USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 694 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 22 MET CE :methyl -142:sc= -6.2! (180deg=-11.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.9!) USER MOD Single : A 27 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.425 (180deg=-0.425) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.69 F(o=-3.9,f=-1.7) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.97 F(o=-4.6!,f=-2) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.368 F(o=-2.1,f=0.37) USER MOD Single : A 50 LYS NZ :NH3+ -96:sc= -0.0692 (180deg=-0.743) USER MOD Single : A 52 GLN :FLIP amide:sc= -11! C(o=-14!,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= -0.0681 (180deg=-0.184) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 82 ASN : amide:sc= -0.0894 K(o=-0.089,f=-1.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -179:sc= -2.56! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -0.528 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -0.567 18.771 3.806 1.00 0.00 N ATOM 2 CA GLY A 17 -0.943 17.582 2.991 1.00 0.00 C ATOM 3 C GLY A 17 0.160 16.528 3.085 1.00 0.00 C ATOM 4 O GLY A 17 1.258 16.803 3.529 1.00 0.00 O ATOM 0 HA2 GLY A 17 -1.887 17.168 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.094 17.874 1.952 1.00 0.00 H new ATOM 10 N GLU A 18 -0.121 15.326 2.668 1.00 0.00 N ATOM 11 CA GLU A 18 0.909 14.251 2.730 1.00 0.00 C ATOM 12 C GLU A 18 0.901 13.445 1.429 1.00 0.00 C ATOM 13 O GLU A 18 -0.080 13.426 0.713 1.00 0.00 O ATOM 14 CB GLU A 18 0.493 13.369 3.908 1.00 0.00 C ATOM 15 CG GLU A 18 0.577 14.174 5.207 1.00 0.00 C ATOM 16 CD GLU A 18 -0.817 14.680 5.585 1.00 0.00 C ATOM 17 OE1 GLU A 18 -1.502 15.179 4.709 1.00 0.00 O ATOM 18 OE2 GLU A 18 -1.174 14.560 6.745 1.00 0.00 O ATOM 0 H GLU A 18 -1.022 15.040 2.286 1.00 0.00 H new ATOM 0 HA GLU A 18 1.916 14.648 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.523 13.003 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.141 12.495 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.979 13.553 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.259 15.015 5.083 1.00 0.00 H new ATOM 25 N GLU A 19 1.983 12.781 1.117 1.00 0.00 N ATOM 26 CA GLU A 19 2.030 11.979 -0.136 1.00 0.00 C ATOM 27 C GLU A 19 0.707 11.234 -0.335 1.00 0.00 C ATOM 28 O GLU A 19 0.112 11.276 -1.394 1.00 0.00 O ATOM 29 CB GLU A 19 3.180 10.994 0.072 1.00 0.00 C ATOM 30 CG GLU A 19 4.495 11.648 -0.361 1.00 0.00 C ATOM 31 CD GLU A 19 5.281 12.087 0.876 1.00 0.00 C ATOM 32 OE1 GLU A 19 5.142 11.442 1.902 1.00 0.00 O ATOM 33 OE2 GLU A 19 6.008 13.061 0.777 1.00 0.00 O ATOM 0 H GLU A 19 2.835 12.761 1.677 1.00 0.00 H new ATOM 0 HA GLU A 19 2.179 12.597 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.236 10.699 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.005 10.086 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.086 10.946 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.292 12.508 -1.000 1.00 0.00 H new ATOM 40 N PHE A 20 0.240 10.553 0.675 1.00 0.00 N ATOM 41 CA PHE A 20 -1.044 9.807 0.543 1.00 0.00 C ATOM 42 C PHE A 20 -2.095 10.383 1.503 1.00 0.00 C ATOM 43 O PHE A 20 -1.822 11.294 2.259 1.00 0.00 O ATOM 44 CB PHE A 20 -0.688 8.367 0.901 1.00 0.00 C ATOM 45 CG PHE A 20 0.320 7.857 -0.101 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.691 8.062 0.112 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.115 7.191 -1.254 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.621 7.602 -0.825 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.815 6.733 -2.191 1.00 0.00 C ATOM 50 CZ PHE A 20 2.184 6.939 -1.978 1.00 0.00 C ATOM 0 H PHE A 20 0.692 10.481 1.587 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.476 9.879 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.277 8.318 1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.581 7.743 0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.028 8.575 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.170 7.031 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.677 7.758 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.478 6.220 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.902 6.586 -2.703 1.00 0.00 H new ATOM 60 N ARG A 21 -3.298 9.870 1.467 1.00 0.00 N ATOM 61 CA ARG A 21 -4.364 10.408 2.367 1.00 0.00 C ATOM 62 C ARG A 21 -4.384 9.661 3.705 1.00 0.00 C ATOM 63 O ARG A 21 -4.287 10.255 4.759 1.00 0.00 O ATOM 64 CB ARG A 21 -5.676 10.175 1.620 1.00 0.00 C ATOM 65 CG ARG A 21 -5.738 11.083 0.391 1.00 0.00 C ATOM 66 CD ARG A 21 -5.075 10.374 -0.789 1.00 0.00 C ATOM 67 NE ARG A 21 -5.416 11.203 -1.979 1.00 0.00 N ATOM 68 CZ ARG A 21 -4.641 12.192 -2.332 1.00 0.00 C ATOM 69 NH1 ARG A 21 -3.347 12.023 -2.378 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.157 13.350 -2.643 1.00 0.00 N ATOM 0 H ARG A 21 -3.588 9.106 0.857 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.197 11.460 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.752 9.131 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.521 10.379 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.774 11.322 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.232 12.027 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.996 10.305 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.448 9.356 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.257 10.997 -2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.942 11.118 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.741 12.796 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.168 13.483 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.549 14.122 -2.919 1.00 0.00 H new ATOM 84 N MET A 22 -4.523 8.364 3.672 1.00 0.00 N ATOM 85 CA MET A 22 -4.564 7.590 4.945 1.00 0.00 C ATOM 86 C MET A 22 -3.152 7.385 5.491 1.00 0.00 C ATOM 87 O MET A 22 -2.234 7.067 4.762 1.00 0.00 O ATOM 88 CB MET A 22 -5.190 6.246 4.577 1.00 0.00 C ATOM 89 CG MET A 22 -6.435 6.475 3.722 1.00 0.00 C ATOM 90 SD MET A 22 -7.316 4.910 3.519 1.00 0.00 S ATOM 91 CE MET A 22 -7.253 4.847 1.714 1.00 0.00 C ATOM 0 H MET A 22 -4.610 7.808 2.821 1.00 0.00 H new ATOM 0 HA MET A 22 -5.132 8.108 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.470 5.636 4.032 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.454 5.697 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.084 7.212 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.153 6.876 2.748 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.191 4.444 1.331 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.102 5.852 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.428 4.207 1.401 1.00 0.00 H new ATOM 101 N GLU A 23 -2.974 7.562 6.769 1.00 0.00 N ATOM 102 CA GLU A 23 -1.624 7.375 7.362 1.00 0.00 C ATOM 103 C GLU A 23 -1.002 6.069 6.862 1.00 0.00 C ATOM 104 O GLU A 23 0.099 6.061 6.361 1.00 0.00 O ATOM 105 CB GLU A 23 -1.853 7.322 8.870 1.00 0.00 C ATOM 106 CG GLU A 23 -0.524 7.055 9.578 1.00 0.00 C ATOM 107 CD GLU A 23 -0.774 6.260 10.861 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.620 6.675 11.636 1.00 0.00 O ATOM 109 OE2 GLU A 23 -0.114 5.251 11.047 1.00 0.00 O ATOM 0 H GLU A 23 -3.706 7.828 7.428 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.939 8.176 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.280 8.263 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.570 6.538 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.145 6.501 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.030 7.998 9.813 1.00 0.00 H new ATOM 116 N LYS A 24 -1.698 4.967 6.994 1.00 0.00 N ATOM 117 CA LYS A 24 -1.137 3.661 6.522 1.00 0.00 C ATOM 118 C LYS A 24 -0.310 3.858 5.246 1.00 0.00 C ATOM 119 O LYS A 24 0.841 3.470 5.175 1.00 0.00 O ATOM 120 CB LYS A 24 -2.351 2.762 6.253 1.00 0.00 C ATOM 121 CG LYS A 24 -3.460 3.556 5.553 1.00 0.00 C ATOM 122 CD LYS A 24 -4.750 3.456 6.368 1.00 0.00 C ATOM 123 CE LYS A 24 -5.915 3.116 5.437 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.207 1.680 5.697 1.00 0.00 N ATOM 0 H LYS A 24 -2.629 4.914 7.407 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.469 3.219 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.054 1.916 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.725 2.354 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.164 4.600 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.621 3.167 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.649 2.690 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.943 4.398 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.784 3.740 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.648 3.282 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.997 1.372 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.364 1.110 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.465 1.554 6.697 1.00 0.00 H new ATOM 138 N LEU A 25 -0.872 4.482 4.246 1.00 0.00 N ATOM 139 CA LEU A 25 -0.096 4.718 2.999 1.00 0.00 C ATOM 140 C LEU A 25 1.106 5.600 3.327 1.00 0.00 C ATOM 141 O LEU A 25 2.222 5.308 2.955 1.00 0.00 O ATOM 142 CB LEU A 25 -1.047 5.447 2.044 1.00 0.00 C ATOM 143 CG LEU A 25 -2.159 4.512 1.533 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.576 4.959 0.134 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.670 3.060 1.456 1.00 0.00 C ATOM 0 H LEU A 25 -1.829 4.836 4.240 1.00 0.00 H new ATOM 0 HA LEU A 25 0.271 3.793 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.494 6.300 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.484 5.841 1.198 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.998 4.563 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.363 4.303 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.946 5.984 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.717 4.910 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.476 2.423 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.822 2.997 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.363 2.726 2.447 1.00 0.00 H new ATOM 157 N ASN A 26 0.890 6.670 4.043 1.00 0.00 N ATOM 158 CA ASN A 26 2.034 7.549 4.410 1.00 0.00 C ATOM 159 C ASN A 26 3.101 6.694 5.095 1.00 0.00 C ATOM 160 O ASN A 26 4.124 6.399 4.519 1.00 0.00 O ATOM 161 CB ASN A 26 1.454 8.585 5.375 1.00 0.00 C ATOM 162 CG ASN A 26 0.962 9.799 4.585 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.673 10.323 3.750 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.233 10.272 4.815 1.00 0.00 N ATOM 0 H ASN A 26 -0.022 6.971 4.387 1.00 0.00 H new ATOM 0 HA ASN A 26 2.498 8.036 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.631 8.149 5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.212 8.890 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.570 11.081 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.829 9.832 5.516 1.00 0.00 H new ATOM 171 N GLN A 27 2.850 6.278 6.310 1.00 0.00 N ATOM 172 CA GLN A 27 3.828 5.414 7.034 1.00 0.00 C ATOM 173 C GLN A 27 4.486 4.439 6.053 1.00 0.00 C ATOM 174 O GLN A 27 5.662 4.154 6.145 1.00 0.00 O ATOM 175 CB GLN A 27 2.988 4.659 8.064 1.00 0.00 C ATOM 176 CG GLN A 27 2.953 5.455 9.368 1.00 0.00 C ATOM 177 CD GLN A 27 2.643 4.518 10.536 1.00 0.00 C ATOM 178 OE1 GLN A 27 1.956 3.530 10.374 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.127 4.790 11.718 1.00 0.00 N ATOM 0 H GLN A 27 2.004 6.502 6.834 1.00 0.00 H new ATOM 0 HA GLN A 27 4.630 5.985 7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.976 4.512 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.410 3.670 8.240 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.911 5.949 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.197 6.238 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.704 5.620 11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.928 4.172 12.505 1.00 0.00 H new ATOM 188 N LEU A 28 3.739 3.942 5.101 1.00 0.00 N ATOM 189 CA LEU A 28 4.333 3.006 4.099 1.00 0.00 C ATOM 190 C LEU A 28 5.388 3.754 3.285 1.00 0.00 C ATOM 191 O LEU A 28 6.572 3.628 3.514 1.00 0.00 O ATOM 192 CB LEU A 28 3.160 2.590 3.195 1.00 0.00 C ATOM 193 CG LEU A 28 2.951 1.070 3.230 1.00 0.00 C ATOM 194 CD1 LEU A 28 3.964 0.397 2.301 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.128 0.545 4.658 1.00 0.00 C ATOM 0 H LEU A 28 2.747 4.143 4.974 1.00 0.00 H new ATOM 0 HA LEU A 28 4.813 2.142 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.249 3.093 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.354 2.911 2.171 1.00 0.00 H new ATOM 0 HG LEU A 28 1.940 0.840 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.818 -0.683 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.822 0.761 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.975 0.633 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.977 -0.534 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.134 0.775 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.398 1.021 5.314 1.00 0.00 H new ATOM 207 N TRP A 29 4.950 4.544 2.350 1.00 0.00 N ATOM 208 CA TRP A 29 5.884 5.339 1.507 1.00 0.00 C ATOM 209 C TRP A 29 7.066 5.849 2.349 1.00 0.00 C ATOM 210 O TRP A 29 8.219 5.552 2.079 1.00 0.00 O ATOM 211 CB TRP A 29 4.993 6.485 1.031 1.00 0.00 C ATOM 212 CG TRP A 29 5.785 7.518 0.314 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.767 8.833 0.606 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.680 7.356 -0.818 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.608 9.497 -0.267 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.194 8.626 -1.167 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.095 6.241 -1.563 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.086 8.784 -2.225 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.991 6.395 -2.628 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.486 7.665 -2.957 1.00 0.00 C ATOM 0 H TRP A 29 3.963 4.676 2.129 1.00 0.00 H new ATOM 0 HA TRP A 29 6.336 4.780 0.688 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.216 6.096 0.372 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.489 6.937 1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.189 9.293 1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.775 10.503 -0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.721 5.259 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.465 9.764 -2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.302 5.532 -3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.178 7.778 -3.778 1.00 0.00 H new ATOM 231 N GLU A 30 6.786 6.612 3.368 1.00 0.00 N ATOM 232 CA GLU A 30 7.877 7.138 4.231 1.00 0.00 C ATOM 233 C GLU A 30 8.819 6.005 4.644 1.00 0.00 C ATOM 234 O GLU A 30 10.027 6.130 4.564 1.00 0.00 O ATOM 235 CB GLU A 30 7.171 7.719 5.456 1.00 0.00 C ATOM 236 CG GLU A 30 6.648 9.119 5.128 1.00 0.00 C ATOM 237 CD GLU A 30 6.082 9.760 6.396 1.00 0.00 C ATOM 238 OE1 GLU A 30 6.641 9.526 7.455 1.00 0.00 O ATOM 239 OE2 GLU A 30 5.099 10.475 6.287 1.00 0.00 O ATOM 0 H GLU A 30 5.845 6.894 3.640 1.00 0.00 H new ATOM 0 HA GLU A 30 8.483 7.884 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.346 7.072 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.861 7.765 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.452 9.734 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.876 9.060 4.361 1.00 0.00 H new ATOM 246 N LYS A 31 8.286 4.892 5.080 1.00 0.00 N ATOM 247 CA LYS A 31 9.176 3.768 5.480 1.00 0.00 C ATOM 248 C LYS A 31 10.077 3.412 4.305 1.00 0.00 C ATOM 249 O LYS A 31 11.281 3.336 4.430 1.00 0.00 O ATOM 250 CB LYS A 31 8.244 2.608 5.822 1.00 0.00 C ATOM 251 CG LYS A 31 8.999 1.592 6.681 1.00 0.00 C ATOM 252 CD LYS A 31 7.996 0.729 7.447 1.00 0.00 C ATOM 253 CE LYS A 31 7.582 -0.461 6.578 1.00 0.00 C ATOM 254 NZ LYS A 31 6.228 -0.105 6.065 1.00 0.00 N ATOM 0 H LYS A 31 7.286 4.717 5.175 1.00 0.00 H new ATOM 0 HA LYS A 31 9.816 4.015 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.368 2.975 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.884 2.134 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.629 0.964 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.659 2.108 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.439 0.377 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.120 1.320 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.286 -0.618 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.555 -1.384 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.874 -0.872 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.578 0.032 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.286 0.774 5.512 1.00 0.00 H new ATOM 268 N ALA A 32 9.497 3.218 3.155 1.00 0.00 N ATOM 269 CA ALA A 32 10.306 2.897 1.957 1.00 0.00 C ATOM 270 C ALA A 32 11.481 3.863 1.882 1.00 0.00 C ATOM 271 O ALA A 32 12.611 3.472 1.662 1.00 0.00 O ATOM 272 CB ALA A 32 9.355 3.110 0.787 1.00 0.00 C ATOM 0 H ALA A 32 8.491 3.269 2.996 1.00 0.00 H new ATOM 0 HA ALA A 32 10.713 1.886 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.873 2.894 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.498 2.444 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.012 4.145 0.781 1.00 0.00 H new ATOM 278 N GLN A 33 11.226 5.127 2.085 1.00 0.00 N ATOM 279 CA GLN A 33 12.340 6.113 2.054 1.00 0.00 C ATOM 280 C GLN A 33 13.363 5.725 3.124 1.00 0.00 C ATOM 281 O GLN A 33 14.558 5.771 2.910 1.00 0.00 O ATOM 282 CB GLN A 33 11.692 7.459 2.380 1.00 0.00 C ATOM 283 CG GLN A 33 10.708 7.830 1.269 1.00 0.00 C ATOM 284 CD GLN A 33 9.828 8.994 1.729 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.532 8.897 1.611 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 10.324 9.999 2.197 1.00 0.00 N flip ATOM 0 H GLN A 33 10.301 5.516 2.270 1.00 0.00 H new ATOM 0 HA GLN A 33 12.858 6.150 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.173 7.403 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.457 8.230 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.252 8.107 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.088 6.970 1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.337 10.073 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.727 10.769 2.499 1.00 0.00 H new ATOM 295 N ARG A 34 12.887 5.326 4.273 1.00 0.00 N ATOM 296 CA ARG A 34 13.807 4.911 5.370 1.00 0.00 C ATOM 297 C ARG A 34 14.531 3.610 4.996 1.00 0.00 C ATOM 298 O ARG A 34 15.568 3.289 5.542 1.00 0.00 O ATOM 299 CB ARG A 34 12.897 4.693 6.581 1.00 0.00 C ATOM 300 CG ARG A 34 13.705 4.860 7.868 1.00 0.00 C ATOM 301 CD ARG A 34 13.828 3.506 8.573 1.00 0.00 C ATOM 302 NE ARG A 34 12.516 3.303 9.249 1.00 0.00 N ATOM 303 CZ ARG A 34 12.294 3.836 10.422 1.00 0.00 C ATOM 304 NH1 ARG A 34 13.198 3.753 11.359 1.00 0.00 N ATOM 305 NH2 ARG A 34 11.164 4.449 10.655 1.00 0.00 N ATOM 0 H ARG A 34 11.894 5.270 4.500 1.00 0.00 H new ATOM 0 HA ARG A 34 14.580 5.654 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.073 5.406 6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.457 3.697 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.695 5.254 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.218 5.581 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.033 2.707 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.647 3.509 9.293 1.00 0.00 H new ATOM 0 HE ARG A 34 11.790 2.748 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.079 3.272 11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.024 4.169 12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.457 4.511 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.989 4.865 11.569 1.00 0.00 H new ATOM 319 N LEU A 35 13.998 2.861 4.062 1.00 0.00 N ATOM 320 CA LEU A 35 14.666 1.587 3.652 1.00 0.00 C ATOM 321 C LEU A 35 15.862 1.878 2.742 1.00 0.00 C ATOM 322 O LEU A 35 16.455 0.981 2.179 1.00 0.00 O ATOM 323 CB LEU A 35 13.598 0.786 2.893 1.00 0.00 C ATOM 324 CG LEU A 35 12.311 0.677 3.727 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.561 -0.599 3.343 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.644 0.628 5.224 1.00 0.00 C ATOM 0 H LEU A 35 13.132 3.076 3.567 1.00 0.00 H new ATOM 0 HA LEU A 35 15.047 1.037 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.381 1.270 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.976 -0.211 2.665 1.00 0.00 H new ATOM 0 HG LEU A 35 11.692 1.551 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.649 -0.677 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.306 -0.566 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.194 -1.465 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.722 0.551 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.273 -0.238 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.174 1.537 5.509 1.00 0.00 H new ATOM 338 N HIS A 36 16.221 3.127 2.598 1.00 0.00 N ATOM 339 CA HIS A 36 17.381 3.490 1.737 1.00 0.00 C ATOM 340 C HIS A 36 17.097 3.173 0.267 1.00 0.00 C ATOM 341 O HIS A 36 17.970 3.270 -0.571 1.00 0.00 O ATOM 342 CB HIS A 36 18.553 2.656 2.260 1.00 0.00 C ATOM 343 CG HIS A 36 18.647 2.805 3.754 1.00 0.00 C ATOM 344 ND1 HIS A 36 17.939 2.230 4.782 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.570 3.645 4.356 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.414 2.703 6.001 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.396 3.553 5.687 1.00 0.00 N flip ATOM 0 H HIS A 36 15.755 3.917 3.045 1.00 0.00 H new ATOM 0 HA HIS A 36 17.594 4.558 1.781 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.413 1.608 1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.482 2.981 1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 36 20.297 4.262 3.849 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.064 2.440 6.988 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.947 4.069 6.373 1.00 0.00 H new ATOM 355 N LEU A 37 15.885 2.815 -0.069 1.00 0.00 N ATOM 356 CA LEU A 37 15.588 2.528 -1.500 1.00 0.00 C ATOM 357 C LEU A 37 16.142 3.668 -2.359 1.00 0.00 C ATOM 358 O LEU A 37 16.186 4.799 -1.920 1.00 0.00 O ATOM 359 CB LEU A 37 14.059 2.526 -1.621 1.00 0.00 C ATOM 360 CG LEU A 37 13.444 1.294 -0.952 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.922 1.423 -0.999 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.847 0.029 -1.706 1.00 0.00 C ATOM 0 H LEU A 37 15.101 2.711 0.575 1.00 0.00 H new ATOM 0 HA LEU A 37 16.027 1.584 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.656 3.429 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.776 2.549 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 37 13.797 1.229 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.468 0.552 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.617 2.325 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.594 1.484 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.404 -0.841 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.493 0.090 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.933 -0.067 -1.701 1.00 0.00 H new ATOM 374 N PRO A 38 16.508 3.351 -3.567 1.00 0.00 N ATOM 375 CA PRO A 38 17.001 4.394 -4.493 1.00 0.00 C ATOM 376 C PRO A 38 15.801 5.239 -4.935 1.00 0.00 C ATOM 377 O PRO A 38 14.685 4.949 -4.556 1.00 0.00 O ATOM 378 CB PRO A 38 17.593 3.596 -5.654 1.00 0.00 C ATOM 379 CG PRO A 38 16.893 2.274 -5.613 1.00 0.00 C ATOM 380 CD PRO A 38 16.508 2.020 -4.177 1.00 0.00 C ATOM 0 HA PRO A 38 17.737 5.076 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.427 4.101 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.670 3.476 -5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.010 2.286 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.544 1.482 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.528 1.548 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.219 1.356 -3.685 1.00 0.00 H new ATOM 388 N PRO A 39 16.050 6.254 -5.713 1.00 0.00 N ATOM 389 CA PRO A 39 14.939 7.123 -6.177 1.00 0.00 C ATOM 390 C PRO A 39 14.015 6.346 -7.119 1.00 0.00 C ATOM 391 O PRO A 39 12.805 6.377 -6.987 1.00 0.00 O ATOM 392 CB PRO A 39 15.654 8.264 -6.895 1.00 0.00 C ATOM 393 CG PRO A 39 16.973 7.690 -7.302 1.00 0.00 C ATOM 394 CD PRO A 39 17.349 6.692 -6.237 1.00 0.00 C ATOM 0 HA PRO A 39 14.300 7.483 -5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.086 8.604 -7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.782 9.125 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.903 7.209 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.728 8.472 -7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.918 5.859 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.964 7.145 -5.460 1.00 0.00 H new ATOM 402 N VAL A 40 14.572 5.636 -8.058 1.00 0.00 N ATOM 403 CA VAL A 40 13.726 4.845 -8.995 1.00 0.00 C ATOM 404 C VAL A 40 12.814 3.912 -8.203 1.00 0.00 C ATOM 405 O VAL A 40 11.655 3.730 -8.519 1.00 0.00 O ATOM 406 CB VAL A 40 14.716 4.028 -9.820 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.329 2.929 -8.945 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.987 3.388 -11.005 1.00 0.00 C ATOM 0 H VAL A 40 15.577 5.569 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 40 13.091 5.476 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 40 15.507 4.682 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.036 2.346 -9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.848 3.383 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.539 2.275 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.694 2.804 -11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.196 2.735 -10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.552 4.169 -11.629 1.00 0.00 H new ATOM 418 N ARG A 41 13.347 3.313 -7.179 1.00 0.00 N ATOM 419 CA ARG A 41 12.555 2.375 -6.350 1.00 0.00 C ATOM 420 C ARG A 41 11.413 3.105 -5.658 1.00 0.00 C ATOM 421 O ARG A 41 10.317 2.601 -5.550 1.00 0.00 O ATOM 422 CB ARG A 41 13.560 1.871 -5.321 1.00 0.00 C ATOM 423 CG ARG A 41 13.978 0.445 -5.658 1.00 0.00 C ATOM 424 CD ARG A 41 12.961 -0.518 -5.092 1.00 0.00 C ATOM 425 NE ARG A 41 11.824 -0.399 -6.024 1.00 0.00 N ATOM 426 CZ ARG A 41 11.528 -1.384 -6.831 1.00 0.00 C ATOM 427 NH1 ARG A 41 11.512 -2.609 -6.382 1.00 0.00 N ATOM 428 NH2 ARG A 41 11.252 -1.144 -8.083 1.00 0.00 N ATOM 0 H ARG A 41 14.314 3.437 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 41 12.101 1.574 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.435 2.521 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.120 1.904 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.052 0.321 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.965 0.235 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.348 -1.537 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.677 -0.250 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 41 11.267 0.455 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.730 -2.796 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.281 -3.379 -7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.267 -0.186 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.021 -1.914 -8.711 1.00 0.00 H new ATOM 442 N LEU A 42 11.663 4.285 -5.180 1.00 0.00 N ATOM 443 CA LEU A 42 10.588 5.039 -4.492 1.00 0.00 C ATOM 444 C LEU A 42 9.635 5.627 -5.525 1.00 0.00 C ATOM 445 O LEU A 42 8.520 5.982 -5.221 1.00 0.00 O ATOM 446 CB LEU A 42 11.314 6.128 -3.721 1.00 0.00 C ATOM 447 CG LEU A 42 12.205 5.467 -2.682 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.543 6.202 -2.629 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.522 5.538 -1.316 1.00 0.00 C ATOM 0 H LEU A 42 12.564 4.760 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 42 9.985 4.418 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.910 6.739 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.598 6.793 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 42 12.375 4.424 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.187 5.732 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.023 6.155 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.375 7.244 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.157 5.065 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.357 6.581 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.565 5.019 -1.360 1.00 0.00 H new ATOM 461 N ALA A 43 10.059 5.712 -6.753 1.00 0.00 N ATOM 462 CA ALA A 43 9.153 6.251 -7.803 1.00 0.00 C ATOM 463 C ALA A 43 8.154 5.161 -8.192 1.00 0.00 C ATOM 464 O ALA A 43 6.954 5.378 -8.219 1.00 0.00 O ATOM 465 CB ALA A 43 10.062 6.608 -8.979 1.00 0.00 C ATOM 0 H ALA A 43 10.986 5.434 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 43 8.584 7.121 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.461 7.013 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.792 7.353 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.582 5.713 -9.322 1.00 0.00 H new ATOM 471 N GLU A 44 8.638 3.975 -8.463 1.00 0.00 N ATOM 472 CA GLU A 44 7.712 2.866 -8.818 1.00 0.00 C ATOM 473 C GLU A 44 6.887 2.507 -7.585 1.00 0.00 C ATOM 474 O GLU A 44 5.687 2.319 -7.654 1.00 0.00 O ATOM 475 CB GLU A 44 8.619 1.707 -9.229 1.00 0.00 C ATOM 476 CG GLU A 44 9.273 2.032 -10.571 1.00 0.00 C ATOM 477 CD GLU A 44 9.626 0.733 -11.296 1.00 0.00 C ATOM 478 OE1 GLU A 44 10.358 -0.060 -10.726 1.00 0.00 O ATOM 479 OE2 GLU A 44 9.159 0.552 -12.409 1.00 0.00 O ATOM 0 H GLU A 44 9.628 3.731 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 44 7.017 3.121 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.383 1.540 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.040 0.787 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.596 2.629 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.171 2.629 -10.414 1.00 0.00 H new ATOM 486 N LEU A 45 7.524 2.441 -6.449 1.00 0.00 N ATOM 487 CA LEU A 45 6.785 2.129 -5.200 1.00 0.00 C ATOM 488 C LEU A 45 5.698 3.178 -5.009 1.00 0.00 C ATOM 489 O LEU A 45 4.559 2.860 -4.759 1.00 0.00 O ATOM 490 CB LEU A 45 7.833 2.204 -4.082 1.00 0.00 C ATOM 491 CG LEU A 45 7.188 2.655 -2.764 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.308 1.533 -2.203 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.290 2.984 -1.766 1.00 0.00 C ATOM 0 H LEU A 45 8.526 2.590 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 45 6.303 1.151 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.301 1.228 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.623 2.900 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 45 6.569 3.535 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.854 1.860 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.525 1.291 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.919 0.649 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.844 3.306 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.901 2.098 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.914 3.784 -2.164 1.00 0.00 H new ATOM 505 N HIS A 46 6.044 4.432 -5.137 1.00 0.00 N ATOM 506 CA HIS A 46 5.017 5.491 -4.973 1.00 0.00 C ATOM 507 C HIS A 46 3.845 5.172 -5.891 1.00 0.00 C ATOM 508 O HIS A 46 2.729 5.034 -5.451 1.00 0.00 O ATOM 509 CB HIS A 46 5.693 6.797 -5.388 1.00 0.00 C ATOM 510 CG HIS A 46 4.875 7.960 -4.900 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.979 8.746 -3.779 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.783 8.445 -5.603 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 3.969 9.703 -3.783 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.277 9.478 -4.904 1.00 0.00 N flip ATOM 0 H HIS A 46 6.986 4.763 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 46 4.639 5.562 -3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.699 6.846 -4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.794 6.839 -6.473 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.689 8.644 -3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.407 8.063 -6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.784 10.464 -3.040 1.00 0.00 H new ATOM 522 N ALA A 47 4.096 5.029 -7.163 1.00 0.00 N ATOM 523 CA ALA A 47 2.985 4.695 -8.099 1.00 0.00 C ATOM 524 C ALA A 47 2.132 3.564 -7.509 1.00 0.00 C ATOM 525 O ALA A 47 0.915 3.602 -7.542 1.00 0.00 O ATOM 526 CB ALA A 47 3.675 4.233 -9.385 1.00 0.00 C ATOM 0 H ALA A 47 5.016 5.128 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 47 2.321 5.540 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.922 3.968 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.299 5.038 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.296 3.363 -9.172 1.00 0.00 H new ATOM 532 N ASP A 48 2.765 2.555 -6.973 1.00 0.00 N ATOM 533 CA ASP A 48 2.005 1.412 -6.385 1.00 0.00 C ATOM 534 C ASP A 48 1.191 1.860 -5.163 1.00 0.00 C ATOM 535 O ASP A 48 0.094 1.390 -4.935 1.00 0.00 O ATOM 536 CB ASP A 48 3.076 0.401 -5.971 1.00 0.00 C ATOM 537 CG ASP A 48 3.952 0.061 -7.179 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.411 -0.049 -8.266 1.00 0.00 O ATOM 539 OD2 ASP A 48 5.149 -0.084 -6.995 1.00 0.00 O ATOM 0 H ASP A 48 3.780 2.472 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 48 1.290 0.994 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.688 0.812 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.607 -0.503 -5.583 1.00 0.00 H new ATOM 544 N LEU A 49 1.710 2.769 -4.382 1.00 0.00 N ATOM 545 CA LEU A 49 0.960 3.242 -3.191 1.00 0.00 C ATOM 546 C LEU A 49 -0.227 4.069 -3.649 1.00 0.00 C ATOM 547 O LEU A 49 -1.265 4.086 -3.021 1.00 0.00 O ATOM 548 CB LEU A 49 1.952 4.106 -2.416 1.00 0.00 C ATOM 549 CG LEU A 49 3.098 3.237 -1.902 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.117 4.124 -1.185 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.548 2.191 -0.929 1.00 0.00 C ATOM 0 H LEU A 49 2.623 3.203 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 49 0.577 2.427 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.341 4.896 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.449 4.594 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 49 3.581 2.730 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.938 3.510 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.505 4.868 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.635 4.628 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.365 1.570 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.067 2.693 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.819 1.564 -1.443 1.00 0.00 H new ATOM 563 N LYS A 50 -0.090 4.744 -4.756 1.00 0.00 N ATOM 564 CA LYS A 50 -1.226 5.544 -5.261 1.00 0.00 C ATOM 565 C LYS A 50 -2.300 4.579 -5.741 1.00 0.00 C ATOM 566 O LYS A 50 -3.460 4.727 -5.439 1.00 0.00 O ATOM 567 CB LYS A 50 -0.684 6.381 -6.423 1.00 0.00 C ATOM 568 CG LYS A 50 0.544 7.195 -5.981 1.00 0.00 C ATOM 569 CD LYS A 50 0.260 7.952 -4.677 1.00 0.00 C ATOM 570 CE LYS A 50 -0.261 9.353 -4.995 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.739 9.204 -5.087 1.00 0.00 N ATOM 0 H LYS A 50 0.756 4.773 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.658 6.196 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.414 5.728 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.461 7.054 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.395 6.529 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.818 7.902 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.473 7.408 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.169 8.019 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.016 10.063 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.157 9.726 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.014 9.082 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.039 8.372 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.198 10.054 -4.703 1.00 0.00 H new ATOM 585 N ILE A 51 -1.914 3.567 -6.463 1.00 0.00 N ATOM 586 CA ILE A 51 -2.921 2.576 -6.923 1.00 0.00 C ATOM 587 C ILE A 51 -3.637 2.002 -5.696 1.00 0.00 C ATOM 588 O ILE A 51 -4.850 1.888 -5.664 1.00 0.00 O ATOM 589 CB ILE A 51 -2.122 1.490 -7.641 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.515 2.066 -8.923 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.049 0.325 -7.994 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.589 2.820 -9.708 1.00 0.00 C ATOM 0 H ILE A 51 -0.953 3.384 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.675 3.007 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.324 1.135 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.692 2.737 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.101 1.263 -9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.480 -0.451 -8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.481 -0.085 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.847 0.680 -8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.154 3.229 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.398 2.137 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.982 3.633 -9.098 1.00 0.00 H new ATOM 604 N GLN A 52 -2.892 1.657 -4.674 1.00 0.00 N ATOM 605 CA GLN A 52 -3.524 1.109 -3.444 1.00 0.00 C ATOM 606 C GLN A 52 -4.315 2.208 -2.738 1.00 0.00 C ATOM 607 O GLN A 52 -5.254 1.943 -2.017 1.00 0.00 O ATOM 608 CB GLN A 52 -2.357 0.639 -2.574 1.00 0.00 C ATOM 609 CG GLN A 52 -2.895 -0.051 -1.318 1.00 0.00 C ATOM 610 CD GLN A 52 -3.807 -1.209 -1.725 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.768 -1.579 -0.923 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.645 -1.783 -2.782 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.875 1.733 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.220 0.298 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.726 -0.049 -3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.733 1.488 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.069 -0.421 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.446 0.663 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.894 -1.494 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.260 -2.554 -3.043 1.00 0.00 H new ATOM 621 N GLU A 53 -3.949 3.443 -2.951 1.00 0.00 N ATOM 622 CA GLU A 53 -4.693 4.555 -2.303 1.00 0.00 C ATOM 623 C GLU A 53 -6.075 4.676 -2.951 1.00 0.00 C ATOM 624 O GLU A 53 -7.088 4.479 -2.313 1.00 0.00 O ATOM 625 CB GLU A 53 -3.845 5.802 -2.569 1.00 0.00 C ATOM 626 CG GLU A 53 -4.268 6.926 -1.624 1.00 0.00 C ATOM 627 CD GLU A 53 -3.942 8.277 -2.263 1.00 0.00 C ATOM 628 OE1 GLU A 53 -2.808 8.710 -2.142 1.00 0.00 O ATOM 629 OE2 GLU A 53 -4.832 8.856 -2.862 1.00 0.00 O ATOM 0 H GLU A 53 -3.169 3.727 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.850 4.405 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.789 5.572 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.965 6.121 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.336 6.858 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.750 6.828 -0.670 1.00 0.00 H new ATOM 636 N ARG A 54 -6.119 4.972 -4.220 1.00 0.00 N ATOM 637 CA ARG A 54 -7.429 5.081 -4.921 1.00 0.00 C ATOM 638 C ARG A 54 -8.235 3.804 -4.687 1.00 0.00 C ATOM 639 O ARG A 54 -9.438 3.835 -4.509 1.00 0.00 O ATOM 640 CB ARG A 54 -7.075 5.227 -6.401 1.00 0.00 C ATOM 641 CG ARG A 54 -8.341 5.559 -7.196 1.00 0.00 C ATOM 642 CD ARG A 54 -8.654 4.417 -8.164 1.00 0.00 C ATOM 643 NE ARG A 54 -7.731 4.621 -9.314 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.593 3.687 -10.215 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.571 3.424 -11.038 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.477 3.016 -10.294 1.00 0.00 N ATOM 0 H ARG A 54 -5.301 5.144 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.030 5.918 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.333 6.014 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.630 4.304 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.179 5.713 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.203 6.489 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.491 3.447 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.696 4.446 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.206 5.491 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.444 3.949 -10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.463 2.694 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.712 3.221 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.370 2.286 -10.998 1.00 0.00 H new ATOM 660 N ASP A 55 -7.573 2.678 -4.687 1.00 0.00 N ATOM 661 CA ASP A 55 -8.282 1.388 -4.467 1.00 0.00 C ATOM 662 C ASP A 55 -8.746 1.270 -3.012 1.00 0.00 C ATOM 663 O ASP A 55 -9.737 0.629 -2.716 1.00 0.00 O ATOM 664 CB ASP A 55 -7.231 0.319 -4.768 1.00 0.00 C ATOM 665 CG ASP A 55 -6.869 0.357 -6.254 1.00 0.00 C ATOM 666 OD1 ASP A 55 -6.854 1.442 -6.813 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.612 -0.699 -6.808 1.00 0.00 O ATOM 0 H ASP A 55 -6.566 2.598 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.170 1.295 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.341 0.489 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.614 -0.666 -4.502 1.00 0.00 H new ATOM 672 N GLU A 56 -8.030 1.869 -2.100 1.00 0.00 N ATOM 673 CA GLU A 56 -8.420 1.766 -0.665 1.00 0.00 C ATOM 674 C GLU A 56 -9.549 2.737 -0.321 1.00 0.00 C ATOM 675 O GLU A 56 -10.359 2.455 0.536 1.00 0.00 O ATOM 676 CB GLU A 56 -7.155 2.104 0.122 1.00 0.00 C ATOM 677 CG GLU A 56 -6.435 0.813 0.514 1.00 0.00 C ATOM 678 CD GLU A 56 -5.986 0.902 1.974 1.00 0.00 C ATOM 679 OE1 GLU A 56 -5.987 2.001 2.506 1.00 0.00 O ATOM 680 OE2 GLU A 56 -5.651 -0.128 2.534 1.00 0.00 O ATOM 0 H GLU A 56 -7.194 2.424 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.797 0.772 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.497 2.731 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.411 2.675 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.098 -0.041 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.573 0.654 -0.134 1.00 0.00 H new ATOM 687 N LEU A 57 -9.638 3.862 -0.979 1.00 0.00 N ATOM 688 CA LEU A 57 -10.756 4.795 -0.662 1.00 0.00 C ATOM 689 C LEU A 57 -11.982 4.316 -1.419 1.00 0.00 C ATOM 690 O LEU A 57 -13.067 4.228 -0.881 1.00 0.00 O ATOM 691 CB LEU A 57 -10.337 6.180 -1.156 1.00 0.00 C ATOM 692 CG LEU A 57 -8.871 6.445 -0.818 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.135 6.807 -2.103 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.775 7.608 0.170 1.00 0.00 C ATOM 0 H LEU A 57 -8.997 4.171 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.979 4.832 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.487 6.249 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.966 6.943 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.425 5.558 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.086 7.000 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.210 5.981 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.583 7.700 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.729 7.796 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.211 8.502 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.317 7.357 1.082 1.00 0.00 H new ATOM 706 N ALA A 58 -11.804 3.971 -2.664 1.00 0.00 N ATOM 707 CA ALA A 58 -12.950 3.459 -3.450 1.00 0.00 C ATOM 708 C ALA A 58 -13.490 2.218 -2.743 1.00 0.00 C ATOM 709 O ALA A 58 -14.678 2.089 -2.479 1.00 0.00 O ATOM 710 CB ALA A 58 -12.376 3.098 -4.820 1.00 0.00 C ATOM 0 H ALA A 58 -10.917 4.023 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.763 4.178 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.171 2.711 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.944 3.987 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.603 2.338 -4.702 1.00 0.00 H new ATOM 716 N TRP A 59 -12.619 1.310 -2.395 1.00 0.00 N ATOM 717 CA TRP A 59 -13.093 0.113 -1.675 1.00 0.00 C ATOM 718 C TRP A 59 -13.686 0.563 -0.342 1.00 0.00 C ATOM 719 O TRP A 59 -14.732 0.117 0.066 1.00 0.00 O ATOM 720 CB TRP A 59 -11.864 -0.761 -1.449 1.00 0.00 C ATOM 721 CG TRP A 59 -12.195 -1.743 -0.383 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.868 -2.897 -0.580 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.920 -1.657 1.041 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.032 -3.531 0.633 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.452 -2.811 1.665 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.260 -0.703 1.848 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.338 -3.013 3.038 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.147 -0.907 3.232 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.683 -2.061 3.824 1.00 0.00 C ATOM 0 H TRP A 59 -11.616 1.350 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.856 -0.437 -2.226 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.586 -1.275 -2.369 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.010 -0.151 -1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.220 -3.264 -1.533 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.519 -4.419 0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.841 0.185 1.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.753 -3.900 3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.645 -0.172 3.844 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.589 -2.214 4.889 1.00 0.00 H new ATOM 740 N LYS A 60 -13.035 1.461 0.336 1.00 0.00 N ATOM 741 CA LYS A 60 -13.600 1.932 1.623 1.00 0.00 C ATOM 742 C LYS A 60 -15.054 2.308 1.376 1.00 0.00 C ATOM 743 O LYS A 60 -15.917 2.069 2.195 1.00 0.00 O ATOM 744 CB LYS A 60 -12.765 3.143 2.023 1.00 0.00 C ATOM 745 CG LYS A 60 -11.754 2.714 3.085 1.00 0.00 C ATOM 746 CD LYS A 60 -10.506 3.585 2.983 1.00 0.00 C ATOM 747 CE LYS A 60 -10.648 4.780 3.924 1.00 0.00 C ATOM 748 NZ LYS A 60 -11.231 5.862 3.083 1.00 0.00 N ATOM 0 H LYS A 60 -12.149 1.884 0.059 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.573 1.185 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.249 3.550 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.408 3.933 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.194 2.805 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.490 1.665 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.621 3.005 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.371 3.929 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.296 4.543 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.683 5.076 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.203 6.761 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.681 5.954 2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.217 5.628 2.851 1.00 0.00 H new ATOM 762 N LYS A 61 -15.342 2.836 0.217 1.00 0.00 N ATOM 763 CA LYS A 61 -16.753 3.151 -0.103 1.00 0.00 C ATOM 764 C LYS A 61 -17.492 1.821 -0.123 1.00 0.00 C ATOM 765 O LYS A 61 -18.528 1.657 0.492 1.00 0.00 O ATOM 766 CB LYS A 61 -16.731 3.793 -1.492 1.00 0.00 C ATOM 767 CG LYS A 61 -17.455 5.140 -1.443 1.00 0.00 C ATOM 768 CD LYS A 61 -18.952 4.911 -1.222 1.00 0.00 C ATOM 769 CE LYS A 61 -19.751 5.851 -2.129 1.00 0.00 C ATOM 770 NZ LYS A 61 -21.011 6.123 -1.382 1.00 0.00 N ATOM 0 H LYS A 61 -14.665 3.059 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.238 3.822 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.702 3.933 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.212 3.135 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.048 5.754 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.294 5.685 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.208 3.874 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.208 5.091 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.202 6.772 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.956 5.389 -3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.614 6.762 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.515 5.229 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.785 6.569 -0.470 1.00 0.00 H new ATOM 784 N LEU A 62 -16.927 0.850 -0.794 1.00 0.00 N ATOM 785 CA LEU A 62 -17.561 -0.500 -0.818 1.00 0.00 C ATOM 786 C LEU A 62 -17.790 -0.965 0.627 1.00 0.00 C ATOM 787 O LEU A 62 -18.895 -0.964 1.121 1.00 0.00 O ATOM 788 CB LEU A 62 -16.537 -1.410 -1.503 1.00 0.00 C ATOM 789 CG LEU A 62 -16.923 -1.628 -2.958 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.919 -0.909 -3.860 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.906 -3.129 -3.260 1.00 0.00 C ATOM 0 H LEU A 62 -16.059 0.934 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.520 -0.508 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.545 -0.962 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.486 -2.368 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.921 -1.231 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.192 -1.063 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.928 0.158 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.920 -1.309 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.182 -3.294 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.906 -3.525 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.618 -3.639 -2.611 1.00 0.00 H new ATOM 803 N LYS A 63 -16.734 -1.354 1.298 1.00 0.00 N ATOM 804 CA LYS A 63 -16.832 -1.816 2.717 1.00 0.00 C ATOM 805 C LYS A 63 -17.911 -1.043 3.485 1.00 0.00 C ATOM 806 O LYS A 63 -18.886 -1.604 3.942 1.00 0.00 O ATOM 807 CB LYS A 63 -15.445 -1.514 3.299 1.00 0.00 C ATOM 808 CG LYS A 63 -15.479 -1.562 4.833 1.00 0.00 C ATOM 809 CD LYS A 63 -14.698 -2.778 5.333 1.00 0.00 C ATOM 810 CE LYS A 63 -14.547 -2.689 6.854 1.00 0.00 C ATOM 811 NZ LYS A 63 -13.506 -3.697 7.208 1.00 0.00 N ATOM 0 H LYS A 63 -15.789 -1.371 0.914 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.109 -2.868 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.722 -2.238 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.112 -0.530 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.049 -0.649 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.511 -1.613 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.218 -3.696 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.717 -2.815 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.245 -1.688 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.490 -2.905 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.352 -3.690 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.823 -4.642 6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.616 -3.462 6.723 1.00 0.00 H new ATOM 825 N LEU A 64 -17.727 0.235 3.654 1.00 0.00 N ATOM 826 CA LEU A 64 -18.725 1.044 4.414 1.00 0.00 C ATOM 827 C LEU A 64 -20.149 0.749 3.926 1.00 0.00 C ATOM 828 O LEU A 64 -21.065 0.607 4.712 1.00 0.00 O ATOM 829 CB LEU A 64 -18.345 2.500 4.140 1.00 0.00 C ATOM 830 CG LEU A 64 -17.129 2.879 4.991 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.272 3.899 4.240 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.603 3.489 6.312 1.00 0.00 C ATOM 0 H LEU A 64 -16.927 0.758 3.298 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.713 0.814 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.118 2.635 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.184 3.156 4.373 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.536 1.986 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.408 4.166 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.933 3.467 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.863 4.792 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.739 3.759 6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.197 4.380 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.212 2.763 6.851 1.00 0.00 H new ATOM 844 N ASP A 65 -20.347 0.660 2.638 1.00 0.00 N ATOM 845 CA ASP A 65 -21.715 0.378 2.111 1.00 0.00 C ATOM 846 C ASP A 65 -22.138 -1.061 2.443 1.00 0.00 C ATOM 847 O ASP A 65 -23.308 -1.353 2.596 1.00 0.00 O ATOM 848 CB ASP A 65 -21.603 0.569 0.599 1.00 0.00 C ATOM 849 CG ASP A 65 -21.608 2.063 0.271 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.475 2.758 0.775 1.00 0.00 O ATOM 851 OD2 ASP A 65 -20.744 2.488 -0.479 1.00 0.00 O ATOM 0 H ASP A 65 -19.622 0.770 1.929 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.466 1.033 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.686 0.108 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.433 0.073 0.097 1.00 0.00 H new ATOM 856 N GLY A 66 -21.199 -1.959 2.552 1.00 0.00 N ATOM 857 CA GLY A 66 -21.545 -3.373 2.872 1.00 0.00 C ATOM 858 C GLY A 66 -21.237 -4.263 1.665 1.00 0.00 C ATOM 859 O GLY A 66 -21.918 -5.236 1.412 1.00 0.00 O ATOM 0 H GLY A 66 -20.203 -1.774 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.977 -3.710 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.600 -3.450 3.133 1.00 0.00 H new ATOM 863 N LEU A 67 -20.216 -3.939 0.917 1.00 0.00 N ATOM 864 CA LEU A 67 -19.874 -4.772 -0.274 1.00 0.00 C ATOM 865 C LEU A 67 -18.841 -5.835 0.097 1.00 0.00 C ATOM 866 O LEU A 67 -19.009 -7.005 -0.188 1.00 0.00 O ATOM 867 CB LEU A 67 -19.287 -3.789 -1.293 1.00 0.00 C ATOM 868 CG LEU A 67 -20.155 -2.517 -1.377 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.074 -1.939 -2.791 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.623 -2.839 -1.065 1.00 0.00 C ATOM 0 H LEU A 67 -19.606 -3.137 1.078 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.743 -5.299 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.269 -3.524 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.229 -4.263 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.782 -1.798 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.687 -1.040 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.039 -1.689 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.438 -2.676 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.217 -1.927 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.997 -3.568 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.699 -3.251 -0.059 1.00 0.00 H new ATOM 882 N ASP A 68 -17.773 -5.441 0.727 1.00 0.00 N ATOM 883 CA ASP A 68 -16.730 -6.432 1.110 1.00 0.00 C ATOM 884 C ASP A 68 -17.095 -7.101 2.439 1.00 0.00 C ATOM 885 O ASP A 68 -16.264 -7.281 3.306 1.00 0.00 O ATOM 886 CB ASP A 68 -15.447 -5.613 1.247 1.00 0.00 C ATOM 887 CG ASP A 68 -14.335 -6.491 1.826 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.110 -7.563 1.287 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.729 -6.077 2.801 1.00 0.00 O ATOM 0 H ASP A 68 -17.576 -4.476 0.994 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.626 -7.232 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.147 -5.224 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.620 -4.754 1.895 1.00 0.00 H new ATOM 894 N GLU A 69 -18.335 -7.477 2.604 1.00 0.00 N ATOM 895 CA GLU A 69 -18.751 -8.139 3.874 1.00 0.00 C ATOM 896 C GLU A 69 -18.113 -9.526 3.979 1.00 0.00 C ATOM 897 O GLU A 69 -18.231 -10.199 4.985 1.00 0.00 O ATOM 898 CB GLU A 69 -20.272 -8.259 3.784 1.00 0.00 C ATOM 899 CG GLU A 69 -20.901 -6.865 3.814 1.00 0.00 C ATOM 900 CD GLU A 69 -21.569 -6.637 5.171 1.00 0.00 C ATOM 901 OE1 GLU A 69 -20.852 -6.513 6.151 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.788 -6.588 5.208 1.00 0.00 O ATOM 0 H GLU A 69 -19.077 -7.354 1.915 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.439 -7.574 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.552 -8.775 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.649 -8.857 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.138 -6.106 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.635 -6.768 3.014 1.00 0.00 H new ATOM 909 N ASP A 70 -17.438 -9.959 2.950 1.00 0.00 N ATOM 910 CA ASP A 70 -16.794 -11.303 2.996 1.00 0.00 C ATOM 911 C ASP A 70 -15.272 -11.152 2.955 1.00 0.00 C ATOM 912 O ASP A 70 -14.543 -11.948 3.513 1.00 0.00 O ATOM 913 CB ASP A 70 -17.298 -12.030 1.749 1.00 0.00 C ATOM 914 CG ASP A 70 -17.612 -13.487 2.098 1.00 0.00 C ATOM 915 OD1 ASP A 70 -17.725 -13.782 3.276 1.00 0.00 O ATOM 916 OD2 ASP A 70 -17.734 -14.283 1.181 1.00 0.00 O ATOM 0 H ASP A 70 -17.304 -9.442 2.081 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.037 -11.850 3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.191 -11.537 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.545 -11.988 0.962 1.00 0.00 H new ATOM 921 N GLY A 71 -14.789 -10.131 2.303 1.00 0.00 N ATOM 922 CA GLY A 71 -13.316 -9.924 2.230 1.00 0.00 C ATOM 923 C GLY A 71 -12.834 -10.139 0.795 1.00 0.00 C ATOM 924 O GLY A 71 -11.652 -10.121 0.524 1.00 0.00 O ATOM 0 H GLY A 71 -15.351 -9.431 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.064 -8.916 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.808 -10.616 2.902 1.00 0.00 H new ATOM 928 N GLU A 72 -13.735 -10.343 -0.128 1.00 0.00 N ATOM 929 CA GLU A 72 -13.307 -10.559 -1.541 1.00 0.00 C ATOM 930 C GLU A 72 -12.776 -9.253 -2.134 1.00 0.00 C ATOM 931 O GLU A 72 -11.763 -9.233 -2.802 1.00 0.00 O ATOM 932 CB GLU A 72 -14.565 -11.030 -2.278 1.00 0.00 C ATOM 933 CG GLU A 72 -15.502 -9.844 -2.512 1.00 0.00 C ATOM 934 CD GLU A 72 -16.827 -10.348 -3.089 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.816 -10.828 -4.211 1.00 0.00 O ATOM 936 OE2 GLU A 72 -17.828 -10.246 -2.400 1.00 0.00 O ATOM 0 H GLU A 72 -14.742 -10.369 0.033 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.503 -11.290 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.291 -11.483 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.074 -11.798 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.678 -9.316 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.042 -9.132 -3.197 1.00 0.00 H new ATOM 943 N LYS A 73 -13.438 -8.160 -1.879 1.00 0.00 N ATOM 944 CA LYS A 73 -12.949 -6.861 -2.412 1.00 0.00 C ATOM 945 C LYS A 73 -11.731 -6.424 -1.601 1.00 0.00 C ATOM 946 O LYS A 73 -10.658 -6.217 -2.131 1.00 0.00 O ATOM 947 CB LYS A 73 -14.110 -5.890 -2.209 1.00 0.00 C ATOM 948 CG LYS A 73 -13.977 -4.715 -3.175 1.00 0.00 C ATOM 949 CD LYS A 73 -14.546 -5.106 -4.540 1.00 0.00 C ATOM 950 CE LYS A 73 -14.176 -4.039 -5.573 1.00 0.00 C ATOM 951 NZ LYS A 73 -14.687 -4.567 -6.867 1.00 0.00 N ATOM 0 H LYS A 73 -14.294 -8.111 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.650 -6.910 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.058 -6.403 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.118 -5.528 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.508 -3.847 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.930 -4.430 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.152 -6.075 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.630 -5.207 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.632 -3.079 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.098 -3.880 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.472 -3.891 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.231 -5.478 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.716 -4.702 -6.805 1.00 0.00 H new ATOM 965 N GLU A 74 -11.890 -6.301 -0.314 1.00 0.00 N ATOM 966 CA GLU A 74 -10.741 -5.896 0.540 1.00 0.00 C ATOM 967 C GLU A 74 -9.583 -6.878 0.350 1.00 0.00 C ATOM 968 O GLU A 74 -8.439 -6.546 0.579 1.00 0.00 O ATOM 969 CB GLU A 74 -11.267 -5.955 1.975 1.00 0.00 C ATOM 970 CG GLU A 74 -10.094 -5.835 2.952 1.00 0.00 C ATOM 971 CD GLU A 74 -10.629 -5.576 4.362 1.00 0.00 C ATOM 972 OE1 GLU A 74 -11.002 -6.535 5.018 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.656 -4.424 4.762 1.00 0.00 O ATOM 0 H GLU A 74 -12.766 -6.463 0.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.366 -4.903 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.981 -5.149 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.798 -6.892 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.501 -6.749 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.434 -5.023 2.647 1.00 0.00 H new ATOM 980 N ALA A 75 -9.864 -8.084 -0.074 1.00 0.00 N ATOM 981 CA ALA A 75 -8.759 -9.064 -0.279 1.00 0.00 C ATOM 982 C ALA A 75 -7.807 -8.546 -1.357 1.00 0.00 C ATOM 983 O ALA A 75 -6.603 -8.667 -1.245 1.00 0.00 O ATOM 984 CB ALA A 75 -9.441 -10.354 -0.735 1.00 0.00 C ATOM 0 H ALA A 75 -10.801 -8.428 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.170 -9.223 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.688 -11.123 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.135 -10.691 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.987 -10.169 -1.660 1.00 0.00 H new ATOM 990 N ARG A 76 -8.335 -7.955 -2.396 1.00 0.00 N ATOM 991 CA ARG A 76 -7.452 -7.421 -3.469 1.00 0.00 C ATOM 992 C ARG A 76 -6.532 -6.349 -2.886 1.00 0.00 C ATOM 993 O ARG A 76 -5.356 -6.290 -3.187 1.00 0.00 O ATOM 994 CB ARG A 76 -8.400 -6.812 -4.502 1.00 0.00 C ATOM 995 CG ARG A 76 -7.588 -6.293 -5.689 1.00 0.00 C ATOM 996 CD ARG A 76 -8.200 -4.986 -6.197 1.00 0.00 C ATOM 997 NE ARG A 76 -8.071 -5.050 -7.680 1.00 0.00 N ATOM 998 CZ ARG A 76 -6.915 -4.828 -8.246 1.00 0.00 C ATOM 999 NH1 ARG A 76 -5.997 -5.756 -8.239 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -6.677 -3.680 -8.818 1.00 0.00 N ATOM 0 H ARG A 76 -9.335 -7.820 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.818 -8.190 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.119 -7.559 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.971 -5.999 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.552 -6.130 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.576 -7.035 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.243 -4.895 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.675 -4.121 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.886 -5.267 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.183 -6.654 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.094 -5.583 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.394 -2.955 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.774 -3.508 -9.260 1.00 0.00 H new ATOM 1014 N LEU A 77 -7.060 -5.503 -2.043 1.00 0.00 N ATOM 1015 CA LEU A 77 -6.216 -4.438 -1.433 1.00 0.00 C ATOM 1016 C LEU A 77 -5.106 -5.072 -0.598 1.00 0.00 C ATOM 1017 O LEU A 77 -3.946 -4.757 -0.750 1.00 0.00 O ATOM 1018 CB LEU A 77 -7.163 -3.632 -0.540 1.00 0.00 C ATOM 1019 CG LEU A 77 -8.103 -2.803 -1.412 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.306 -2.342 -0.583 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.363 -1.580 -1.954 1.00 0.00 C ATOM 0 H LEU A 77 -8.037 -5.504 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.738 -3.809 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.738 -4.303 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.591 -2.979 0.119 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.448 -3.416 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.974 -1.751 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.841 -3.212 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.960 -1.734 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.038 -0.992 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.011 -0.970 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.511 -1.905 -2.551 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.456 -5.967 0.282 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.423 -6.629 1.125 1.00 0.00 C ATOM 1035 C ILE A 78 -3.343 -7.250 0.235 1.00 0.00 C ATOM 1036 O ILE A 78 -2.163 -7.173 0.522 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.181 -7.711 1.894 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.165 -7.049 2.861 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.191 -8.568 2.685 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.942 -8.128 3.616 1.00 0.00 C ATOM 0 H ILE A 78 -6.415 -6.269 0.454 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.919 -5.933 1.796 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.725 -8.342 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.628 -6.413 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.854 -6.406 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.733 -9.339 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.487 -9.038 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.646 -7.939 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.643 -7.657 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.491 -8.745 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.246 -8.752 4.177 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.738 -7.862 -0.850 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.737 -8.484 -1.763 1.00 0.00 C ATOM 1054 C ARG A 79 -1.886 -7.398 -2.423 1.00 0.00 C ATOM 1055 O ARG A 79 -0.711 -7.582 -2.655 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.565 -9.234 -2.807 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.636 -9.849 -3.855 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.041 -11.147 -3.306 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.750 -12.234 -4.037 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.373 -13.169 -3.372 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -2.726 -13.884 -2.492 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -4.641 -13.387 -3.583 1.00 0.00 N ATOM 0 H ARG A 79 -4.710 -7.958 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.051 -9.149 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.154 -10.015 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.269 -8.553 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.187 -10.049 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.840 -9.149 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.966 -11.192 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.196 -11.228 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.749 -12.248 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.735 -13.712 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.212 -14.615 -1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.148 -12.827 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.126 -14.118 -3.063 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.460 -6.260 -2.712 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.654 -5.168 -3.331 1.00 0.00 C ATOM 1078 C ASN A 80 -0.587 -4.728 -2.330 1.00 0.00 C ATOM 1079 O ASN A 80 0.579 -4.601 -2.651 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.647 -4.037 -3.598 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.230 -4.192 -5.001 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.637 -5.269 -5.388 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.287 -3.152 -5.789 1.00 0.00 N ATOM 0 H ASN A 80 -3.443 -6.041 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.150 -5.471 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.446 -4.057 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.149 -3.072 -3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.673 -3.245 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.945 -2.247 -5.465 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.977 -4.525 -1.104 1.00 0.00 N ATOM 1091 CA LEU A 81 0.014 -4.135 -0.075 1.00 0.00 C ATOM 1092 C LEU A 81 1.108 -5.199 -0.045 1.00 0.00 C ATOM 1093 O LEU A 81 2.246 -4.938 -0.348 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.766 -4.119 1.241 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.336 -2.917 2.082 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.188 -2.891 2.191 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.823 -1.630 1.413 1.00 0.00 C ATOM 0 H LEU A 81 -1.938 -4.613 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 81 0.484 -3.170 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.836 -4.070 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.587 -5.043 1.792 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.769 -2.995 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.495 -2.034 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.535 -3.809 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.623 -2.811 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.518 -0.771 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.389 -1.551 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.910 -1.649 1.335 1.00 0.00 H new ATOM 1109 N ASN A 82 0.750 -6.406 0.296 1.00 0.00 N ATOM 1110 CA ASN A 82 1.742 -7.517 0.331 1.00 0.00 C ATOM 1111 C ASN A 82 2.639 -7.477 -0.912 1.00 0.00 C ATOM 1112 O ASN A 82 3.829 -7.726 -0.844 1.00 0.00 O ATOM 1113 CB ASN A 82 0.873 -8.779 0.334 1.00 0.00 C ATOM 1114 CG ASN A 82 0.525 -9.156 1.775 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.331 -8.995 2.670 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.652 -9.653 2.039 1.00 0.00 N ATOM 0 H ASN A 82 -0.200 -6.673 0.555 1.00 0.00 H new ATOM 0 HA ASN A 82 2.411 -7.464 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.039 -8.607 -0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.403 -9.599 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.896 -9.906 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.329 -9.788 1.288 1.00 0.00 H new ATOM 1123 N VAL A 83 2.077 -7.159 -2.045 1.00 0.00 N ATOM 1124 CA VAL A 83 2.884 -7.098 -3.296 1.00 0.00 C ATOM 1125 C VAL A 83 3.953 -6.014 -3.164 1.00 0.00 C ATOM 1126 O VAL A 83 5.110 -6.218 -3.482 1.00 0.00 O ATOM 1127 CB VAL A 83 1.866 -6.757 -4.387 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.579 -6.225 -5.632 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.078 -8.017 -4.752 1.00 0.00 C ATOM 0 H VAL A 83 1.088 -6.938 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 83 3.412 -8.025 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 83 1.189 -5.989 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.842 -5.987 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.139 -5.326 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.265 -6.983 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.351 -7.779 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.763 -8.782 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.557 -8.389 -3.870 1.00 0.00 H new ATOM 1139 N ILE A 84 3.581 -4.866 -2.672 1.00 0.00 N ATOM 1140 CA ILE A 84 4.582 -3.780 -2.493 1.00 0.00 C ATOM 1141 C ILE A 84 5.604 -4.238 -1.455 1.00 0.00 C ATOM 1142 O ILE A 84 6.790 -4.189 -1.675 1.00 0.00 O ATOM 1143 CB ILE A 84 3.767 -2.580 -2.005 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.821 -2.147 -3.124 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.692 -1.412 -1.650 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.605 -1.456 -2.517 1.00 0.00 C ATOM 0 H ILE A 84 2.630 -4.634 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 84 5.134 -3.527 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 84 3.205 -2.864 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.334 -1.471 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.508 -3.013 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.096 -0.567 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.378 -1.718 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.261 -1.118 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.928 -1.146 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.089 -2.147 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.928 -0.581 -1.953 1.00 0.00 H new ATOM 1158 N LEU A 85 5.145 -4.729 -0.340 1.00 0.00 N ATOM 1159 CA LEU A 85 6.083 -5.237 0.695 1.00 0.00 C ATOM 1160 C LEU A 85 6.979 -6.287 0.056 1.00 0.00 C ATOM 1161 O LEU A 85 8.084 -6.532 0.492 1.00 0.00 O ATOM 1162 CB LEU A 85 5.188 -5.882 1.749 1.00 0.00 C ATOM 1163 CG LEU A 85 4.623 -4.811 2.677 1.00 0.00 C ATOM 1164 CD1 LEU A 85 5.725 -4.304 3.608 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.077 -3.647 1.847 1.00 0.00 C ATOM 0 H LEU A 85 4.156 -4.800 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 85 6.716 -4.460 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.374 -6.423 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.758 -6.611 2.325 1.00 0.00 H new ATOM 0 HG LEU A 85 3.817 -5.240 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.319 -3.539 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.108 -5.133 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.535 -3.878 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.674 -2.883 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.881 -3.219 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.287 -4.009 1.189 1.00 0.00 H new ATOM 1177 N ALA A 86 6.494 -6.913 -0.979 1.00 0.00 N ATOM 1178 CA ALA A 86 7.308 -7.956 -1.668 1.00 0.00 C ATOM 1179 C ALA A 86 8.317 -7.295 -2.619 1.00 0.00 C ATOM 1180 O ALA A 86 9.397 -7.803 -2.843 1.00 0.00 O ATOM 1181 CB ALA A 86 6.298 -8.794 -2.452 1.00 0.00 C ATOM 0 H ALA A 86 5.570 -6.749 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 86 7.882 -8.563 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.821 -9.586 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.579 -9.236 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.773 -8.158 -3.165 1.00 0.00 H new ATOM 1187 N LYS A 87 7.970 -6.166 -3.179 1.00 0.00 N ATOM 1188 CA LYS A 87 8.903 -5.468 -4.119 1.00 0.00 C ATOM 1189 C LYS A 87 9.846 -4.539 -3.356 1.00 0.00 C ATOM 1190 O LYS A 87 10.826 -4.055 -3.887 1.00 0.00 O ATOM 1191 CB LYS A 87 8.002 -4.623 -5.012 1.00 0.00 C ATOM 1192 CG LYS A 87 8.845 -3.991 -6.119 1.00 0.00 C ATOM 1193 CD LYS A 87 7.946 -3.184 -7.055 1.00 0.00 C ATOM 1194 CE LYS A 87 8.127 -3.684 -8.489 1.00 0.00 C ATOM 1195 NZ LYS A 87 6.854 -3.338 -9.180 1.00 0.00 N ATOM 0 H LYS A 87 7.079 -5.694 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 87 9.514 -6.180 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.215 -5.241 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.511 -3.847 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.607 -3.344 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.367 -4.767 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.904 -3.284 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.196 -2.125 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.980 -3.205 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.310 -4.758 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.901 -3.650 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.061 -3.814 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.710 -2.309 -9.148 1.00 0.00 H new ATOM 1209 N TYR A 88 9.541 -4.266 -2.126 1.00 0.00 N ATOM 1210 CA TYR A 88 10.393 -3.348 -1.331 1.00 0.00 C ATOM 1211 C TYR A 88 10.696 -3.964 0.032 1.00 0.00 C ATOM 1212 O TYR A 88 11.351 -3.363 0.861 1.00 0.00 O ATOM 1213 CB TYR A 88 9.538 -2.091 -1.153 1.00 0.00 C ATOM 1214 CG TYR A 88 8.955 -1.664 -2.476 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.788 -1.136 -3.462 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.580 -1.792 -2.714 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.253 -0.735 -4.688 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.042 -1.393 -3.944 1.00 0.00 C ATOM 1219 CZ TYR A 88 7.879 -0.860 -4.931 1.00 0.00 C ATOM 1220 OH TYR A 88 7.352 -0.462 -6.142 1.00 0.00 O ATOM 0 H TYR A 88 8.732 -4.642 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 88 11.348 -3.142 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.736 -2.286 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.145 -1.286 -0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.847 -1.037 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.935 -2.198 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.900 -0.328 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.983 -1.496 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 88 6.382 -0.603 -6.139 1.00 0.00 H new ATOM 1230 N GLY A 89 10.208 -5.148 0.278 1.00 0.00 N ATOM 1231 CA GLY A 89 10.453 -5.783 1.603 1.00 0.00 C ATOM 1232 C GLY A 89 10.209 -4.733 2.686 1.00 0.00 C ATOM 1233 O GLY A 89 10.976 -4.591 3.619 1.00 0.00 O ATOM 0 H GLY A 89 9.654 -5.700 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.790 -6.636 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.474 -6.160 1.661 1.00 0.00 H new ATOM 1237 N LEU A 90 9.150 -3.978 2.550 1.00 0.00 N ATOM 1238 CA LEU A 90 8.851 -2.913 3.547 1.00 0.00 C ATOM 1239 C LEU A 90 8.441 -3.534 4.886 1.00 0.00 C ATOM 1240 O LEU A 90 8.268 -2.844 5.872 1.00 0.00 O ATOM 1241 CB LEU A 90 7.692 -2.122 2.936 1.00 0.00 C ATOM 1242 CG LEU A 90 8.240 -1.010 2.035 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.224 -0.696 0.933 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.483 0.245 2.874 1.00 0.00 C ATOM 0 H LEU A 90 8.478 -4.055 1.787 1.00 0.00 H new ATOM 0 HA LEU A 90 9.715 -2.280 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.050 -2.787 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.077 -1.692 3.726 1.00 0.00 H new ATOM 0 HG LEU A 90 9.176 -1.336 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.615 0.095 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.046 -1.591 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.287 -0.368 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.873 1.039 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.545 0.569 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.205 0.023 3.660 1.00 0.00 H new ATOM 1256 N ASP A 91 8.287 -4.828 4.932 1.00 0.00 N ATOM 1257 CA ASP A 91 7.893 -5.484 6.211 1.00 0.00 C ATOM 1258 C ASP A 91 9.000 -5.303 7.252 1.00 0.00 C ATOM 1259 O ASP A 91 8.740 -5.054 8.413 1.00 0.00 O ATOM 1260 CB ASP A 91 7.715 -6.962 5.863 1.00 0.00 C ATOM 1261 CG ASP A 91 9.085 -7.607 5.646 1.00 0.00 C ATOM 1262 OD1 ASP A 91 9.696 -7.327 4.627 1.00 0.00 O ATOM 1263 OD2 ASP A 91 9.501 -8.372 6.501 1.00 0.00 O ATOM 0 H ASP A 91 8.417 -5.459 4.141 1.00 0.00 H new ATOM 0 HA ASP A 91 6.983 -5.058 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.184 -7.474 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.107 -7.064 4.964 1.00 0.00 H new ATOM 1268 N GLY A 92 10.233 -5.422 6.844 1.00 0.00 N ATOM 1269 CA GLY A 92 11.358 -5.255 7.808 1.00 0.00 C ATOM 1270 C GLY A 92 12.576 -6.035 7.313 1.00 0.00 C ATOM 1271 O GLY A 92 12.904 -6.017 6.143 1.00 0.00 O ATOM 0 H GLY A 92 10.511 -5.628 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.607 -4.199 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.061 -5.611 8.794 1.00 0.00 H new ATOM 1275 N LYS A 93 13.250 -6.721 8.195 1.00 0.00 N ATOM 1276 CA LYS A 93 14.448 -7.502 7.776 1.00 0.00 C ATOM 1277 C LYS A 93 14.020 -8.751 7.000 1.00 0.00 C ATOM 1278 O LYS A 93 13.188 -9.516 7.445 1.00 0.00 O ATOM 1279 CB LYS A 93 15.138 -7.893 9.082 1.00 0.00 C ATOM 1280 CG LYS A 93 16.360 -8.762 8.775 1.00 0.00 C ATOM 1281 CD LYS A 93 16.106 -10.191 9.260 1.00 0.00 C ATOM 1282 CE LYS A 93 16.877 -10.434 10.559 1.00 0.00 C ATOM 1283 NZ LYS A 93 15.945 -10.011 11.640 1.00 0.00 N ATOM 0 H LYS A 93 13.023 -6.774 9.188 1.00 0.00 H new ATOM 0 HA LYS A 93 15.106 -6.932 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.442 -6.999 9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.444 -8.436 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.560 -8.761 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.243 -8.352 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.040 -10.347 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.420 -10.906 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.154 -11.483 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.801 -9.856 10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.401 -10.147 12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.704 -9.007 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.078 -10.583 11.594 1.00 0.00 H new ATOM 1297 N LYS A 94 14.582 -8.962 5.841 1.00 0.00 N ATOM 1298 CA LYS A 94 14.207 -10.160 5.038 1.00 0.00 C ATOM 1299 C LYS A 94 15.423 -10.676 4.263 1.00 0.00 C ATOM 1300 O LYS A 94 15.442 -10.677 3.048 1.00 0.00 O ATOM 1301 CB LYS A 94 13.126 -9.668 4.075 1.00 0.00 C ATOM 1302 CG LYS A 94 11.747 -10.037 4.624 1.00 0.00 C ATOM 1303 CD LYS A 94 11.226 -11.284 3.906 1.00 0.00 C ATOM 1304 CE LYS A 94 10.802 -12.328 4.942 1.00 0.00 C ATOM 1305 NZ LYS A 94 12.067 -12.743 5.611 1.00 0.00 N ATOM 0 H LYS A 94 15.284 -8.357 5.416 1.00 0.00 H new ATOM 0 HA LYS A 94 13.854 -10.982 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.201 -8.588 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.269 -10.115 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.809 -10.222 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.054 -9.207 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.381 -11.024 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.000 -11.693 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.096 -11.909 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.309 -13.177 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.998 -13.741 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.863 -12.626 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.225 -12.152 6.452 1.00 0.00 H new ATOM 1319 N ASP A 95 16.439 -11.112 4.956 1.00 0.00 N ATOM 1320 CA ASP A 95 17.652 -11.625 4.256 1.00 0.00 C ATOM 1321 C ASP A 95 18.380 -12.648 5.134 1.00 0.00 C ATOM 1322 O ASP A 95 19.540 -12.943 4.926 1.00 0.00 O ATOM 1323 CB ASP A 95 18.528 -10.390 4.034 1.00 0.00 C ATOM 1324 CG ASP A 95 18.755 -10.186 2.535 1.00 0.00 C ATOM 1325 OD1 ASP A 95 17.876 -10.544 1.768 1.00 0.00 O ATOM 1326 OD2 ASP A 95 19.803 -9.673 2.181 1.00 0.00 O ATOM 0 H ASP A 95 16.482 -11.135 5.975 1.00 0.00 H new ATOM 0 HA ASP A 95 17.408 -12.129 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.049 -9.510 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.484 -10.513 4.544 1.00 0.00 H new ATOM 1331 N ALA A 96 17.709 -13.188 6.114 1.00 0.00 N ATOM 1332 CA ALA A 96 18.367 -14.191 7.004 1.00 0.00 C ATOM 1333 C ALA A 96 17.339 -14.803 7.962 1.00 0.00 C ATOM 1334 O ALA A 96 17.455 -14.693 9.166 1.00 0.00 O ATOM 1335 CB ALA A 96 19.419 -13.399 7.781 1.00 0.00 C ATOM 0 H ALA A 96 16.736 -12.980 6.338 1.00 0.00 H new ATOM 0 HA ALA A 96 18.808 -15.015 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.949 -14.067 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.128 -12.954 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.931 -12.611 8.355 1.00 0.00 H new ATOM 1341 N ARG A 97 16.332 -15.447 7.436 1.00 0.00 N ATOM 1342 CA ARG A 97 15.298 -16.063 8.317 1.00 0.00 C ATOM 1343 C ARG A 97 14.826 -15.050 9.363 1.00 0.00 C ATOM 1344 O ARG A 97 14.259 -14.044 8.971 1.00 0.00 O ATOM 1345 CB ARG A 97 15.997 -17.241 8.994 1.00 0.00 C ATOM 1346 CG ARG A 97 16.320 -18.315 7.954 1.00 0.00 C ATOM 1347 CD ARG A 97 17.702 -18.903 8.243 1.00 0.00 C ATOM 1348 NE ARG A 97 17.822 -20.073 7.330 1.00 0.00 N ATOM 1349 CZ ARG A 97 18.885 -20.216 6.588 1.00 0.00 C ATOM 1350 NH1 ARG A 97 20.072 -20.118 7.122 1.00 0.00 N ATOM 1351 NH2 ARG A 97 18.761 -20.456 5.312 1.00 0.00 N ATOM 1352 OXT ARG A 97 15.039 -15.299 10.538 1.00 0.00 O ATOM 0 H ARG A 97 16.181 -15.573 6.435 1.00 0.00 H new ATOM 0 HA ARG A 97 14.418 -16.380 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.913 -16.903 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.358 -17.656 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.565 -19.101 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.298 -17.885 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.489 -18.173 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.792 -19.206 9.286 1.00 0.00 H new ATOM 0 HE ARG A 97 17.072 -20.763 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.168 -19.930 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.903 -20.230 6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.833 -20.532 4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.592 -20.568 4.731 1.00 0.00 H new TER 1366 ARG A 97