35 H new ATOM 0 HA LEU A 35 11.749 -2.044 5.505 1.00 43.04 H new ATOM 0 HB2 LEU A 35 9.290 -1.688 7.236 1.00 23.04 H new ATOM 0 HB3 LEU A 35 10.720 -0.676 7.166 1.00 23.04 H new ATOM 0 HG LEU A 35 9.635 -0.612 4.563 1.00 24.35 H new ATOM 0 HD11 LEU A 35 7.329 0.174 4.996 1.00 71.11 H new ATOM 0 HD12 LEU A 35 7.547 -1.524 5.481 1.00 71.11 H new ATOM 0 HD13 LEU A 35 7.519 -0.242 6.715 1.00 71.11 H new ATOM 0 HD21 LEU A 35 9.201 1.750 5.092 1.00 34.32 H new ATOM 0 HD22 LEU A 35 9.445 1.403 6.821 1.00 34.32 H new ATOM 0 HD23 LEU A 35 10.797 1.222 5.677 1.00 34.32 H new ATOM 611 N LYS A 36 10.266 -4.412 7.246 1.00 34.44 N ATOM 612 CA LYS A 36 10.404 -5.402 8.311 1.00 51.41 C ATOM 613 C LYS A 36 9.749 -6.715 7.882 1.00 23.33 C ATOM 614 O LYS A 36 8.632 -6.716 7.374 1.00 1.41 O ATOM 615 CB LYS A 36 9.770 -4.827 9.602 1.00 61.12 C ATOM 616 CG LYS A 36 9.802 -5.718 10.855 1.00 42.42 C ATOM 617 CD LYS A 36 8.573 -6.634 10.969 1.00 53.44 C ATOM 618 CE LYS A 36 7.922 -6.562 12.339 1.00 54.44 C ATOM 619 NZ LYS A 36 7.464 -5.185 12.672 1.00 21.33 N ATOM 0 H LYS A 36 9.429 -4.529 6.676 1.00 34.44 H new ATOM 0 HA LYS A 36 11.454 -5.616 8.510 1.00 51.41 H new ATOM 0 HB2 LYS A 36 10.276 -3.891 9.839 1.00 61.12 H new ATOM 0 HB3 LYS A 36 8.730 -4.582 9.388 1.00 61.12 H new ATOM 0 HG2 LYS A 36 10.704 -6.329 10.837 1.00 42.42 H new ATOM 0 HG3 LYS A 36 9.862 -5.087 11.742 1.00 42.42 H new ATOM 0 HD2 LYS A 36 7.844 -6.355 10.208 1.00 53.44 H new ATOM 0 HD3 LYS A 36 8.870 -7.663 10.764 1.00 53.44 H new ATOM 0 HE2 LYS A 36 7.072 -7.244 12.372 1.00 54.44 H new ATOM 0 HE3 LYS A 36 8.631 -6.900 13.095 1.00 54.44 H new ATOM 0 HZ1 LYS A 36 6.666 -5.236 13.337 1.00 21.33 H new ATOM 0 HZ2 LYS A 36 8.245 -4.655 13.108 1.00 21.33 H new ATOM 0 HZ3 LYS A 36 7.160 -4.701 11.803 1.00 21.33 H new ATOM 633 N CYS A 37 10.450 -7.827 8.060 1.00 44.54 N ATOM 634 CA CYS A 37 9.857 -9.144 7.827 1.00 22.44 C ATOM 635 C CYS A 37 10.010 -10.010 9.065 1.00 63.12 C ATOM 636 O CYS A 37 11.115 -10.164 9.599 1.00 2.14 O ATOM 637 CB CYS A 37 10.453 -9.840 6.588 1.00 64.31 C ATOM 638 SG CYS A 37 12.247 -10.009 6.610 1.00 54.20 S ATOM 0 H CYS A 37 11.424 -7.848 8.363 1.00 44.54 H new ATOM 0 HA CYS A 37 8.796 -8.999 7.624 1.00 22.44 H new ATOM 0 HB2 CYS A 37 10.009 -10.831 6.496 1.00 64.31 H new ATOM 0 HB3 CYS A 37 10.165 -9.279 5.699 1.00 64.31 H new ATOM 0 HG CYS A 37 12.656 -10.130 7.838 1.00 54.20 H new ATOM 644 N ASP A 38 8.892 -10.528 9.548 1.00 3.05 N ATOM 645 CA ASP A 38 8.913 -11.360 10.734 1.00 1.14 C ATOM 646 C ASP A 38 8.163 -12.660 10.476 1.00 73.31 C ATOM 647 O ASP A 38 7.054 -12.632 9.970 1.00 65.50 O ATOM 648 CB ASP A 38 8.298 -10.609 11.912 1.00 20.35 C ATOM 649 CG ASP A 38 8.738 -11.185 13.239 1.00 15.00 C ATOM 650 OD1 ASP A 38 8.209 -12.237 13.638 1.00 12.20 O ATOM 651 OD2 ASP A 38 9.630 -10.589 13.870 1.00 4.42 O ATOM 0 H ASP A 38 7.968 -10.387 9.140 1.00 3.05 H new ATOM 0 HA ASP A 38 9.947 -11.602 10.980 1.00 1.14 H new ATOM 0 HB2 ASP A 38 8.582 -9.558 11.860 1.00 20.35 H new ATOM 0 HB3 ASP A 38 7.211 -10.650 11.841 1.00 20.35 H new ATOM 656 N VAL A 39 8.761 -13.797 10.812 1.00 53.20 N ATOM 657 CA VAL A 39 8.101 -15.086 10.604 1.00 35.13 C ATOM 658 C VAL A 39 7.753 -15.725 11.960 1.00 71.22 C ATOM 659 O VAL A 39 8.638 -16.087 12.746 1.00 11.03 O ATOM 660 CB VAL A 39 8.969 -16.049 9.723 1.00 1.24 C ATOM 661 CG1 VAL A 39 8.230 -17.344 9.401 1.00 41.24 C ATOM 662 CG2 VAL A 39 9.386 -15.373 8.418 1.00 65.40 C ATOM 0 H VAL A 39 9.692 -13.856 11.225 1.00 53.20 H new ATOM 0 HA VAL A 39 7.176 -14.909 10.056 1.00 35.13 H new ATOM 0 HB VAL A 39 9.857 -16.290 10.307 1.00 1.24 H new ATOM 0 HG11 VAL A 39 8.866 -17.983 8.789 1.00 41.24 H new ATOM 0 HG12 VAL A 39 7.981 -17.861 10.328 1.00 41.24 H new ATOM 0 HG13 VAL A 39 7.314 -17.115 8.856 1.00 41.24 H new ATOM 0 HG21 VAL A 39 9.987 -16.064 7.826 1.00 65.40 H new ATOM 0 HG22 VAL A 39 8.497 -15.091 7.854 1.00 65.40 H new ATOM 0 HG23 VAL A 39 9.972 -14.481 8.641 1.00 65.40 H new ATOM 672 N LYS A 40 6.447 -15.852 12.211 1.00 4.31 N ATOM 673 CA LYS A 40 5.920 -16.404 13.464 1.00 75.42 C ATOM 674 C LYS A 40 5.364 -17.798 13.192 1.00 62.33 C ATOM 675 O LYS A 40 4.767 -18.009 12.159 1.00 13.52 O ATOM 676 CB LYS A 40 4.752 -15.548 13.994 1.00 52.20 C ATOM 677 CG LYS A 40 5.013 -14.051 14.168 1.00 24.45 C ATOM 678 CD LYS A 40 5.880 -13.743 15.385 1.00 14.42 C ATOM 679 CE LYS A 40 5.755 -12.274 15.795 1.00 61.25 C ATOM 680 NZ LYS A 40 4.392 -11.949 16.315 1.00 55.34 N ATOM 0 H LYS A 40 5.722 -15.574 11.549 1.00 4.31 H new ATOM 0 HA LYS A 40 6.729 -16.422 14.194 1.00 75.42 H new ATOM 0 HB2 LYS A 40 3.908 -15.668 13.315 1.00 52.20 H new ATOM 0 HB3 LYS A 40 4.445 -15.953 14.958 1.00 52.20 H new ATOM 0 HG2 LYS A 40 5.500 -13.665 13.273 1.00 24.45 H new ATOM 0 HG3 LYS A 40 4.061 -13.529 14.263 1.00 24.45 H new ATOM 0 HD2 LYS A 40 5.584 -14.382 16.217 1.00 14.42 H new ATOM 0 HD3 LYS A 40 6.921 -13.974 15.161 1.00 14.42 H new ATOM 0 HE2 LYS A 40 6.498 -12.047 16.560 1.00 61.25 H new ATOM 0 HE3 LYS A 40 5.976 -11.639 14.937 1.00 61.25 H new ATOM 0 HZ1 LYS A 40 4.438 -11.088 16.896 1.00 55.34 H new ATOM 0 HZ2 LYS A 40 3.744 -11.793 15.517 1.00 55.34 H new ATOM 0 HZ3 LYS A 40 4.044 -12.739 16.894 1.00 55.34 H new ATOM 694 N LYS A 41 5.568 -18.763 14.079 1.00 14.22 N ATOM 695 CA LYS A 41 4.876 -20.052 13.922 1.00 24.44 C ATOM 696 C LYS A 41 4.217 -20.515 15.231 1.00 33.32 C ATOM 697 O LYS A 41 4.700 -20.202 16.326 1.00 15.00 O ATOM 698 CB LYS A 41 5.794 -21.147 13.298 1.00 50.34 C ATOM 699 CG LYS A 41 6.715 -21.917 14.271 1.00 64.21 C ATOM 700 CD LYS A 41 7.862 -21.090 14.858 1.00 24.54 C ATOM 701 CE LYS A 41 8.893 -20.700 13.815 1.00 34.31 C ATOM 702 NZ LYS A 41 10.114 -20.119 14.430 1.00 60.14 N ATOM 0 H LYS A 41 6.183 -18.692 14.890 1.00 14.22 H new ATOM 0 HA LYS A 41 4.069 -19.889 13.207 1.00 24.44 H new ATOM 0 HB2 LYS A 41 5.160 -21.870 12.785 1.00 50.34 H new ATOM 0 HB3 LYS A 41 6.419 -20.676 12.539 1.00 50.34 H new ATOM 0 HG2 LYS A 41 6.110 -22.307 15.090 1.00 64.21 H new ATOM 0 HG3 LYS A 41 7.135 -22.776 13.748 1.00 64.21 H new ATOM 0 HD2 LYS A 41 7.457 -20.189 15.318 1.00 24.54 H new ATOM 0 HD3 LYS A 41 8.349 -21.660 15.649 1.00 24.54 H new ATOM 0 HE2 LYS A 41 9.165 -21.577 13.228 1.00 34.31 H new ATOM 0 HE3 LYS A 41 8.456 -19.978 13.125 1.00 34.31 H new ATOM 0 HZ1 LYS A 41 10.792 -19.866 13.683 1.00 60.14 H new ATOM 0 HZ2 LYS A 41 9.859 -19.267 14.969 1.00 60.14 H new ATOM 0 HZ3 LYS A 41 10.546 -20.816 15.069 1.00 60.14 H new ATOM 716 N THR A 42 3.098 -21.225 15.108 1.00 24.15 N ATOM 717 CA THR A 42 2.413 -21.775 16.271 1.00 30.13 C ATOM 718 C THR A 42 2.737 -23.280 16.429 1.00 12.21 C ATOM 719 O THR A 42 3.236 -23.922 15.496 1.00 5.15 O ATOM 720 CB THR A 42 0.872 -21.527 16.200 1.00 15.34 C ATOM 721 OG1 THR A 42 0.227 -21.938 17.411 1.00 25.33 O ATOM 722 CG2 THR A 42 0.230 -22.251 15.023 1.00 22.43 C ATOM 0 H THR A 42 2.649 -21.432 14.216 1.00 24.15 H new ATOM 0 HA THR A 42 2.779 -21.254 17.156 1.00 30.13 H new ATOM 0 HB THR A 42 0.738 -20.454 16.062 1.00 15.34 H new ATOM 0 HG1 THR A 42 -0.736 -21.771 17.342 1.00 25.33 H new ATOM 0 HG21 THR A 42 -0.841 -22.050 15.013 1.00 22.43 H new ATOM 0 HG22 THR A 42 0.674 -21.898 14.092 1.00 22.43 H new ATOM 0 HG23 THR A 42 0.397 -23.324 15.121 1.00 22.43 H new ATOM 730 N VAL A 43 2.415 -23.827 17.610 1.00 50.42 N ATOM 731 CA VAL A 43 2.656 -25.236 17.953 1.00 30.21 C ATOM 732 C VAL A 43 1.624 -26.162 17.253 1.00 65.21 C ATOM 733 O VAL A 43 1.799 -27.382 17.196 1.00 44.21 O ATOM 734 CB VAL A 43 2.607 -25.437 19.508 1.00 73.23 C ATOM 735 CG1 VAL A 43 3.112 -26.810 19.938 1.00 44.32 C ATOM 736 CG2 VAL A 43 3.402 -24.355 20.223 1.00 4.35 C ATOM 0 H VAL A 43 1.975 -23.297 18.362 1.00 50.42 H new ATOM 0 HA VAL A 43 3.650 -25.507 17.598 1.00 30.21 H new ATOM 0 HB VAL A 43 1.557 -25.365 19.792 1.00 73.23 H new ATOM 0 HG11 VAL A 43 3.056 -26.895 21.023 1.00 44.32 H new ATOM 0 HG12 VAL A 43 2.495 -27.584 19.481 1.00 44.32 H new ATOM 0 HG13 VAL A 43 4.146 -26.934 19.617 1.00 44.32 H new ATOM 0 HG21 VAL A 43 3.352 -24.518 21.300 1.00 4.35 H new ATOM 0 HG22 VAL A 43 4.442 -24.393 19.899 1.00 4.35 H new ATOM 0 HG23 VAL A 43 2.983 -23.378 19.984 1.00 4.35 H new ATOM 746 N SER A 44 0.571 -25.560 16.672 1.00 54.21 N ATOM 747 CA SER A 44 -0.471 -26.301 15.949 1.00 22.30 C ATOM 748 C SER A 44 0.014 -26.747 14.547 1.00 20.22 C ATOM 749 O SER A 44 -0.683 -27.487 13.850 1.00 41.20 O ATOM 750 CB SER A 44 -1.727 -25.421 15.823 1.00 22.34 C ATOM 751 OG SER A 44 -2.820 -26.133 15.268 1.00 65.41 O ATOM 0 H SER A 44 0.421 -24.551 16.692 1.00 54.21 H new ATOM 0 HA SER A 44 -0.707 -27.202 16.515 1.00 22.30 H new ATOM 0 HB2 SER A 44 -2.004 -25.041 16.806 1.00 22.34 H new ATOM 0 HB3 SER A 44 -1.503 -24.556 15.198 1.00 22.34 H new ATOM 0 HG SER A 44 -2.484 -26.861 14.704 1.00 65.41 H new ATOM 757 N GLY A 45 1.196 -26.266 14.136 1.00 54.21 N ATOM 758 CA GLY A 45 1.792 -26.700 12.885 1.00 3.20 C ATOM 759 C GLY A 45 1.617 -25.691 11.768 1.00 53.44 C ATOM 760 O GLY A 45 2.132 -25.887 10.664 1.00 32.53 O ATOM 0 H GLY A 45 1.747 -25.582 14.654 1.00 54.21 H new ATOM 0 HA2 GLY A 45 2.855 -26.883 13.039 1.00 3.20 H new ATOM 0 HA3 GLY A 45 1.345 -27.648 12.585 1.00 3.20 H new ATOM 764 N ALA A 46 0.888 -24.614 12.051 1.00 4.11 N ATOM 765 CA ALA A 46 0.683 -23.554 11.075 1.00 1.52 C ATOM 766 C ALA A 46 1.784 -22.510 11.167 1.00 22.03 C ATOM 767 O ALA A 46 2.166 -22.085 12.259 1.00 54.11 O ATOM 768 CB ALA A 46 -0.678 -22.906 11.253 1.00 71.50 C ATOM 0 H ALA A 46 0.431 -24.455 12.949 1.00 4.11 H new ATOM 0 HA ALA A 46 0.720 -24.005 10.083 1.00 1.52 H new ATOM 0 HB1 ALA A 46 -0.805 -22.118 10.511 1.00 71.50 H new ATOM 0 HB2 ALA A 46 -1.458 -23.656 11.123 1.00 71.50 H new ATOM 0 HB3 ALA A 46 -0.749 -22.478 12.253 1.00 71.50 H new ATOM 774 N ALA A 47 2.285 -22.113 10.011 1.00 13.15 N ATOM 775 CA ALA A 47 3.306 -21.088 9.917 1.00 12.11 C ATOM 776 C ALA A 47 2.680 -19.797 9.424 1.00 43.45 C ATOM 777 O ALA A 47 1.704 -19.826 8.671 1.00 12.22 O ATOM 778 CB ALA A 47 4.437 -21.532 8.994 1.00 1.31 C ATOM 0 H ALA A 47 1.994 -22.493 9.110 1.00 13.15 H new ATOM 0 HA ALA A 47 3.735 -20.920 10.905 1.00 12.11 H new ATOM 0 HB1 ALA A 47 5.191 -20.747 8.939 1.00 1.31 H new ATOM 0 HB2 ALA A 47 4.890 -22.443 9.385 1.00 1.31 H new ATOM 0 HB3 ALA A 47 4.039 -21.724 7.997 1.00 1.31 H new ATOM 784 N PHE A 48 3.230 -18.678 9.869 1.00 34.05 N ATOM 785 CA PHE A 48 2.699 -17.362 9.542 1.00 41.22 C ATOM 786 C PHE A 48 3.842 -16.429 9.183 1.00 24.22 C ATOM 787 O PHE A 48 4.972 -16.608 9.631 1.00 74.10 O ATOM 788 CB PHE A 48 1.934 -16.723 10.726 1.00 32.42 C ATOM 789 CG PHE A 48 0.989 -17.626 11.465 1.00 4.25 C ATOM 790 CD1 PHE A 48 -0.244 -17.966 10.936 1.00 50.14 C ATOM 791 CD2 PHE A 48 1.343 -18.130 12.704 1.00 24.03 C ATOM 792 CE1 PHE A 48 -1.106 -18.790 11.628 1.00 54.31 C ATOM 793 CE2 PHE A 48 0.489 -18.948 13.399 1.00 32.12 C ATOM 794 CZ PHE A 48 -0.737 -19.283 12.862 1.00 1.21 C ATOM 0 H PHE A 48 4.056 -18.655 10.467 1.00 34.05 H new ATOM 0 HA PHE A 48 2.010 -17.499 8.709 1.00 41.22 H new ATOM 0 HB2 PHE A 48 2.664 -16.334 11.436 1.00 32.42 H new ATOM 0 HB3 PHE A 48 1.370 -15.870 10.350 1.00 32.42 H new ATOM 0 HD1 PHE A 48 -0.534 -17.581 9.970 1.00 50.14 H new ATOM 0 HD2 PHE A 48 2.303 -17.876 13.129 1.00 24.03 H new ATOM 0 HE1 PHE A 48 -2.066 -19.048 11.206 1.00 54.31 H new ATOM 0 HE2 PHE A 48 0.776 -19.330 14.367 1.00 32.12 H new ATOM 0 HZ PHE A 48 -1.407 -19.931 13.408 1.00 1.21 H new ATOM 804 N ALA A 49 3.543 -15.435 8.371 1.00 13.43 N ATOM 805 CA ALA A 49 4.509 -14.423 8.042 1.00 50.44 C ATOM 806 C ALA A 49 3.854 -13.054 8.102 1.00 74.14 C ATOM 807 O ALA A 49 2.709 -12.874 7.656 1.00 60.42 O ATOM 808 CB ALA A 49 5.119 -14.670 6.664 1.00 52.35 C ATOM 0 H ALA A 49 2.632 -15.312 7.928 1.00 13.43 H new ATOM 0 HA ALA A 49 5.318 -14.464 8.771 1.00 50.44 H new ATOM 0 HB1 ALA A 49 5.846 -13.889 6.443 1.00 52.35 H new ATOM 0 HB2 ALA A 49 5.615 -15.640 6.654 1.00 52.35 H new ATOM 0 HB3 ALA A 49 4.332 -14.657 5.910 1.00 52.35 H new ATOM 814 N PHE A 50 4.588 -12.114 8.673 1.00 23.30 N ATOM 815 CA PHE A 50 4.207 -10.718 8.696 1.00 14.43 C ATOM 816 C PHE A 50 5.165 -9.946 7.817 1.00 40.51 C ATOM 817 O PHE A 50 6.383 -9.958 8.060 1.00 21.22 O ATOM 818 CB PHE A 50 4.249 -10.158 10.122 1.00 21.25 C ATOM 819 CG PHE A 50 2.896 -9.956 10.745 1.00 13.12 C ATOM 820 CD1 PHE A 50 1.910 -9.242 10.083 1.00 63.41 C ATOM 821 CD2 PHE A 50 2.618 -10.463 12.006 1.00 50.53 C ATOM 822 CE1 PHE A 50 0.673 -9.038 10.659 1.00 20.35 C ATOM 823 CE2 PHE A 50 1.381 -10.262 12.588 1.00 64.33 C ATOM 824 CZ PHE A 50 0.408 -9.549 11.913 1.00 44.53 C ATOM 0 H PHE A 50 5.475 -12.304 9.138 1.00 23.30 H new ATOM 0 HA PHE A 50 3.186 -10.620 8.328 1.00 14.43 H new ATOM 0 HB2 PHE A 50 4.828 -10.836 10.749 1.00 21.25 H new ATOM 0 HB3 PHE A 50 4.777 -9.205 10.110 1.00 21.25 H new ATOM 0 HD1 PHE A 50 2.113 -8.839 9.102 1.00 63.41 H new ATOM 0 HD2 PHE A 50 3.375 -11.020 12.538 1.00 50.53 H new ATOM 0 HE1 PHE A 50 -0.085 -8.480 10.130 1.00 20.35 H new ATOM 0 HE2 PHE A 50 1.174 -10.662 13.570 1.00 64.33 H new ATOM 0 HZ PHE A 50 -0.559 -9.392 12.367 1.00 44.53 H new ATOM 834 N ILE A 51 4.635 -9.291 6.781 1.00 40.31 N ATOM 835 CA ILE A 51 5.509 -8.570 5.841 1.00 71.52 C ATOM 836 C ILE A 51 5.106 -7.089 5.733 1.00 15.03 C ATOM 837 O ILE A 51 4.045 -6.752 5.218 1.00 13.21 O ATOM 838 CB ILE A 51 5.564 -9.222 4.413 1.00 52.44 C ATOM 839 CG1 ILE A 51 5.740 -10.756 4.465 1.00 50.20 C ATOM 840 CG2 ILE A 51 6.732 -8.641 3.629 1.00 15.33 C ATOM 841 CD1 ILE A 51 4.438 -11.537 4.480 1.00 12.15 C ATOM 0 H ILE A 51 3.638 -9.242 6.572 1.00 40.31 H new ATOM 0 HA ILE A 51 6.514 -8.641 6.258 1.00 71.52 H new ATOM 0 HB ILE A 51 4.611 -9.001 3.932 1.00 52.44 H new ATOM 0 HG12 ILE A 51 6.329 -11.071 3.603 1.00 50.20 H new ATOM 0 HG13 ILE A 51 6.314 -11.014 5.355 1.00 50.20 H new ATOM 0 HG21 ILE A 51 6.767 -9.095 2.639 1.00 15.33 H new ATOM 0 HG22 ILE A 51 6.603 -7.563 3.529 1.00 15.33 H new ATOM 0 HG23 ILE A 51 7.663 -8.848 4.157 1.00 15.33 H new ATOM 0 HD11 ILE A 51 4.655 -12.605 4.517 1.00 12.15 H new ATOM 0 HD12 ILE A 51 3.854 -11.255 5.356 1.00 12.15 H new ATOM 0 HD13 ILE A 51 3.869 -11.313 3.578 1.00 12.15 H new ATOM 853 N GLU A 52 6.000 -6.221 6.197 1.00 32.31 N ATOM 854 CA GLU A 52 5.710 -4.795 6.386 1.00 41.01 C ATOM 855 C GLU A 52 6.096 -3.971 5.149 1.00 15.31 C ATOM 856 O GLU A 52 7.266 -3.926 4.773 1.00 61.34 O ATOM 857 CB GLU A 52 6.485 -4.327 7.620 1.00 1.35 C ATOM 858 CG GLU A 52 6.048 -3.002 8.214 1.00 23.11 C ATOM 859 CD GLU A 52 6.784 -2.706 9.503 1.00 54.24 C ATOM 860 OE1 GLU A 52 6.490 -3.375 10.523 1.00 4.21 O ATOM 861 OE2 GLU A 52 7.654 -1.818 9.502 1.00 52.12 O ATOM 0 H GLU A 52 6.951 -6.484 6.455 1.00 32.31 H new ATOM 0 HA GLU A 52 4.639 -4.650 6.530 1.00 41.01 H new ATOM 0 HB2 GLU A 52 6.401 -5.094 8.390 1.00 1.35 H new ATOM 0 HB3 GLU A 52 7.540 -4.254 7.356 1.00 1.35 H new ATOM 0 HG2 GLU A 52 6.231 -2.202 7.497 1.00 23.11 H new ATOM 0 HG3 GLU A 52 4.975 -3.022 8.402 1.00 23.11 H new ATOM 868 N PHE A 53 5.093 -3.357 4.504 1.00 50.42 N ATOM 869 CA PHE A 53 5.318 -2.588 3.268 1.00 42.23 C ATOM 870 C PHE A 53 5.157 -1.096 3.441 1.00 44.11 C ATOM 871 O PHE A 53 4.442 -0.634 4.325 1.00 55.32 O ATOM 872 CB PHE A 53 4.405 -3.046 2.143 1.00 52.01 C ATOM 873 CG PHE A 53 4.805 -4.370 1.590 1.00 71.10 C ATOM 874 CD1 PHE A 53 6.128 -4.616 1.262 1.00 71.51 C ATOM 875 CD2 PHE A 53 3.878 -5.360 1.409 1.00 1.23 C ATOM 876 CE1 PHE A 53 6.509 -5.829 0.768 1.00 62.51 C ATOM 877 CE2 PHE A 53 4.257 -6.582 0.911 1.00 34.34 C ATOM 878 CZ PHE A 53 5.570 -6.814 0.592 1.00 15.24 C ATOM 0 H PHE A 53 4.122 -3.377 4.815 1.00 50.42 H new ATOM 0 HA PHE A 53 6.358 -2.787 3.010 1.00 42.23 H new ATOM 0 HB2 PHE A 53 3.381 -3.104 2.511 1.00 52.01 H new ATOM 0 HB3 PHE A 53 4.416 -2.304 1.345 1.00 52.01 H new ATOM 0 HD1 PHE A 53 6.866 -3.839 1.399 1.00 71.51 H new ATOM 0 HD2 PHE A 53 2.843 -5.179 1.659 1.00 1.23 H new ATOM 0 HE1 PHE A 53 7.543 -6.013 0.517 1.00 62.51 H new ATOM 0 HE2 PHE A 53 3.521 -7.360 0.771 1.00 34.34 H new ATOM 0 HZ PHE A 53 5.866 -7.776 0.201 1.00 15.24 H new ATOM 888 N GLU A 54 5.857 -0.347 2.593 1.00 30.40 N ATOM 889 CA GLU A 54 5.694 1.098 2.510 1.00 32.30 C ATOM 890 C GLU A 54 4.499 1.498 1.606 1.00 62.02 C ATOM 891 O GLU A 54 3.810 2.481 1.897 1.00 14.30 O ATOM 892 CB GLU A 54 7.046 1.751 2.109 1.00 32.42 C ATOM 893 CG GLU A 54 7.070 2.583 0.828 1.00 23.44 C ATOM 894 CD GLU A 54 8.379 3.338 0.655 1.00 4.10 C ATOM 895 OE1 GLU A 54 8.500 4.459 1.201 1.00 63.14 O ATOM 896 OE2 GLU A 54 9.287 2.808 -0.016 1.00 31.45 O ATOM 0 H GLU A 54 6.550 -0.725 1.947 1.00 30.40 H new ATOM 0 HA GLU A 54 5.429 1.491 3.492 1.00 32.30 H new ATOM 0 HB2 GLU A 54 7.369 2.389 2.932 1.00 32.42 H new ATOM 0 HB3 GLU A 54 7.787 0.958 2.010 1.00 32.42 H new ATOM 0 HG2 GLU A 54 6.914 1.929 -0.030 1.00 23.44 H new ATOM 0 HG3 GLU A 54 6.243 3.293 0.843 1.00 23.44 H new ATOM 903 N ASP A 55 4.228 0.724 0.537 1.00 33.31 N ATOM 904 CA ASP A 55 3.145 1.079 -0.394 1.00 74.41 C ATOM 905 C ASP A 55 2.093 -0.014 -0.539 1.00 73.12 C ATOM 906 O ASP A 55 2.399 -1.182 -0.789 1.00 4.45 O ATOM 907 CB ASP A 55 3.681 1.469 -1.773 1.00 3.31 C ATOM 908 CG ASP A 55 3.283 2.886 -2.148 1.00 65.21 C ATOM 909 OD1 ASP A 55 2.117 3.264 -1.906 1.00 3.34 O ATOM 910 OD2 ASP A 55 4.122 3.627 -2.689 1.00 2.41 O ATOM 0 H ASP A 55 4.732 -0.131 0.302 1.00 33.31 H new ATOM 0 HA ASP A 55 2.658 1.945 0.054 1.00 74.41 H new ATOM 0 HB2 ASP A 55 4.768 1.382 -1.779 1.00 3.31 H new ATOM 0 HB3 ASP A 55 3.301 0.774 -2.522 1.00 3.31 H new ATOM 915 N ALA A 56 0.841 0.415 -0.382 1.00 52.43 N ATOM 916 CA ALA A 56 -0.320 -0.474 -0.382 1.00 44.31 C ATOM 917 C ALA A 56 -0.736 -0.971 -1.773 1.00 54.31 C ATOM 918 O ALA A 56 -1.019 -2.152 -1.952 1.00 31.13 O ATOM 919 CB ALA A 56 -1.501 0.226 0.273 1.00 2.03 C ATOM 0 H ALA A 56 0.602 1.398 -0.250 1.00 52.43 H new ATOM 0 HA ALA A 56 -0.019 -1.357 0.182 1.00 44.31 H new ATOM 0 HB1 ALA A 56 -2.365 -0.439 0.271 1.00 2.03 H new ATOM 0 HB2 ALA A 56 -1.246 0.487 1.300 1.00 2.03 H new ATOM 0 HB3 ALA A 56 -1.740 1.133 -0.283 1.00 2.03 H new ATOM 925 N ARG A 57 -0.796 -0.049 -2.745 1.00 62.04 N ATOM 926 CA ARG A 57 -1.366 -0.337 -4.077 1.00 33.22 C ATOM 927 C ARG A 57 -0.425 -1.138 -4.978 1.00 34.25 C ATOM 928 O ARG A 57 -0.888 -1.834 -5.884 1.00 42.55 O ATOM 929 CB ARG A 57 -1.871 0.946 -4.801 1.00 3.35 C ATOM 930 CG ARG A 57 -0.812 1.935 -5.319 1.00 34.32 C ATOM 931 CD ARG A 57 -0.077 2.648 -4.196 1.00 54.40 C ATOM 932 NE ARG A 57 0.525 3.912 -4.629 1.00 30.15 N ATOM 933 CZ ARG A 57 0.192 5.125 -4.169 1.00 65.41 C ATOM 934 NH1 ARG A 57 -0.747 5.252 -3.229 1.00 35.23 N ATOM 935 NH2 ARG A 57 0.822 6.204 -4.624 1.00 5.14 N ATOM 0 H ARG A 57 -0.456 0.907 -2.637 1.00 62.04 H new ATOM 0 HA ARG A 57 -2.232 -0.970 -3.882 1.00 33.22 H new ATOM 0 HB2 ARG A 57 -2.483 0.635 -5.648 1.00 3.35 H new ATOM 0 HB3 ARG A 57 -2.526 1.483 -4.115 1.00 3.35 H new ATOM 0 HG2 ARG A 57 -0.091 1.399 -5.937 1.00 34.32 H new ATOM 0 HG3 ARG A 57 -1.293 2.674 -5.960 1.00 34.32 H new ATOM 0 HD2 ARG A 57 -0.771 2.842 -3.378 1.00 54.40 H new ATOM 0 HD3 ARG A 57 0.702 1.994 -3.804 1.00 54.40 H new ATOM 0 HE ARG A 57 1.257 3.864 -5.338 1.00 30.15 H new ATOM 0 HH11 ARG A 57 -1.213 4.424 -2.859 1.00 35.23 H new ATOM 0 HH12 ARG A 57 -0.998 6.177 -2.881 1.00 35.23 H new ATOM 0 HH21 ARG A 57 1.559 6.108 -5.323 1.00 5.14 H new ATOM 0 HH22 ARG A 57 0.569 7.128 -4.274 1.00 5.14 H new ATOM 949 N ASP A 58 0.879 -1.039 -4.731 1.00 3.32 N ATOM 950 CA ASP A 58 1.866 -1.777 -5.520 1.00 63.14 C ATOM 951 C ASP A 58 1.871 -3.246 -5.081 1.00 25.25 C ATOM 952 O ASP A 58 1.966 -4.170 -5.896 1.00 53.01 O ATOM 953 CB ASP A 58 3.253 -1.147 -5.340 1.00 51.14 C ATOM 954 CG ASP A 58 4.150 -1.337 -6.555 1.00 20.44 C ATOM 955 OD1 ASP A 58 4.005 -0.552 -7.514 1.00 52.12 O ATOM 956 OD2 ASP A 58 4.998 -2.254 -6.545 1.00 32.12 O ATOM 0 H ASP A 58 1.277 -0.457 -3.994 1.00 3.32 H new ATOM 0 HA ASP A 58 1.605 -1.729 -6.577 1.00 63.14 H new ATOM 0 HB2 ASP A 58 3.140 -0.081 -5.141 1.00 51.14 H new ATOM 0 HB3 ASP A 58 3.735 -1.585 -4.466 1.00 51.14 H new ATOM 961 N ALA A 59 1.688 -3.434 -3.767 1.00 13.43 N ATOM 962 CA ALA A 59 1.609 -4.750 -3.129 1.00 71.44 C ATOM 963 C ALA A 59 0.322 -5.487 -3.507 1.00 61.32 C ATOM 964 O ALA A 59 0.273 -6.721 -3.496 1.00 3.14 O ATOM 965 CB ALA A 59 1.707 -4.600 -1.616 1.00 52.42 C ATOM 0 H ALA A 59 1.589 -2.661 -3.109 1.00 13.43 H new ATOM 0 HA ALA A 59 2.447 -5.347 -3.489 1.00 71.44 H new ATOM 0 HB1 ALA A 59 1.647 -5.583 -1.148 1.00 52.42 H new ATOM 0 HB2 ALA A 59 2.657 -4.132 -1.358 1.00 52.42 H new ATOM 0 HB3 ALA A 59 0.887 -3.978 -1.258 1.00 52.42 H new ATOM 971 N ALA A 60 -0.716 -4.700 -3.809 1.00 52.33 N ATOM 972 CA ALA A 60 -2.066 -5.193 -4.120 1.00 73.31 C ATOM 973 C ALA A 60 -2.121 -6.187 -5.298 1.00 12.33 C ATOM 974 O ALA A 60 -2.937 -7.107 -5.270 1.00 1.32 O ATOM 975 CB ALA A 60 -2.985 -4.019 -4.424 1.00 2.10 C ATOM 0 H ALA A 60 -0.642 -3.683 -3.845 1.00 52.33 H new ATOM 0 HA ALA A 60 -2.394 -5.737 -3.234 1.00 73.31 H new ATOM 0 HB1 ALA A 60 -3.984 -4.389 -4.654 1.00 2.10 H new ATOM 0 HB2 ALA A 60 -3.033 -3.360 -3.557 1.00 2.10 H new ATOM 0 HB3 ALA A 60 -2.597 -3.466 -5.279 1.00 2.10 H new ATOM 981 N ASP A 61 -1.265 -5.975 -6.317 1.00 65.51 N ATOM 982 CA ASP A 61 -1.218 -6.844 -7.517 1.00 2.03 C ATOM 983 C ASP A 61 -0.667 -8.233 -7.217 1.00 25.42 C ATOM 984 O ASP A 61 -1.164 -9.260 -7.706 1.00 42.22 O ATOM 985 CB ASP A 61 -0.403 -6.198 -8.633 1.00 22.04 C ATOM 986 CG ASP A 61 -1.303 -5.482 -9.611 1.00 13.40 C ATOM 987 OD1 ASP A 61 -1.676 -4.320 -9.354 1.00 10.30 O ATOM 988 OD2 ASP A 61 -1.645 -6.092 -10.642 1.00 10.22 O ATOM 0 H ASP A 61 -0.593 -5.208 -6.336 1.00 65.51 H new ATOM 0 HA ASP A 61 -2.251 -6.962 -7.845 1.00 2.03 H new ATOM 0 HB2 ASP A 61 0.311 -5.493 -8.206 1.00 22.04 H new ATOM 0 HB3 ASP A 61 0.175 -6.961 -9.155 1.00 22.04 H new ATOM 993 N ALA A 62 0.356 -8.274 -6.393 1.00 71.15 N ATOM 994 CA ALA A 62 0.961 -9.526 -5.991 1.00 73.20 C ATOM 995 C ALA A 62 0.082 -10.243 -4.956 1.00 4.14 C ATOM 996 O ALA A 62 -0.090 -11.458 -4.995 1.00 14.02 O ATOM 997 CB ALA A 62 2.352 -9.262 -5.478 1.00 33.21 C ATOM 0 H ALA A 62 0.791 -7.447 -5.984 1.00 71.15 H new ATOM 0 HA ALA A 62 1.039 -10.194 -6.849 1.00 73.20 H new ATOM 0 HB1 ALA A 62 2.812 -10.202 -5.174 1.00 33.21 H new ATOM 0 HB2 ALA A 62 2.950 -8.804 -6.266 1.00 33.21 H new ATOM 0 HB3 ALA A 62 2.303 -8.589 -4.622 1.00 33.21 H new ATOM 1003 N ILE A 63 -0.546 -9.476 -4.079 1.00 45.42 N ATOM 1004 CA ILE A 63 -1.450 -10.040 -3.112 1.00 54.14 C ATOM 1005 C ILE A 63 -2.724 -10.577 -3.807 1.00 15.22 C ATOM 1006 O ILE A 63 -3.339 -11.505 -3.303 1.00 4.23 O ATOM 1007 CB ILE A 63 -1.721 -9.042 -1.941 1.00 41.12 C ATOM 1008 CG1 ILE A 63 -1.402 -9.709 -0.585 1.00 4.34 C ATOM 1009 CG2 ILE A 63 -3.141 -8.440 -1.949 1.00 54.43 C ATOM 1010 CD1 ILE A 63 -2.279 -10.897 -0.236 1.00 2.23 C ATOM 0 H ILE A 63 -0.441 -8.463 -4.024 1.00 45.42 H new ATOM 0 HA ILE A 63 -0.984 -10.906 -2.642 1.00 54.14 H new ATOM 0 HB ILE A 63 -1.050 -8.197 -2.094 1.00 41.12 H new ATOM 0 HG12 ILE A 63 -0.361 -10.034 -0.592 1.00 4.34 H new ATOM 0 HG13 ILE A 63 -1.497 -8.962 0.203 1.00 4.34 H new ATOM 0 HG21 ILE A 63 -3.252 -7.758 -1.106 1.00 54.43 H new ATOM 0 HG22 ILE A 63 -3.300 -7.896 -2.880 1.00 54.43 H new ATOM 0 HG23 ILE A 63 -3.876 -9.241 -1.867 1.00 54.43 H new ATOM 0 HD11 ILE A 63 -1.980 -11.298 0.732 1.00 2.23 H new ATOM 0 HD12 ILE A 63 -3.321 -10.580 -0.191 1.00 2.23 H new ATOM 0 HD13 ILE A 63 -2.167 -11.668 -0.998 1.00 2.23 H new ATOM 1022 N LYS A 64 -3.126 -9.985 -4.957 1.00 5.25 N ATOM 1023 CA LYS A 64 -4.191 -10.582 -5.780 1.00 4.24 C ATOM 1024 C LYS A 64 -3.669 -11.751 -6.630 1.00 51.34 C ATOM 1025 O LYS A 64 -4.459 -12.623 -7.022 1.00 71.21 O ATOM 1026 CB LYS A 64 -4.987 -9.541 -6.616 1.00 43.43 C ATOM 1027 CG LYS A 64 -4.198 -8.830 -7.700 1.00 11.35 C ATOM 1028 CD LYS A 64 -4.457 -9.383 -9.109 1.00 32.10 C ATOM 1029 CE LYS A 64 -3.539 -8.728 -10.136 1.00 14.01 C ATOM 1030 NZ LYS A 64 -3.718 -9.282 -11.507 1.00 43.41 N ATOM 0 H LYS A 64 -2.737 -9.117 -5.324 1.00 5.25 H new ATOM 0 HA LYS A 64 -4.916 -10.996 -5.080 1.00 4.24 H new ATOM 0 HB2 LYS A 64 -5.834 -10.046 -7.080 1.00 43.43 H new ATOM 0 HB3 LYS A 64 -5.395 -8.792 -5.937 1.00 43.43 H new ATOM 0 HG2 LYS A 64 -4.447 -7.769 -7.683 1.00 11.35 H new ATOM 0 HG3 LYS A 64 -3.134 -8.911 -7.476 1.00 11.35 H new ATOM 0 HD2 LYS A 64 -4.301 -10.462 -9.113 1.00 32.10 H new ATOM 0 HD3 LYS A 64 -5.497 -9.210 -9.385 1.00 32.10 H new ATOM 0 HE2 LYS A 64 -3.730 -7.655 -10.155 1.00 14.01 H new ATOM 0 HE3 LYS A 64 -2.502 -8.862 -9.827 1.00 14.01 H new ATOM 0 HZ1 LYS A 64 -3.070 -8.801 -12.163 1.00 43.41 H new ATOM 0 HZ2 LYS A 64 -3.510 -10.301 -11.500 1.00 43.41 H new ATOM 0 HZ3 LYS A 64 -4.699 -9.131 -11.817 1.00 43.41 H new ATOM 1044 N GLU A 65 -2.346 -11.791 -6.908 1.00 10.31 N ATOM 1045 CA GLU A 65 -1.763 -12.972 -7.569 1.00 32.04 C ATOM 1046 C GLU A 65 -1.765 -14.190 -6.621 1.00 44.24 C ATOM 1047 O GLU A 65 -1.866 -15.328 -7.091 1.00 31.54 O ATOM 1048 CB GLU A 65 -0.369 -12.691 -8.235 1.00 55.00 C ATOM 1049 CG GLU A 65 0.909 -12.932 -7.402 1.00 44.32 C ATOM 1050 CD GLU A 65 1.465 -14.343 -7.488 1.00 33.00 C ATOM 1051 OE1 GLU A 65 1.882 -14.763 -8.596 1.00 75.41 O ATOM 1052 OE2 GLU A 65 1.511 -15.035 -6.448 1.00 41.30 O ATOM 0 H GLU A 65 -1.685 -11.045 -6.692 1.00 10.31 H new ATOM 0 HA GLU A 65 -2.409 -13.224 -8.410 1.00 32.04 H new ATOM 0 HB2 GLU A 65 -0.301 -13.306 -9.132 1.00 55.00 H new ATOM 0 HB3 GLU A 65 -0.361 -11.651 -8.560 1.00 55.00 H new ATOM 0 HG2 GLU A 65 1.678 -12.232 -7.730 1.00 44.32 H new ATOM 0 HG3 GLU A 65 0.695 -12.703 -6.358 1.00 44.32 H new ATOM 1059 N LYS A 66 -1.676 -13.975 -5.284 1.00 34.22 N ATOM 1060 CA LYS A 66 -1.926 -15.119 -4.364 1.00 62.43 C ATOM 1061 C LYS A 66 -3.302 -15.082 -3.636 1.00 10.54 C ATOM 1062 O LYS A 66 -3.558 -15.913 -2.780 1.00 11.13 O ATOM 1063 CB LYS A 66 -0.774 -15.380 -3.360 1.00 60.13 C ATOM 1064 CG LYS A 66 -0.314 -14.213 -2.467 1.00 74.52 C ATOM 1065 CD LYS A 66 0.939 -13.497 -2.988 1.00 52.31 C ATOM 1066 CE LYS A 66 2.125 -14.420 -3.269 1.00 54.43 C ATOM 1067 NZ LYS A 66 2.534 -15.224 -2.093 1.00 61.43 N ATOM 0 H LYS A 66 -1.449 -13.086 -4.839 1.00 34.22 H new ATOM 0 HA LYS A 66 -1.963 -15.971 -5.043 1.00 62.43 H new ATOM 0 HB2 LYS A 66 -1.078 -16.199 -2.708 1.00 60.13 H new ATOM 0 HB3 LYS A 66 0.090 -15.728 -3.926 1.00 60.13 H new ATOM 0 HG2 LYS A 66 -1.126 -13.491 -2.381 1.00 74.52 H new ATOM 0 HG3 LYS A 66 -0.116 -14.590 -1.464 1.00 74.52 H new ATOM 0 HD2 LYS A 66 0.684 -12.965 -3.904 1.00 52.31 H new ATOM 0 HD3 LYS A 66 1.243 -12.747 -2.258 1.00 52.31 H new ATOM 0 HE2 LYS A 66 1.868 -15.092 -4.088 1.00 54.43 H new ATOM 0 HE3 LYS A 66 2.972 -13.820 -3.603 1.00 54.43 H new ATOM 0 HZ1 LYS A 66 3.341 -15.828 -2.349 1.00 61.43 H new ATOM 0 HZ2 LYS A 66 2.809 -14.589 -1.317 1.00 61.43 H new ATOM 0 HZ3 LYS A 66 1.739 -15.821 -1.787 1.00 61.43 H new ATOM 1081 N ASP A 67 -4.180 -14.150 -4.006 1.00 14.20 N ATOM 1082 CA ASP A 67 -5.581 -14.090 -3.494 1.00 65.55 C ATOM 1083 C ASP A 67 -6.428 -15.251 -4.048 1.00 62.33 C ATOM 1084 O ASP A 67 -6.155 -15.728 -5.156 1.00 24.41 O ATOM 1085 CB ASP A 67 -6.254 -12.742 -3.777 1.00 73.13 C ATOM 1086 CG ASP A 67 -7.603 -12.585 -3.085 1.00 45.24 C ATOM 1087 OD1 ASP A 67 -7.693 -12.878 -1.871 1.00 64.44 O ATOM 1088 OD2 ASP A 67 -8.584 -12.218 -3.764 1.00 52.41 O ATOM 0 H ASP A 67 -3.956 -13.408 -4.669 1.00 14.20 H new ATOM 0 HA ASP A 67 -5.519 -14.194 -2.411 1.00 65.55 H new ATOM 0 HB2 ASP A 67 -5.592 -11.938 -3.454 1.00 73.13 H new ATOM 0 HB3 ASP A 67 -6.390 -12.630 -4.853 1.00 73.13 H new ATOM 1093 N GLY A 68 -7.471 -15.681 -3.322 1.00 73.30 N ATOM 1094 CA GLY A 68 -7.948 -17.037 -3.492 1.00 62.45 C ATOM 1095 C GLY A 68 -7.762 -17.872 -2.245 1.00 4.52 C ATOM 1096 O GLY A 68 -7.653 -19.084 -2.320 1.00 53.33 O ATOM 0 H GLY A 68 -7.978 -15.121 -2.636 1.00 73.30 H new ATOM 0 HA2 GLY A 68 -9.005 -17.017 -3.759 1.00 62.45 H new ATOM 0 HA3 GLY A 68 -7.418 -17.505 -4.322 1.00 62.45 H new ATOM 1100 N CYS A 69 -7.681 -17.181 -1.099 1.00 51.44 N ATOM 1101 CA CYS A 69 -7.462 -17.798 0.211 1.00 65.43 C ATOM 1102 C CYS A 69 -8.519 -18.869 0.529 1.00 1.11 C ATOM 1103 O CYS A 69 -9.729 -18.665 0.338 1.00 13.22 O ATOM 1104 CB CYS A 69 -7.532 -16.675 1.262 1.00 43.54 C ATOM 1105 SG CYS A 69 -7.706 -17.214 2.992 1.00 34.02 S ATOM 0 H CYS A 69 -7.767 -16.165 -1.059 1.00 51.44 H new ATOM 0 HA CYS A 69 -6.493 -18.297 0.217 1.00 65.43 H new ATOM 0 HB2 CYS A 69 -6.629 -16.070 1.179 1.00 43.54 H new ATOM 0 HB3 CYS A 69 -8.374 -16.027 1.017 1.00 43.54 H new ATOM 0 HG CYS A 69 -7.750 -16.172 3.769 1.00 34.02 H new ATOM 1111 N ASP A 70 -8.033 -19.996 1.073 1.00 72.40 N ATOM 1112 CA ASP A 70 -8.842 -21.206 1.226 1.00 71.24 C ATOM 1113 C ASP A 70 -8.902 -21.699 2.658 1.00 61.22 C ATOM 1114 O ASP A 70 -7.909 -21.635 3.413 1.00 12.50 O ATOM 1115 CB ASP A 70 -8.309 -22.340 0.353 1.00 23.15 C ATOM 1116 CG ASP A 70 -8.530 -22.119 -1.123 1.00 54.31 C ATOM 1117 OD1 ASP A 70 -9.699 -22.075 -1.553 1.00 35.14 O ATOM 1118 OD2 ASP A 70 -7.528 -22.036 -1.862 1.00 65.14 O ATOM 0 H ASP A 70 -7.077 -20.090 1.415 1.00 72.40 H new ATOM 0 HA ASP A 70 -9.847 -20.925 0.913 1.00 71.24 H new ATOM 0 HB2 ASP A 70 -7.242 -22.459 0.538 1.00 23.15 H new ATOM 0 HB3 ASP A 70 -8.790 -23.272 0.649 1.00 23.15 H new ATOM 1123 N PHE A 71 -10.082 -22.257 2.950 1.00 24.33 N ATOM 1124 CA PHE A 71 -10.529 -22.714 4.265 1.00 64.35 C ATOM 1125 C PHE A 71 -11.362 -24.012 4.128 1.00 10.12 C ATOM 1126 O PHE A 71 -12.030 -24.192 3.101 1.00 61.34 O ATOM 1127 CB PHE A 71 -11.326 -21.627 5.025 1.00 61.21 C ATOM 1128 CG PHE A 71 -12.151 -20.698 4.164 1.00 71.20 C ATOM 1129 CD1 PHE A 71 -13.348 -21.116 3.599 1.00 42.50 C ATOM 1130 CD2 PHE A 71 -11.718 -19.401 3.927 1.00 61.22 C ATOM 1131 CE1 PHE A 71 -14.102 -20.252 2.828 1.00 44.55 C ATOM 1132 CE2 PHE A 71 -12.466 -18.537 3.159 1.00 32.32 C ATOM 1133 CZ PHE A 71 -13.655 -18.963 2.601 1.00 74.22 C ATOM 0 H PHE A 71 -10.790 -22.409 2.231 1.00 24.33 H new ATOM 0 HA PHE A 71 -9.638 -22.925 4.857 1.00 64.35 H new ATOM 0 HB2 PHE A 71 -11.990 -22.119 5.736 1.00 61.21 H new ATOM 0 HB3 PHE A 71 -10.625 -21.028 5.606 1.00 61.21 H new ATOM 0 HD1 PHE A 71 -13.693 -22.126 3.764 1.00 42.50 H new ATOM 0 HD2 PHE A 71 -10.783 -19.065 4.350 1.00 61.22 H new ATOM 0 HE1 PHE A 71 -15.038 -20.583 2.404 1.00 44.55 H new ATOM 0 HE2 PHE A 71 -12.123 -17.526 2.993 1.00 32.32 H new ATOM 0 HZ PHE A 71 -14.236 -18.290 1.988 1.00 74.22 H new ATOM 1143 N GLU A 72 -11.251 -24.924 5.135 1.00 25.03 N ATOM 1144 CA GLU A 72 -12.011 -26.212 5.194 1.00 25.43 C ATOM 1145 C GLU A 72 -11.521 -27.284 4.200 1.00 74.51 C ATOM 1146 O GLU A 72 -12.172 -27.612 3.210 1.00 13.50 O ATOM 1147 CB GLU A 72 -13.536 -26.026 5.076 1.00 34.32 C ATOM 1148 CG GLU A 72 -14.171 -25.266 6.240 1.00 23.31 C ATOM 1149 CD GLU A 72 -15.684 -25.211 6.146 1.00 22.15 C ATOM 1150 OE1 GLU A 72 -16.358 -26.134 6.668 1.00 20.32 O ATOM 1151 OE2 GLU A 72 -16.201 -24.236 5.555 1.00 21.04 O ATOM 0 H GLU A 72 -10.630 -24.788 5.933 1.00 25.03 H new ATOM 0 HA GLU A 72 -11.795 -26.588 6.194 1.00 25.43 H new ATOM 0 HB2 GLU A 72 -13.754 -25.495 4.149 1.00 34.32 H new ATOM 0 HB3 GLU A 72 -14.005 -27.007 5.000 1.00 34.32 H new ATOM 0 HG2 GLU A 72 -13.886 -25.742 7.178 1.00 23.31 H new ATOM 0 HG3 GLU A 72 -13.775 -24.251 6.265 1.00 23.31 H new ATOM 1158 N GLY A 73 -10.297 -27.749 4.458 1.00 23.15 N ATOM 1159 CA GLY A 73 -9.724 -28.892 3.747 1.00 73.14 C ATOM 1160 C GLY A 73 -8.747 -28.516 2.645 1.00 73.33 C ATOM 1161 O GLY A 73 -8.017 -29.374 2.147 1.00 52.24 O ATOM 0 H GLY A 73 -9.679 -27.346 5.162 1.00 23.15 H new ATOM 0 HA2 GLY A 73 -9.214 -29.534 4.466 1.00 73.14 H new ATOM 0 HA3 GLY A 73 -10.534 -29.479 3.314 1.00 73.14 H new ATOM 1165 N ASN A 74 -8.714 -27.248 2.277 1.00 55.20 N ATOM 1166 CA ASN A 74 -7.546 -26.689 1.627 1.00 73.12 C ATOM 1167 C ASN A 74 -7.104 -25.514 2.474 1.00 74.43 C ATOM 1168 O ASN A 74 -7.901 -24.631 2.734 1.00 53.20 O ATOM 1169 CB ASN A 74 -7.873 -26.264 0.187 1.00 44.21 C ATOM 1170 CG ASN A 74 -6.623 -25.952 -0.621 1.00 71.15 C ATOM 1171 OD1 ASN A 74 -5.570 -26.543 -0.397 1.00 63.33 O ATOM 1172 ND2 ASN A 74 -6.737 -25.038 -1.569 1.00 72.32 N ATOM 0 H ASN A 74 -9.480 -26.589 2.417 1.00 55.20 H new ATOM 0 HA ASN A 74 -6.745 -27.424 1.549 1.00 73.12 H new ATOM 0 HB2 ASN A 74 -8.432 -27.059 -0.306 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.518 -25.386 0.207 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -5.931 -24.800 -2.148 1.00 72.32 H new ATOM 0 HD22 ASN A 74 -7.631 -24.571 -1.722 1.00 72.32 H new ATOM 1179 N LYS A 75 -5.882 -25.546 2.982 1.00 12.21 N ATOM 1180 CA LYS A 75 -5.379 -24.457 3.818 1.00 31.01 C ATOM 1181 C LYS A 75 -4.544 -23.479 3.008 1.00 23.02 C ATOM 1182 O LYS A 75 -3.494 -23.860 2.490 1.00 5.21 O ATOM 1183 CB LYS A 75 -4.596 -24.935 5.076 1.00 43.21 C ATOM 1184 CG LYS A 75 -4.120 -26.412 5.119 1.00 73.33 C ATOM 1185 CD LYS A 75 -5.264 -27.433 5.370 1.00 11.43 C ATOM 1186 CE LYS A 75 -6.131 -27.120 6.586 1.00 54.21 C ATOM 1187 NZ LYS A 75 -5.378 -27.088 7.849 1.00 73.42 N ATOM 0 H LYS A 75 -5.220 -26.308 2.834 1.00 12.21 H new ATOM 0 HA LYS A 75 -6.267 -23.945 4.190 1.00 31.01 H new ATOM 0 HB2 LYS A 75 -3.718 -24.298 5.185 1.00 43.21 H new ATOM 0 HB3 LYS A 75 -5.227 -24.762 5.948 1.00 43.21 H new ATOM 0 HG2 LYS A 75 -3.631 -26.654 4.176 1.00 73.33 H new ATOM 0 HG3 LYS A 75 -3.371 -26.520 5.903 1.00 73.33 H new ATOM 0 HD2 LYS A 75 -5.900 -27.473 4.486 1.00 11.43 H new ATOM 0 HD3 LYS A 75 -4.829 -28.425 5.494 1.00 11.43 H new ATOM 0 HE2 LYS A 75 -6.617 -26.156 6.437 1.00 54.21 H new ATOM 0 HE3 LYS A 75 -6.921 -27.867 6.662 1.00 54.21 H new ATOM 0 HZ1 LYS A 75 -6.025 -26.871 8.634 1.00 73.42 H new ATOM 0 HZ2 LYS A 75 -4.935 -28.015 8.012 1.00 73.42 H new ATOM 0 HZ3 LYS A 75 -4.641 -26.356 7.795 1.00 73.42 H new ATOM 1201 N LEU A 76 -5.011 -22.220 2.898 1.00 3.11 N ATOM 1202 CA LEU A 76 -4.243 -21.192 2.162 1.00 52.01 C ATOM 1203 C LEU A 76 -4.622 -19.764 2.586 1.00 33.42 C ATOM 1204 O LEU A 76 -5.382 -19.124 1.899 1.00 2.12 O ATOM 1205 CB LEU A 76 -4.466 -21.359 0.633 1.00 45.24 C ATOM 1206 CG LEU A 76 -3.268 -21.833 -0.189 1.00 32.21 C ATOM 1207 CD1 LEU A 76 -3.748 -22.631 -1.387 1.00 14.02 C ATOM 1208 CD2 LEU A 76 -2.435 -20.654 -0.659 1.00 34.31 C ATOM 0 H LEU A 76 -5.892 -21.894 3.297 1.00 3.11 H new ATOM 0 HA LEU A 76 -3.191 -21.339 2.406 1.00 52.01 H new ATOM 0 HB2 LEU A 76 -5.282 -22.066 0.484 1.00 45.24 H new ATOM 0 HB3 LEU A 76 -4.797 -20.401 0.231 1.00 45.24 H new ATOM 0 HG LEU A 76 -2.646 -22.466 0.444 1.00 32.21 H new ATOM 0 HD11 LEU A 76 -2.889 -22.966 -1.969 1.00 14.02 H new ATOM 0 HD12 LEU A 76 -4.314 -23.497 -1.044 1.00 14.02 H new ATOM 0 HD13 LEU A 76 -4.386 -22.004 -2.010 1.00 14.02 H new ATOM 0 HD21 LEU A 76 -1.588 -21.016 -1.242 1.00 34.31 H new ATOM 0 HD22 LEU A 76 -3.048 -19.999 -1.278 1.00 34.31 H new ATOM 0 HD23 LEU A 76 -2.070 -20.099 0.205 1.00 34.31 H new ATOM 1220 N ARG A 77 -4.089 -19.242 3.693 1.00 34.34 N ATOM 1221 CA ARG A 77 -4.474 -17.886 4.108 1.00 43.52 C ATOM 1222 C ARG A 77 -3.423 -16.873 3.643 1.00 34.13 C ATOM 1223 O ARG A 77 -2.262 -16.924 4.026 1.00 44.11 O ATOM 1224 CB ARG A 77 -4.739 -17.837 5.641 1.00 12.34 C ATOM 1225 CG ARG A 77 -4.602 -16.461 6.314 1.00 73.34 C ATOM 1226 CD ARG A 77 -5.620 -15.421 5.841 1.00 14.53 C ATOM 1227 NE ARG A 77 -6.985 -15.686 6.323 1.00 52.22 N ATOM 1228 CZ ARG A 77 -7.645 -14.923 7.218 1.00 22.13 C ATOM 1229 NH1 ARG A 77 -7.068 -13.842 7.759 1.00 3.22 N ATOM 1230 NH2 ARG A 77 -8.894 -15.237 7.562 1.00 43.22 N ATOM 0 H ARG A 77 -3.416 -19.712 4.299 1.00 34.34 H new ATOM 0 HA ARG A 77 -5.412 -17.609 3.627 1.00 43.52 H new ATOM 0 HB2 ARG A 77 -5.747 -18.209 5.826 1.00 12.34 H new ATOM 0 HB3 ARG A 77 -4.050 -18.526 6.129 1.00 12.34 H new ATOM 0 HG2 ARG A 77 -4.703 -16.586 7.392 1.00 73.34 H new ATOM 0 HG3 ARG A 77 -3.598 -16.079 6.130 1.00 73.34 H new ATOM 0 HD2 ARG A 77 -5.307 -14.434 6.181 1.00 14.53 H new ATOM 0 HD3 ARG A 77 -5.625 -15.396 4.751 1.00 14.53 H new ATOM 0 HE ARG A 77 -7.467 -16.506 5.954 1.00 52.22 H new ATOM 0 HH11 ARG A 77 -6.117 -13.586 7.495 1.00 3.22 H new ATOM 0 HH12 ARG A 77 -7.580 -13.275 8.435 1.00 3.22 H new ATOM 0 HH21 ARG A 77 -9.347 -16.052 7.149 1.00 43.22 H new ATOM 0 HH22 ARG A 77 -9.396 -14.662 8.239 1.00 43.22 H new ATOM 1244 N VAL A 78 -3.825 -16.012 2.722 1.00 54.11 N ATOM 1245 CA VAL A 78 -3.022 -14.860 2.340 1.00 63.43 C ATOM 1246 C VAL A 78 -3.902 -13.620 2.301 1.00 32.12 C ATOM 1247 O VAL A 78 -4.829 -13.565 1.488 1.00 64.03 O ATOM 1248 CB VAL A 78 -2.342 -15.048 0.951 1.00 5.35 C ATOM 1249 CG1 VAL A 78 -0.834 -15.037 1.091 1.00 21.43 C ATOM 1250 CG2 VAL A 78 -2.787 -16.328 0.253 1.00 51.43 C ATOM 0 H VAL A 78 -4.710 -16.090 2.221 1.00 54.11 H new ATOM 0 HA VAL A 78 -2.233 -14.750 3.084 1.00 63.43 H new ATOM 0 HB VAL A 78 -2.657 -14.209 0.331 1.00 5.35 H new ATOM 0 HG11 VAL A 78 -0.377 -15.170 0.111 1.00 21.43 H new ATOM 0 HG12 VAL A 78 -0.515 -14.085 1.515 1.00 21.43 H new ATOM 0 HG13 VAL A 78 -0.524 -15.849 1.749 1.00 21.43 H new ATOM 0 HG21 VAL A 78 -2.284 -16.411 -0.710 1.00 51.43 H new ATOM 0 HG22 VAL A 78 -2.530 -17.188 0.872 1.00 51.43 H new ATOM 0 HG23 VAL A 78 -3.866 -16.302 0.098 1.00 51.43 H new ATOM 1260 N GLU A 79 -3.641 -12.634 3.170 1.00 34.45 N ATOM 1261 CA GLU A 79 -4.403 -11.376 3.103 1.00 73.44 C ATOM 1262 C GLU A 79 -3.627 -10.192 3.644 1.00 72.13 C ATOM 1263 O GLU A 79 -2.683 -10.336 4.446 1.00 63.31 O ATOM 1264 CB GLU A 79 -5.783 -11.494 3.797 1.00 71.44 C ATOM 1265 CG GLU A 79 -5.754 -11.943 5.249 1.00 40.24 C ATOM 1266 CD GLU A 79 -5.805 -10.803 6.245 1.00 10.33 C ATOM 1267 OE1 GLU A 79 -6.859 -10.139 6.339 1.00 21.23 O ATOM 1268 OE2 GLU A 79 -4.798 -10.577 6.938 1.00 55.42 O ATOM 0 H GLU A 79 -2.934 -12.676 3.904 1.00 34.45 H new ATOM 0 HA GLU A 79 -4.576 -11.190 2.043 1.00 73.44 H new ATOM 0 HB2 GLU A 79 -6.279 -10.525 3.745 1.00 71.44 H new ATOM 0 HB3 GLU A 79 -6.395 -12.196 3.231 1.00 71.44 H new ATOM 0 HG2 GLU A 79 -6.598 -12.609 5.430 1.00 40.24 H new ATOM 0 HG3 GLU A 79 -4.847 -12.523 5.422 1.00 40.24 H new ATOM 1275 N VAL A 80 -4.002 -9.012 3.162 1.00 10.20 N ATOM 1276 CA VAL A 80 -3.565 -7.781 3.784 1.00 71.51 C ATOM 1277 C VAL A 80 -4.570 -7.327 4.865 1.00 15.42 C ATOM 1278 O VAL A 80 -5.760 -7.147 4.603 1.00 44.22 O ATOM 1279 CB VAL A 80 -3.320 -6.644 2.745 1.00 52.11 C ATOM 1280 CG1 VAL A 80 -2.164 -7.014 1.843 1.00 42.55 C ATOM 1281 CG2 VAL A 80 -4.546 -6.349 1.884 1.00 33.22 C ATOM 0 H VAL A 80 -4.604 -8.889 2.348 1.00 10.20 H new ATOM 0 HA VAL A 80 -2.607 -7.988 4.261 1.00 71.51 H new ATOM 0 HB VAL A 80 -3.094 -5.743 3.315 1.00 52.11 H new ATOM 0 HG11 VAL A 80 -1.997 -6.216 1.119 1.00 42.55 H new ATOM 0 HG12 VAL A 80 -1.265 -7.153 2.443 1.00 42.55 H new ATOM 0 HG13 VAL A 80 -2.396 -7.940 1.316 1.00 42.55 H new ATOM 0 HG21 VAL A 80 -4.313 -5.549 1.181 1.00 33.22 H new ATOM 0 HG22 VAL A 80 -4.828 -7.246 1.333 1.00 33.22 H new ATOM 0 HG23 VAL A 80 -5.374 -6.041 2.523 1.00 33.22 H new ATOM 1291 N PRO A 81 -4.111 -7.142 6.109 1.00 0.31 N ATOM 1292 CA PRO A 81 -4.876 -6.414 7.117 1.00 24.44 C ATOM 1293 C PRO A 81 -4.603 -4.904 7.087 1.00 61.12 C ATOM 1294 O PRO A 81 -5.032 -4.176 7.986 1.00 72.23 O ATOM 1295 CB PRO A 81 -4.400 -7.039 8.429 1.00 14.40 C ATOM 1296 CG PRO A 81 -3.004 -7.498 8.155 1.00 74.10 C ATOM 1297 CD PRO A 81 -2.890 -7.747 6.674 1.00 3.42 C ATOM 0 HA PRO A 81 -5.952 -6.495 6.960 1.00 24.44 H new ATOM 0 HB2 PRO A 81 -4.425 -6.315 9.243 1.00 14.40 H new ATOM 0 HB3 PRO A 81 -5.039 -7.872 8.724 1.00 14.40 H new ATOM 0 HG2 PRO A 81 -2.284 -6.745 8.473 1.00 74.10 H new ATOM 0 HG3 PRO A 81 -2.783 -8.407 8.714 1.00 74.10 H new ATOM 0 HD2 PRO A 81 -1.991 -7.289 6.261 1.00 3.42 H new ATOM 0 HD3 PRO A 81 -2.835 -8.813 6.453 1.00 3.42 H new ATOM 1305 N PHE A 82 -3.881 -4.433 6.062 1.00 43.12 N ATOM 1306 CA PHE A 82 -3.646 -3.005 5.917 1.00 11.43 C ATOM 1307 C PHE A 82 -4.636 -2.359 4.940 1.00 70.34 C ATOM 1308 O PHE A 82 -4.743 -1.128 4.901 1.00 60.15 O ATOM 1309 CB PHE A 82 -2.165 -2.677 5.544 1.00 11.22 C ATOM 1310 CG PHE A 82 -1.598 -3.156 4.205 1.00 64.40 C ATOM 1311 CD1 PHE A 82 -2.056 -2.661 2.995 1.00 1.24 C ATOM 1312 CD2 PHE A 82 -0.525 -4.032 4.173 1.00 3.44 C ATOM 1313 CE1 PHE A 82 -1.471 -3.036 1.807 1.00 63.41 C ATOM 1314 CE2 PHE A 82 0.056 -4.414 2.991 1.00 4.05 C ATOM 1315 CZ PHE A 82 -0.417 -3.913 1.802 1.00 4.54 C ATOM 0 H PHE A 82 -3.460 -5.014 5.337 1.00 43.12 H new ATOM 0 HA PHE A 82 -3.824 -2.562 6.897 1.00 11.43 H new ATOM 0 HB2 PHE A 82 -2.053 -1.593 5.576 1.00 11.22 H new ATOM 0 HB3 PHE A 82 -1.532 -3.087 6.331 1.00 11.22 H new ATOM 0 HD1 PHE A 82 -2.886 -1.970 2.984 1.00 1.24 H new ATOM 0 HD2 PHE A 82 -0.137 -4.424 5.102 1.00 3.44 H new ATOM 0 HE1 PHE A 82 -1.844 -2.638 0.875 1.00 63.41 H new ATOM 0 HE2 PHE A 82 0.884 -5.107 2.995 1.00 4.05 H new ATOM 0 HZ PHE A 82 0.039 -4.208 0.869 1.00 4.54 H new ATOM 1325 N ASN A 83 -5.350 -3.222 4.181 1.00 43.10 N ATOM 1326 CA ASN A 83 -6.245 -2.830 3.063 1.00 42.14 C ATOM 1327 C ASN A 83 -5.465 -2.258 1.881 1.00 53.35 C ATOM 1328 O ASN A 83 -4.668 -1.334 2.020 1.00 70.12 O ATOM 1329 CB ASN A 83 -7.374 -1.893 3.502 1.00 70.30 C ATOM 1330 CG ASN A 83 -8.656 -2.654 3.799 1.00 21.03 C ATOM 1331 OD1 ASN A 83 -8.859 -3.144 4.909 1.00 71.42 O ATOM 1332 ND2 ASN A 83 -9.539 -2.732 2.812 1.00 3.12 N ATOM 0 H ASN A 83 -5.321 -4.231 4.330 1.00 43.10 H new ATOM 0 HA ASN A 83 -6.724 -3.749 2.725 1.00 42.14 H new ATOM 0 HB2 ASN A 83 -7.064 -1.342 4.390 1.00 70.30 H new ATOM 0 HB3 ASN A 83 -7.561 -1.158 2.720 1.00 70.30 H new ATOM 0 HD21 ASN A 83 -10.427 -3.213 2.959 1.00 3.12 H new ATOM 0 HD22 ASN A 83 -9.330 -2.311 1.907 1.00 3.12 H new ATOM 1339 N ALA A 84 -5.730 -2.819 0.704 1.00 75.22 N ATOM 1340 CA ALA A 84 -4.912 -2.593 -0.495 1.00 33.14 C ATOM 1341 C ALA A 84 -5.266 -1.285 -1.230 1.00 12.15 C ATOM 1342 O ALA A 84 -5.668 -1.301 -2.399 1.00 35.52 O ATOM 1343 CB ALA A 84 -5.032 -3.808 -1.417 1.00 5.04 C ATOM 0 H ALA A 84 -6.520 -3.446 0.550 1.00 75.22 H new ATOM 0 HA ALA A 84 -3.875 -2.474 -0.180 1.00 33.14 H new ATOM 0 HB1 ALA A 84 -4.428 -3.648 -2.310 1.00 5.04 H new ATOM 0 HB2 ALA A 84 -4.680 -4.697 -0.895 1.00 5.04 H new ATOM 0 HB3 ALA A 84 -6.074 -3.945 -1.704 1.00 5.04 H new ATOM 1349 N ARG A 85 -5.088 -0.161 -0.509 1.00 25.11 N ATOM 1350 CA ARG A 85 -5.371 1.208 -0.973 1.00 4.22 C ATOM 1351 C ARG A 85 -6.858 1.388 -1.350 1.00 52.55 C ATOM 1352 O ARG A 85 -7.180 2.147 -2.277 1.00 30.41 O ATOM 1353 CB ARG A 85 -4.463 1.613 -2.143 1.00 1.12 C ATOM 1354 CG ARG A 85 -3.753 2.947 -1.939 1.00 62.33 C ATOM 1355 CD ARG A 85 -4.724 4.090 -1.675 1.00 24.43 C ATOM 1356 NE ARG A 85 -4.186 5.378 -2.118 1.00 61.24 N ATOM 1357 CZ ARG A 85 -4.599 6.029 -3.225 1.00 53.03 C ATOM 1358 NH1 ARG A 85 -5.561 5.508 -4.011 1.00 22.31 N ATOM 1359 NH2 ARG A 85 -4.032 7.181 -3.570 1.00 42.15 N ATOM 0 H ARG A 85 -4.731 -0.184 0.446 1.00 25.11 H new ATOM 0 HA ARG A 85 -5.154 1.873 -0.137 1.00 4.22 H new ATOM 0 HB2 ARG A 85 -3.716 0.834 -2.297 1.00 1.12 H new ATOM 0 HB3 ARG A 85 -5.061 1.666 -3.053 1.00 1.12 H new ATOM 0 HG2 ARG A 85 -3.061 2.862 -1.101 1.00 62.33 H new ATOM 0 HG3 ARG A 85 -3.158 3.177 -2.823 1.00 62.33 H new ATOM 0 HD2 ARG A 85 -5.665 3.893 -2.190 1.00 24.43 H new ATOM 0 HD3 ARG A 85 -4.948 4.137 -0.609 1.00 24.43 H new ATOM 0 HE ARG A 85 -3.454 5.810 -1.555 1.00 61.24 H new ATOM 0 HH11 ARG A 85 -5.985 4.612 -3.772 1.00 22.31 H new ATOM 0 HH12 ARG A 85 -5.865 6.010 -4.845 1.00 22.31 H new ATOM 0 HH21 ARG A 85 -3.284 7.573 -2.998 1.00 42.15 H new ATOM 0 HH22 ARG A 85 -4.345 7.673 -4.407 1.00 42.15 H new ATOM 1373 N GLU A 86 -7.732 0.686 -0.597 1.00 63.41 N ATOM 1374 CA GLU A 86 -9.203 0.800 -0.716 1.00 20.03 C ATOM 1375 C GLU A 86 -9.699 0.536 -2.159 1.00 55.03 C ATOM 1376 O GLU A 86 -9.527 -0.604 -2.652 1.00 65.53 O ATOM 1377 CB GLU A 86 -9.653 2.194 -0.212 1.00 43.03 C ATOM 1378 CG GLU A 86 -9.471 2.428 1.279 1.00 41.31 C ATOM 1379 CD GLU A 86 -10.423 1.599 2.111 1.00 22.05 C ATOM 1380 OE1 GLU A 86 -10.086 0.436 2.415 1.00 11.54 O ATOM 1381 OE2 GLU A 86 -11.511 2.113 2.454 1.00 40.24 O ATOM 1382 OXT GLU A 86 -10.259 1.472 -2.792 1.00 37.30 O ATOM 0 H GLU A 86 -7.435 0.019 0.116 1.00 63.41 H new ATOM 0 HA GLU A 86 -9.656 0.028 -0.094 1.00 20.03 H new ATOM 0 HB2 GLU A 86 -9.096 2.957 -0.755 1.00 43.03 H new ATOM 0 HB3 GLU A 86 -10.706 2.331 -0.460 1.00 43.03 H new ATOM 0 HG2 GLU A 86 -8.445 2.189 1.559 1.00 41.31 H new ATOM 0 HG3 GLU A 86 -9.624 3.484 1.500 1.00 41.31 H new TER 1389 GLU A 86