USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 518 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 3 SER OG : rot -2:sc= 1.05 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 14 THR OG1 : rot -102:sc= 0.167 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.19) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 30 GLN : amide:sc= -0.549 K(o=-0.55,f=-2.2!) USER MOD Single : A 35 HIS : no HD1:sc= -5.78! C(o=-5.3!,f=-14!) USER MOD Single : A 38 TYR OH : rot -112:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.97) USER MOD Single : A 44 GLN : amide:sc= 1.28 K(o=1.3,f=-3.1) USER MOD Single : A 47 TYR OH : rot -42:sc= 0.529 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6.9!) USER MOD Single : A 62 SER OG : rot 72:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.048 11.402 -2.795 1.00 0.00 N ATOM 2 CA MET A 1 13.698 11.630 -3.353 1.00 0.00 C ATOM 3 C MET A 1 12.660 11.577 -2.242 1.00 0.00 C ATOM 4 O MET A 1 12.380 10.514 -1.685 1.00 0.00 O ATOM 5 CB MET A 1 13.391 10.580 -4.423 1.00 0.00 C ATOM 6 CG MET A 1 12.068 10.797 -5.137 1.00 0.00 C ATOM 7 SD MET A 1 11.753 9.539 -6.391 1.00 0.00 S ATOM 8 CE MET A 1 10.208 10.132 -7.076 1.00 0.00 C ATOM 0 H1 MET A 1 15.751 11.440 -3.560 1.00 0.00 H new ATOM 0 H2 MET A 1 15.262 12.138 -2.092 1.00 0.00 H new ATOM 0 H3 MET A 1 15.082 10.468 -2.340 1.00 0.00 H new ATOM 0 HA MET A 1 13.664 12.617 -3.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.194 10.581 -5.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.385 9.594 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.258 10.790 -4.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.067 11.782 -5.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.879 9.459 -7.868 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.452 10.167 -6.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.352 11.132 -7.486 1.00 0.00 H new ATOM 18 N ASN A 2 12.102 12.734 -1.921 1.00 0.00 N ATOM 19 CA ASN A 2 11.161 12.858 -0.815 1.00 0.00 C ATOM 20 C ASN A 2 9.794 12.295 -1.189 1.00 0.00 C ATOM 21 O ASN A 2 9.355 12.424 -2.335 1.00 0.00 O ATOM 22 CB ASN A 2 11.029 14.329 -0.400 1.00 0.00 C ATOM 23 CG ASN A 2 10.232 14.514 0.881 1.00 0.00 C ATOM 24 OD1 ASN A 2 9.010 14.650 0.854 1.00 0.00 O ATOM 25 ND2 ASN A 2 10.920 14.525 2.013 1.00 0.00 N ATOM 0 H ASN A 2 12.286 13.608 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 2 11.547 12.280 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.024 14.754 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.549 14.886 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.436 14.649 2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.933 14.409 1.995 1.00 0.00 H new ATOM 32 N SER A 3 9.150 11.659 -0.209 1.00 0.00 N ATOM 33 CA SER A 3 7.803 11.090 -0.332 1.00 0.00 C ATOM 34 C SER A 3 7.731 9.996 -1.402 1.00 0.00 C ATOM 35 O SER A 3 8.707 9.718 -2.105 1.00 0.00 O ATOM 36 CB SER A 3 6.739 12.182 -0.582 1.00 0.00 C ATOM 37 OG SER A 3 6.851 12.766 -1.869 1.00 0.00 O ATOM 0 H SER A 3 9.559 11.521 0.715 1.00 0.00 H new ATOM 0 HA SER A 3 7.578 10.621 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.745 11.749 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.836 12.959 0.176 1.00 0.00 H new ATOM 0 HG SER A 3 7.618 12.377 -2.339 1.00 0.00 H new ATOM 43 N ASP A 4 6.574 9.360 -1.497 1.00 0.00 N ATOM 44 CA ASP A 4 6.374 8.264 -2.433 1.00 0.00 C ATOM 45 C ASP A 4 5.434 8.681 -3.559 1.00 0.00 C ATOM 46 O ASP A 4 4.550 9.520 -3.362 1.00 0.00 O ATOM 47 CB ASP A 4 5.816 7.042 -1.696 1.00 0.00 C ATOM 48 CG ASP A 4 5.356 5.957 -2.645 1.00 0.00 C ATOM 49 OD1 ASP A 4 6.167 5.497 -3.469 1.00 0.00 O ATOM 50 OD2 ASP A 4 4.166 5.597 -2.594 1.00 0.00 O ATOM 0 H ASP A 4 5.754 9.586 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 4 7.336 8.002 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.582 6.640 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.980 7.350 -1.068 1.00 0.00 H new ATOM 55 N VAL A 5 5.629 8.091 -4.733 1.00 0.00 N ATOM 56 CA VAL A 5 4.828 8.417 -5.905 1.00 0.00 C ATOM 57 C VAL A 5 3.444 7.776 -5.825 1.00 0.00 C ATOM 58 O VAL A 5 2.451 8.373 -6.236 1.00 0.00 O ATOM 59 CB VAL A 5 5.527 7.983 -7.218 1.00 0.00 C ATOM 60 CG1 VAL A 5 6.795 8.793 -7.439 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.845 6.492 -7.209 1.00 0.00 C ATOM 0 H VAL A 5 6.341 7.379 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 5 4.717 9.501 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 5 4.839 8.175 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.273 8.475 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.544 9.852 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.478 8.634 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.335 6.219 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.507 6.266 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.921 5.924 -7.104 1.00 0.00 H new ATOM 71 N ILE A 6 3.382 6.579 -5.260 1.00 0.00 N ATOM 72 CA ILE A 6 2.131 5.840 -5.165 1.00 0.00 C ATOM 73 C ILE A 6 1.255 6.434 -4.070 1.00 0.00 C ATOM 74 O ILE A 6 0.038 6.506 -4.196 1.00 0.00 O ATOM 75 CB ILE A 6 2.391 4.344 -4.884 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.334 3.773 -5.946 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.083 3.567 -4.857 1.00 0.00 C ATOM 78 CD1 ILE A 6 3.756 2.346 -5.682 1.00 0.00 C ATOM 0 H ILE A 6 4.187 6.097 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 6 1.614 5.921 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 6 2.861 4.247 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.844 3.823 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.223 4.400 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.289 2.515 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.439 3.966 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.583 3.663 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.423 2.011 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.275 2.291 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.875 1.705 -5.654 1.00 0.00 H new ATOM 90 N LYS A 7 1.898 6.876 -3.000 1.00 0.00 N ATOM 91 CA LYS A 7 1.216 7.560 -1.909 1.00 0.00 C ATOM 92 C LYS A 7 0.562 8.851 -2.401 1.00 0.00 C ATOM 93 O LYS A 7 -0.441 9.303 -1.847 1.00 0.00 O ATOM 94 CB LYS A 7 2.213 7.879 -0.792 1.00 0.00 C ATOM 95 CG LYS A 7 1.573 8.454 0.461 1.00 0.00 C ATOM 96 CD LYS A 7 2.616 8.850 1.488 1.00 0.00 C ATOM 97 CE LYS A 7 1.968 9.314 2.781 1.00 0.00 C ATOM 98 NZ LYS A 7 2.967 9.834 3.749 1.00 0.00 N ATOM 0 H LYS A 7 2.903 6.772 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 7 0.437 6.902 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.751 6.968 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.951 8.587 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.972 9.324 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.895 7.719 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.271 8.002 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.242 9.647 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.237 10.092 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.424 8.484 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.483 10.140 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.650 9.084 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.469 10.643 3.329 1.00 0.00 H new ATOM 112 N GLY A 8 1.137 9.439 -3.441 1.00 0.00 N ATOM 113 CA GLY A 8 0.617 10.685 -3.969 1.00 0.00 C ATOM 114 C GLY A 8 -0.395 10.477 -5.079 1.00 0.00 C ATOM 115 O GLY A 8 -1.403 11.182 -5.145 1.00 0.00 O ATOM 0 H GLY A 8 1.955 9.075 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.152 11.251 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.444 11.288 -4.346 1.00 0.00 H new ATOM 119 N LYS A 9 -0.137 9.507 -5.952 1.00 0.00 N ATOM 120 CA LYS A 9 -0.999 9.265 -7.109 1.00 0.00 C ATOM 121 C LYS A 9 -1.859 8.019 -6.908 1.00 0.00 C ATOM 122 O LYS A 9 -2.250 7.378 -7.879 1.00 0.00 O ATOM 123 CB LYS A 9 -0.158 9.074 -8.374 1.00 0.00 C ATOM 124 CG LYS A 9 0.924 10.119 -8.591 1.00 0.00 C ATOM 125 CD LYS A 9 1.634 9.879 -9.913 1.00 0.00 C ATOM 126 CE LYS A 9 2.950 10.635 -10.010 1.00 0.00 C ATOM 127 NZ LYS A 9 3.593 10.448 -11.339 1.00 0.00 N ATOM 0 H LYS A 9 0.661 8.875 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.645 10.136 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.311 8.091 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.823 9.077 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.483 11.116 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.643 10.083 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.821 8.812 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.983 10.182 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.774 11.697 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.626 10.292 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.488 10.977 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.783 9.437 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.958 10.798 -12.084 1.00 0.00 H new ATOM 141 N TRP A 10 -2.170 7.696 -5.660 1.00 0.00 N ATOM 142 CA TRP A 10 -2.902 6.474 -5.329 1.00 0.00 C ATOM 143 C TRP A 10 -4.186 6.332 -6.150 1.00 0.00 C ATOM 144 O TRP A 10 -4.421 5.303 -6.779 1.00 0.00 O ATOM 145 CB TRP A 10 -3.231 6.451 -3.833 1.00 0.00 C ATOM 146 CG TRP A 10 -4.020 5.246 -3.415 1.00 0.00 C ATOM 147 CD1 TRP A 10 -5.361 5.193 -3.164 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.520 3.918 -3.212 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.726 3.914 -2.817 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.613 3.113 -2.842 1.00 0.00 C ATOM 151 CE3 TRP A 10 -2.255 3.330 -3.309 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.479 1.753 -2.573 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -2.123 1.981 -3.040 1.00 0.00 C ATOM 154 CH2 TRP A 10 -3.229 1.205 -2.676 1.00 0.00 C ATOM 0 H TRP A 10 -1.925 8.267 -4.851 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.260 5.629 -5.577 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.302 6.483 -3.264 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.792 7.350 -3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.036 6.033 -3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.670 3.610 -2.580 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.395 3.920 -3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.331 1.152 -2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.150 1.518 -3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.094 0.153 -2.472 1.00 0.00 H new ATOM 165 N LYS A 11 -4.991 7.385 -6.172 1.00 0.00 N ATOM 166 CA LYS A 11 -6.289 7.344 -6.831 1.00 0.00 C ATOM 167 C LYS A 11 -6.135 7.435 -8.349 1.00 0.00 C ATOM 168 O LYS A 11 -7.078 7.181 -9.101 1.00 0.00 O ATOM 169 CB LYS A 11 -7.163 8.485 -6.305 1.00 0.00 C ATOM 170 CG LYS A 11 -8.626 8.395 -6.720 1.00 0.00 C ATOM 171 CD LYS A 11 -9.467 9.454 -6.025 1.00 0.00 C ATOM 172 CE LYS A 11 -9.425 9.285 -4.514 1.00 0.00 C ATOM 173 NZ LYS A 11 -10.173 10.354 -3.807 1.00 0.00 N ATOM 0 H LYS A 11 -4.767 8.281 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.770 6.392 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.106 8.499 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.755 9.432 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.707 8.515 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.014 7.405 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.102 10.446 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.498 9.389 -6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.843 8.314 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.388 9.288 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.116 10.197 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.759 11.279 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.169 10.336 -4.105 1.00 0.00 H new ATOM 187 N GLN A 12 -4.939 7.789 -8.794 1.00 0.00 N ATOM 188 CA GLN A 12 -4.657 7.898 -10.218 1.00 0.00 C ATOM 189 C GLN A 12 -4.098 6.583 -10.746 1.00 0.00 C ATOM 190 O GLN A 12 -4.446 6.139 -11.837 1.00 0.00 O ATOM 191 CB GLN A 12 -3.655 9.024 -10.480 1.00 0.00 C ATOM 192 CG GLN A 12 -4.109 10.379 -9.974 1.00 0.00 C ATOM 193 CD GLN A 12 -3.161 11.488 -10.376 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.211 11.803 -9.657 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.412 12.087 -11.527 1.00 0.00 N ATOM 0 H GLN A 12 -4.147 8.006 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.589 8.125 -10.736 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.706 8.770 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.470 9.091 -11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.104 10.595 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.191 10.350 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.210 11.794 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.808 12.842 -11.851 1.00 0.00 H new ATOM 204 N LEU A 13 -3.253 5.952 -9.947 1.00 0.00 N ATOM 205 CA LEU A 13 -2.551 4.742 -10.353 1.00 0.00 C ATOM 206 C LEU A 13 -3.446 3.510 -10.285 1.00 0.00 C ATOM 207 O LEU A 13 -3.025 2.416 -10.658 1.00 0.00 O ATOM 208 CB LEU A 13 -1.319 4.542 -9.469 1.00 0.00 C ATOM 209 CG LEU A 13 -0.247 5.625 -9.600 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.903 5.359 -8.645 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.262 5.707 -11.030 1.00 0.00 C ATOM 0 H LEU A 13 -3.034 6.262 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.247 4.867 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.641 4.494 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.871 3.578 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.699 6.582 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.655 6.141 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.531 5.353 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.350 4.392 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.024 6.483 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.693 4.748 -11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.565 5.948 -11.697 1.00 0.00 H new ATOM 223 N THR A 14 -4.677 3.698 -9.826 1.00 0.00 N ATOM 224 CA THR A 14 -5.637 2.607 -9.682 1.00 0.00 C ATOM 225 C THR A 14 -5.773 1.784 -10.967 1.00 0.00 C ATOM 226 O THR A 14 -5.824 0.552 -10.926 1.00 0.00 O ATOM 227 CB THR A 14 -7.020 3.154 -9.288 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.380 4.240 -10.156 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.030 3.626 -7.843 1.00 0.00 C ATOM 0 H THR A 14 -5.039 4.609 -9.543 1.00 0.00 H new ATOM 0 HA THR A 14 -5.256 1.955 -8.896 1.00 0.00 H new ATOM 0 HB THR A 14 -7.747 2.348 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.235 5.091 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.020 4.008 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.785 2.791 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.292 4.418 -7.714 1.00 0.00 H new ATOM 237 N GLY A 15 -5.818 2.473 -12.103 1.00 0.00 N ATOM 238 CA GLY A 15 -5.966 1.806 -13.382 1.00 0.00 C ATOM 239 C GLY A 15 -4.758 0.974 -13.756 1.00 0.00 C ATOM 240 O GLY A 15 -4.894 -0.159 -14.220 1.00 0.00 O ATOM 0 H GLY A 15 -5.754 3.489 -12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.847 1.165 -13.352 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.141 2.552 -14.157 1.00 0.00 H new ATOM 244 N LYS A 16 -3.573 1.529 -13.553 1.00 0.00 N ATOM 245 CA LYS A 16 -2.339 0.824 -13.869 1.00 0.00 C ATOM 246 C LYS A 16 -2.116 -0.355 -12.932 1.00 0.00 C ATOM 247 O LYS A 16 -1.596 -1.388 -13.344 1.00 0.00 O ATOM 248 CB LYS A 16 -1.145 1.773 -13.824 1.00 0.00 C ATOM 249 CG LYS A 16 -1.036 2.662 -15.050 1.00 0.00 C ATOM 250 CD LYS A 16 0.271 3.434 -15.057 1.00 0.00 C ATOM 251 CE LYS A 16 0.534 4.073 -16.412 1.00 0.00 C ATOM 252 NZ LYS A 16 1.862 4.734 -16.457 1.00 0.00 N ATOM 0 H LYS A 16 -3.439 2.465 -13.171 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.435 0.434 -14.882 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.221 2.400 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.230 1.189 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.106 2.053 -15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.873 3.360 -15.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.242 4.207 -14.289 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.092 2.763 -14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.479 3.312 -17.190 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.245 4.805 -16.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.007 5.158 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.905 5.477 -15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.606 4.030 -16.277 1.00 0.00 H new ATOM 266 N ILE A 17 -2.518 -0.209 -11.677 1.00 0.00 N ATOM 267 CA ILE A 17 -2.423 -1.312 -10.725 1.00 0.00 C ATOM 268 C ILE A 17 -3.333 -2.459 -11.165 1.00 0.00 C ATOM 269 O ILE A 17 -2.938 -3.631 -11.154 1.00 0.00 O ATOM 270 CB ILE A 17 -2.805 -0.871 -9.294 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.887 0.256 -8.818 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.725 -2.053 -8.344 1.00 0.00 C ATOM 273 CD1 ILE A 17 -2.244 0.799 -7.448 1.00 0.00 C ATOM 0 H ILE A 17 -2.909 0.652 -11.295 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.385 -1.644 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.829 -0.499 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.860 -0.109 -8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.922 1.070 -9.542 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.996 -1.731 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.413 -2.832 -8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.708 -2.446 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.549 1.594 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.259 1.195 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.181 -0.002 -6.711 1.00 0.00 H new ATOM 285 N LYS A 18 -4.545 -2.100 -11.576 1.00 0.00 N ATOM 286 CA LYS A 18 -5.507 -3.053 -12.120 1.00 0.00 C ATOM 287 C LYS A 18 -4.950 -3.743 -13.370 1.00 0.00 C ATOM 288 O LYS A 18 -5.277 -4.891 -13.656 1.00 0.00 O ATOM 289 CB LYS A 18 -6.822 -2.328 -12.447 1.00 0.00 C ATOM 290 CG LYS A 18 -7.880 -3.206 -13.097 1.00 0.00 C ATOM 291 CD LYS A 18 -8.305 -4.341 -12.184 1.00 0.00 C ATOM 292 CE LYS A 18 -9.214 -5.315 -12.911 1.00 0.00 C ATOM 293 NZ LYS A 18 -9.612 -6.456 -12.052 1.00 0.00 N ATOM 0 H LYS A 18 -4.888 -1.140 -11.541 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.698 -3.823 -11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.230 -1.909 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.605 -1.490 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.749 -2.600 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.491 -3.615 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.423 -4.866 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.821 -3.937 -11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.107 -4.791 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.705 -5.691 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.103 -7.169 -12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.765 -6.880 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.248 -6.120 -11.301 1.00 0.00 H new ATOM 307 N GLU A 19 -4.104 -3.035 -14.106 1.00 0.00 N ATOM 308 CA GLU A 19 -3.482 -3.588 -15.303 1.00 0.00 C ATOM 309 C GLU A 19 -2.316 -4.499 -14.921 1.00 0.00 C ATOM 310 O GLU A 19 -2.225 -5.633 -15.386 1.00 0.00 O ATOM 311 CB GLU A 19 -3.012 -2.443 -16.221 1.00 0.00 C ATOM 312 CG GLU A 19 -2.450 -2.880 -17.574 1.00 0.00 C ATOM 313 CD GLU A 19 -1.003 -3.336 -17.505 1.00 0.00 C ATOM 314 OE1 GLU A 19 -0.158 -2.562 -17.009 1.00 0.00 O ATOM 315 OE2 GLU A 19 -0.700 -4.457 -17.967 1.00 0.00 O ATOM 0 H GLU A 19 -3.832 -2.075 -13.895 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.213 -4.188 -15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.852 -1.771 -16.395 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.248 -1.869 -15.697 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.061 -3.692 -17.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.529 -2.051 -18.277 1.00 0.00 H new ATOM 322 N ARG A 20 -1.443 -3.997 -14.059 1.00 0.00 N ATOM 323 CA ARG A 20 -0.233 -4.715 -13.675 1.00 0.00 C ATOM 324 C ARG A 20 -0.532 -6.045 -12.991 1.00 0.00 C ATOM 325 O ARG A 20 -0.110 -7.099 -13.465 1.00 0.00 O ATOM 326 CB ARG A 20 0.641 -3.846 -12.763 1.00 0.00 C ATOM 327 CG ARG A 20 1.363 -2.714 -13.486 1.00 0.00 C ATOM 328 CD ARG A 20 2.399 -3.234 -14.479 1.00 0.00 C ATOM 329 NE ARG A 20 1.790 -3.910 -15.623 1.00 0.00 N ATOM 330 CZ ARG A 20 2.199 -5.083 -16.102 1.00 0.00 C ATOM 331 NH1 ARG A 20 3.249 -5.700 -15.566 1.00 0.00 N ATOM 332 NH2 ARG A 20 1.553 -5.641 -17.113 1.00 0.00 N ATOM 0 H ARG A 20 -1.551 -3.088 -13.609 1.00 0.00 H new ATOM 0 HA ARG A 20 0.305 -4.936 -14.597 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.017 -3.421 -11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.380 -4.480 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.634 -2.098 -14.013 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.853 -2.072 -12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.006 -2.402 -14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.071 -3.924 -13.969 1.00 0.00 H new ATOM 0 HE ARG A 20 1.002 -3.454 -16.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.746 -5.275 -14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.557 -6.598 -15.938 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.745 -5.173 -17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.863 -6.540 -17.483 1.00 0.00 H new ATOM 346 N TRP A 21 -1.258 -6.006 -11.885 1.00 0.00 N ATOM 347 CA TRP A 21 -1.464 -7.210 -11.091 1.00 0.00 C ATOM 348 C TRP A 21 -2.832 -7.839 -11.352 1.00 0.00 C ATOM 349 O TRP A 21 -3.020 -9.038 -11.141 1.00 0.00 O ATOM 350 CB TRP A 21 -1.238 -6.903 -9.611 1.00 0.00 C ATOM 351 CG TRP A 21 0.170 -6.459 -9.353 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.307 -7.121 -9.716 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.599 -5.261 -8.694 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.413 -6.407 -9.336 1.00 0.00 N ATOM 355 CE2 TRP A 21 2.006 -5.264 -8.700 1.00 0.00 C ATOM 356 CE3 TRP A 21 -0.069 -4.190 -8.102 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.754 -4.232 -8.139 1.00 0.00 C ATOM 358 CZ3 TRP A 21 0.676 -3.165 -7.541 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.076 -3.194 -7.564 1.00 0.00 C ATOM 0 H TRP A 21 -1.709 -5.168 -11.519 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.730 -7.956 -11.397 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.931 -6.126 -9.289 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.456 -7.790 -9.016 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.331 -8.071 -10.229 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.382 -6.682 -9.500 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.148 -4.160 -8.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.834 -4.251 -8.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.169 -2.331 -7.079 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.630 -2.381 -7.119 1.00 0.00 H new ATOM 370 N GLY A 22 -3.780 -7.034 -11.811 1.00 0.00 N ATOM 371 CA GLY A 22 -5.024 -7.572 -12.335 1.00 0.00 C ATOM 372 C GLY A 22 -6.071 -7.892 -11.285 1.00 0.00 C ATOM 373 O GLY A 22 -7.113 -7.242 -11.227 1.00 0.00 O ATOM 0 H GLY A 22 -3.712 -6.016 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.445 -6.856 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.803 -8.480 -12.896 1.00 0.00 H new ATOM 377 N ASP A 23 -5.797 -8.890 -10.455 1.00 0.00 N ATOM 378 CA ASP A 23 -6.811 -9.432 -9.546 1.00 0.00 C ATOM 379 C ASP A 23 -7.199 -8.447 -8.444 1.00 0.00 C ATOM 380 O ASP A 23 -8.267 -8.577 -7.845 1.00 0.00 O ATOM 381 CB ASP A 23 -6.334 -10.748 -8.925 1.00 0.00 C ATOM 382 CG ASP A 23 -7.430 -11.442 -8.135 1.00 0.00 C ATOM 383 OD1 ASP A 23 -8.354 -12.002 -8.759 1.00 0.00 O ATOM 384 OD2 ASP A 23 -7.371 -11.442 -6.888 1.00 0.00 O ATOM 0 H ASP A 23 -4.885 -9.343 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.701 -9.616 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.981 -11.413 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.485 -10.552 -8.270 1.00 0.00 H new ATOM 389 N LEU A 24 -6.338 -7.473 -8.177 1.00 0.00 N ATOM 390 CA LEU A 24 -6.616 -6.464 -7.157 1.00 0.00 C ATOM 391 C LEU A 24 -7.900 -5.707 -7.479 1.00 0.00 C ATOM 392 O LEU A 24 -8.080 -5.208 -8.594 1.00 0.00 O ATOM 393 CB LEU A 24 -5.442 -5.490 -7.032 1.00 0.00 C ATOM 394 CG LEU A 24 -4.144 -6.113 -6.515 1.00 0.00 C ATOM 395 CD1 LEU A 24 -3.055 -5.061 -6.411 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.370 -6.773 -5.163 1.00 0.00 C ATOM 0 H LEU A 24 -5.442 -7.358 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.749 -6.974 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.251 -5.046 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.731 -4.679 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.824 -6.876 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.139 -5.521 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.873 -4.628 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.371 -4.277 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.436 -7.211 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.714 -6.027 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.123 -7.555 -5.261 1.00 0.00 H new ATOM 408 N THR A 25 -8.787 -5.627 -6.499 1.00 0.00 N ATOM 409 CA THR A 25 -10.086 -5.013 -6.703 1.00 0.00 C ATOM 410 C THR A 25 -10.062 -3.546 -6.278 1.00 0.00 C ATOM 411 O THR A 25 -9.068 -3.059 -5.733 1.00 0.00 O ATOM 412 CB THR A 25 -11.202 -5.776 -5.946 1.00 0.00 C ATOM 413 OG1 THR A 25 -12.486 -5.217 -6.250 1.00 0.00 O ATOM 414 CG2 THR A 25 -10.982 -5.737 -4.443 1.00 0.00 C ATOM 0 H THR A 25 -8.629 -5.980 -5.555 1.00 0.00 H new ATOM 0 HA THR A 25 -10.310 -5.066 -7.768 1.00 0.00 H new ATOM 0 HB THR A 25 -11.167 -6.814 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.181 -5.711 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.783 -6.282 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.025 -6.200 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.980 -4.702 -4.102 1.00 0.00 H new ATOM 422 N ASP A 26 -11.166 -2.847 -6.514 1.00 0.00 N ATOM 423 CA ASP A 26 -11.249 -1.419 -6.225 1.00 0.00 C ATOM 424 C ASP A 26 -11.277 -1.173 -4.721 1.00 0.00 C ATOM 425 O ASP A 26 -11.094 -0.045 -4.265 1.00 0.00 O ATOM 426 CB ASP A 26 -12.483 -0.797 -6.886 1.00 0.00 C ATOM 427 CG ASP A 26 -13.784 -1.177 -6.208 1.00 0.00 C ATOM 428 OD1 ASP A 26 -14.293 -2.290 -6.459 1.00 0.00 O ATOM 429 OD2 ASP A 26 -14.315 -0.355 -5.433 1.00 0.00 O ATOM 0 H ASP A 26 -12.019 -3.247 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.360 -0.943 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.382 0.288 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.522 -1.107 -7.930 1.00 0.00 H new ATOM 434 N ASP A 27 -11.516 -2.230 -3.957 1.00 0.00 N ATOM 435 CA ASP A 27 -11.431 -2.151 -2.506 1.00 0.00 C ATOM 436 C ASP A 27 -9.981 -2.021 -2.086 1.00 0.00 C ATOM 437 O ASP A 27 -9.638 -1.192 -1.243 1.00 0.00 O ATOM 438 CB ASP A 27 -12.041 -3.388 -1.839 1.00 0.00 C ATOM 439 CG ASP A 27 -13.543 -3.456 -1.980 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.248 -2.813 -1.174 1.00 0.00 O ATOM 441 OD2 ASP A 27 -14.027 -4.160 -2.888 1.00 0.00 O ATOM 0 H ASP A 27 -11.770 -3.150 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.996 -1.276 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.600 -4.284 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.781 -3.388 -0.780 1.00 0.00 H new ATOM 446 N ASP A 28 -9.131 -2.843 -2.689 1.00 0.00 N ATOM 447 CA ASP A 28 -7.703 -2.813 -2.408 1.00 0.00 C ATOM 448 C ASP A 28 -7.117 -1.495 -2.878 1.00 0.00 C ATOM 449 O ASP A 28 -6.209 -0.943 -2.260 1.00 0.00 O ATOM 450 CB ASP A 28 -6.973 -3.959 -3.123 1.00 0.00 C ATOM 451 CG ASP A 28 -7.575 -5.322 -2.853 1.00 0.00 C ATOM 452 OD1 ASP A 28 -7.620 -5.737 -1.674 1.00 0.00 O ATOM 453 OD2 ASP A 28 -7.995 -5.988 -3.824 1.00 0.00 O ATOM 0 H ASP A 28 -9.409 -3.541 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.571 -2.926 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.984 -3.772 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.929 -3.964 -2.811 1.00 0.00 H new ATOM 458 N LEU A 29 -7.667 -0.987 -3.970 1.00 0.00 N ATOM 459 CA LEU A 29 -7.140 0.209 -4.613 1.00 0.00 C ATOM 460 C LEU A 29 -7.806 1.479 -4.089 1.00 0.00 C ATOM 461 O LEU A 29 -7.583 2.564 -4.616 1.00 0.00 O ATOM 462 CB LEU A 29 -7.330 0.107 -6.127 1.00 0.00 C ATOM 463 CG LEU A 29 -6.807 -1.187 -6.758 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.961 -1.143 -8.268 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.354 -1.430 -6.367 1.00 0.00 C ATOM 0 H LEU A 29 -8.483 -1.387 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.078 0.273 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.392 0.200 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.829 0.952 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.401 -2.018 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.584 -2.070 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.014 -1.026 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.395 -0.301 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.003 -2.354 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.740 -0.598 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.278 -1.512 -5.283 1.00 0.00 H new ATOM 477 N GLN A 30 -8.619 1.345 -3.051 1.00 0.00 N ATOM 478 CA GLN A 30 -9.263 2.498 -2.437 1.00 0.00 C ATOM 479 C GLN A 30 -9.543 2.220 -0.967 1.00 0.00 C ATOM 480 O GLN A 30 -10.686 1.973 -0.574 1.00 0.00 O ATOM 481 CB GLN A 30 -10.555 2.865 -3.182 1.00 0.00 C ATOM 482 CG GLN A 30 -11.232 4.140 -2.688 1.00 0.00 C ATOM 483 CD GLN A 30 -10.286 5.324 -2.603 1.00 0.00 C ATOM 484 OE1 GLN A 30 -10.083 6.050 -3.578 1.00 0.00 O ATOM 485 NE2 GLN A 30 -9.734 5.552 -1.420 1.00 0.00 N ATOM 0 H GLN A 30 -8.848 0.451 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.587 3.350 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.328 2.977 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.259 2.037 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.056 4.389 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.664 3.957 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.928 4.927 -0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.115 6.353 -1.292 1.00 0.00 H new ATOM 494 N ALA A 31 -8.471 2.221 -0.176 1.00 0.00 N ATOM 495 CA ALA A 31 -8.545 2.002 1.266 1.00 0.00 C ATOM 496 C ALA A 31 -7.144 1.999 1.856 1.00 0.00 C ATOM 497 O ALA A 31 -6.795 1.117 2.642 1.00 0.00 O ATOM 498 CB ALA A 31 -9.230 0.678 1.578 1.00 0.00 C ATOM 0 H ALA A 31 -7.523 2.375 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.130 2.809 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.274 0.536 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.242 0.687 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.666 -0.139 1.128 1.00 0.00 H new ATOM 504 N ALA A 32 -6.340 2.989 1.487 1.00 0.00 N ATOM 505 CA ALA A 32 -4.935 2.979 1.857 1.00 0.00 C ATOM 506 C ALA A 32 -4.360 4.374 2.016 1.00 0.00 C ATOM 507 O ALA A 32 -4.974 5.370 1.628 1.00 0.00 O ATOM 508 CB ALA A 32 -4.133 2.232 0.811 1.00 0.00 C ATOM 0 H ALA A 32 -6.634 3.798 0.939 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.867 2.480 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.080 2.228 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.494 1.206 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.247 2.724 -0.155 1.00 0.00 H new ATOM 514 N ASP A 33 -3.164 4.417 2.582 1.00 0.00 N ATOM 515 CA ASP A 33 -2.383 5.641 2.676 1.00 0.00 C ATOM 516 C ASP A 33 -1.255 5.619 1.652 1.00 0.00 C ATOM 517 O ASP A 33 -0.293 6.379 1.751 1.00 0.00 O ATOM 518 CB ASP A 33 -1.810 5.823 4.089 1.00 0.00 C ATOM 519 CG ASP A 33 -1.614 4.516 4.833 1.00 0.00 C ATOM 520 OD1 ASP A 33 -0.683 3.758 4.498 1.00 0.00 O ATOM 521 OD2 ASP A 33 -2.399 4.240 5.761 1.00 0.00 O ATOM 0 H ASP A 33 -2.706 3.602 2.990 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.042 6.483 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.853 6.341 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.479 6.463 4.664 1.00 0.00 H new ATOM 526 N GLY A 34 -1.390 4.739 0.665 1.00 0.00 N ATOM 527 CA GLY A 34 -0.408 4.641 -0.396 1.00 0.00 C ATOM 528 C GLY A 34 0.864 3.954 0.054 1.00 0.00 C ATOM 529 O GLY A 34 0.811 3.035 0.868 1.00 0.00 O ATOM 0 H GLY A 34 -2.170 4.087 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.837 4.092 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.169 5.641 -0.759 1.00 0.00 H new ATOM 533 N HIS A 35 1.992 4.424 -0.488 1.00 0.00 N ATOM 534 CA HIS A 35 3.352 3.930 -0.194 1.00 0.00 C ATOM 535 C HIS A 35 3.516 2.411 -0.375 1.00 0.00 C ATOM 536 O HIS A 35 2.560 1.632 -0.315 1.00 0.00 O ATOM 537 CB HIS A 35 3.889 4.412 1.180 1.00 0.00 C ATOM 538 CG HIS A 35 3.195 3.879 2.402 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.650 2.801 3.116 1.00 0.00 N ATOM 540 CD2 HIS A 35 2.094 4.308 3.051 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.850 2.586 4.147 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.895 3.490 4.128 1.00 0.00 N ATOM 0 H HIS A 35 1.989 5.185 -1.167 1.00 0.00 H new ATOM 0 HA HIS A 35 3.981 4.389 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.944 4.146 1.245 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.833 5.500 1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.478 5.149 2.770 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.962 1.801 4.880 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.134 3.568 4.803 1.00 0.00 H new ATOM 551 N ALA A 36 4.758 2.005 -0.611 1.00 0.00 N ATOM 552 CA ALA A 36 5.086 0.626 -0.958 1.00 0.00 C ATOM 553 C ALA A 36 4.644 -0.362 0.113 1.00 0.00 C ATOM 554 O ALA A 36 4.127 -1.436 -0.197 1.00 0.00 O ATOM 555 CB ALA A 36 6.580 0.502 -1.202 1.00 0.00 C ATOM 0 H ALA A 36 5.568 2.623 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 36 4.540 0.376 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.822 -0.529 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.871 1.160 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.121 0.786 -0.299 1.00 0.00 H new ATOM 561 N GLU A 37 4.845 0.019 1.367 1.00 0.00 N ATOM 562 CA GLU A 37 4.543 -0.835 2.513 1.00 0.00 C ATOM 563 C GLU A 37 3.116 -1.380 2.481 1.00 0.00 C ATOM 564 O GLU A 37 2.875 -2.523 2.877 1.00 0.00 O ATOM 565 CB GLU A 37 4.776 -0.071 3.816 1.00 0.00 C ATOM 566 CG GLU A 37 6.231 0.316 4.043 1.00 0.00 C ATOM 567 CD GLU A 37 6.558 1.702 3.530 1.00 0.00 C ATOM 568 OE1 GLU A 37 6.098 2.056 2.428 1.00 0.00 O ATOM 569 OE2 GLU A 37 7.238 2.455 4.251 1.00 0.00 O ATOM 0 H GLU A 37 5.223 0.931 1.621 1.00 0.00 H new ATOM 0 HA GLU A 37 5.218 -1.689 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.165 0.832 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.437 -0.683 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.453 0.267 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.876 -0.410 3.549 1.00 0.00 H new ATOM 576 N TYR A 38 2.170 -0.574 2.011 1.00 0.00 N ATOM 577 CA TYR A 38 0.781 -1.009 1.971 1.00 0.00 C ATOM 578 C TYR A 38 0.579 -2.027 0.854 1.00 0.00 C ATOM 579 O TYR A 38 -0.091 -3.045 1.044 1.00 0.00 O ATOM 580 CB TYR A 38 -0.174 0.175 1.789 1.00 0.00 C ATOM 581 CG TYR A 38 -1.633 -0.222 1.887 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.327 -0.686 0.774 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.313 -0.142 3.094 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.654 -1.058 0.863 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.641 -0.512 3.190 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.305 -0.971 2.073 1.00 0.00 C ATOM 587 OH TYR A 38 -5.631 -1.333 2.164 1.00 0.00 O ATOM 0 H TYR A 38 2.336 0.368 1.658 1.00 0.00 H new ATOM 0 HA TYR A 38 0.551 -1.478 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.043 0.930 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.007 0.635 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.819 -0.757 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.796 0.215 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.178 -1.415 -0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.156 -0.442 4.136 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.176 -0.537 2.338 1.00 0.00 H new ATOM 597 N LEU A 39 1.175 -1.756 -0.305 1.00 0.00 N ATOM 598 CA LEU A 39 1.065 -2.660 -1.442 1.00 0.00 C ATOM 599 C LEU A 39 1.627 -4.026 -1.095 1.00 0.00 C ATOM 600 O LEU A 39 1.017 -5.042 -1.408 1.00 0.00 O ATOM 601 CB LEU A 39 1.789 -2.108 -2.672 1.00 0.00 C ATOM 602 CG LEU A 39 1.145 -0.886 -3.323 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.937 -0.456 -4.544 1.00 0.00 C ATOM 604 CD2 LEU A 39 -0.297 -1.179 -3.707 1.00 0.00 C ATOM 0 H LEU A 39 1.736 -0.922 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 39 0.005 -2.753 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.809 -1.850 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.858 -2.901 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 39 1.150 -0.071 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.464 0.416 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.955 -0.204 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.961 -1.271 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.737 -0.295 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.324 -2.009 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.865 -1.443 -2.815 1.00 0.00 H new ATOM 616 N VAL A 40 2.781 -4.038 -0.433 1.00 0.00 N ATOM 617 CA VAL A 40 3.414 -5.283 -0.009 1.00 0.00 C ATOM 618 C VAL A 40 2.420 -6.150 0.758 1.00 0.00 C ATOM 619 O VAL A 40 2.278 -7.338 0.479 1.00 0.00 O ATOM 620 CB VAL A 40 4.653 -5.021 0.874 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.295 -6.330 1.316 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.660 -4.159 0.132 1.00 0.00 C ATOM 0 H VAL A 40 3.298 -3.196 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 40 3.738 -5.805 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 40 4.327 -4.487 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.165 -6.117 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.574 -6.913 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.605 -6.898 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.527 -3.984 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.975 -4.669 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.201 -3.205 -0.127 1.00 0.00 H new ATOM 632 N GLY A 41 1.715 -5.533 1.702 1.00 0.00 N ATOM 633 CA GLY A 41 0.713 -6.246 2.468 1.00 0.00 C ATOM 634 C GLY A 41 -0.400 -6.792 1.592 1.00 0.00 C ATOM 635 O GLY A 41 -0.760 -7.960 1.697 1.00 0.00 O ATOM 0 H GLY A 41 1.822 -4.549 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.186 -7.068 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.288 -5.578 3.217 1.00 0.00 H new ATOM 639 N LYS A 42 -0.927 -5.952 0.708 1.00 0.00 N ATOM 640 CA LYS A 42 -2.022 -6.350 -0.175 1.00 0.00 C ATOM 641 C LYS A 42 -1.603 -7.444 -1.151 1.00 0.00 C ATOM 642 O LYS A 42 -2.382 -8.347 -1.455 1.00 0.00 O ATOM 643 CB LYS A 42 -2.548 -5.142 -0.951 1.00 0.00 C ATOM 644 CG LYS A 42 -3.588 -4.344 -0.189 1.00 0.00 C ATOM 645 CD LYS A 42 -4.840 -5.169 0.044 1.00 0.00 C ATOM 646 CE LYS A 42 -5.932 -4.372 0.737 1.00 0.00 C ATOM 647 NZ LYS A 42 -7.188 -5.155 0.843 1.00 0.00 N ATOM 0 H LYS A 42 -0.614 -4.989 0.582 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.813 -6.751 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.712 -4.489 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.980 -5.484 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.176 -4.022 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.841 -3.442 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.213 -5.538 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.591 -6.042 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.597 -4.082 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.120 -3.452 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.990 -4.507 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.330 -5.703 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.125 -5.804 1.653 1.00 0.00 H new ATOM 661 N LEU A 43 -0.375 -7.367 -1.634 1.00 0.00 N ATOM 662 CA LEU A 43 0.131 -8.339 -2.594 1.00 0.00 C ATOM 663 C LEU A 43 0.339 -9.696 -1.920 1.00 0.00 C ATOM 664 O LEU A 43 0.226 -10.747 -2.557 1.00 0.00 O ATOM 665 CB LEU A 43 1.426 -7.817 -3.227 1.00 0.00 C ATOM 666 CG LEU A 43 1.277 -6.468 -3.944 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.633 -5.895 -4.329 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.392 -6.609 -5.173 1.00 0.00 C ATOM 0 H LEU A 43 0.293 -6.640 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.602 -8.478 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.184 -7.721 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.792 -8.556 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 43 0.803 -5.773 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.494 -4.940 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.233 -5.746 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.145 -6.588 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.299 -5.642 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.837 -7.327 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.595 -6.959 -4.872 1.00 0.00 H new ATOM 680 N GLN A 44 0.608 -9.669 -0.621 1.00 0.00 N ATOM 681 CA GLN A 44 0.729 -10.893 0.163 1.00 0.00 C ATOM 682 C GLN A 44 -0.651 -11.380 0.591 1.00 0.00 C ATOM 683 O GLN A 44 -0.913 -12.582 0.641 1.00 0.00 O ATOM 684 CB GLN A 44 1.612 -10.652 1.391 1.00 0.00 C ATOM 685 CG GLN A 44 3.030 -10.235 1.044 1.00 0.00 C ATOM 686 CD GLN A 44 3.758 -11.286 0.238 1.00 0.00 C ATOM 687 OE1 GLN A 44 3.674 -11.312 -0.989 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.493 -12.146 0.919 1.00 0.00 N ATOM 0 H GLN A 44 0.747 -8.811 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 44 1.195 -11.660 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.156 -9.880 2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.645 -11.563 1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.004 -9.302 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.583 -10.038 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.534 -12.088 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.020 -12.868 0.428 1.00 0.00 H new ATOM 697 N GLU A 45 -1.523 -10.426 0.897 1.00 0.00 N ATOM 698 CA GLU A 45 -2.909 -10.702 1.261 1.00 0.00 C ATOM 699 C GLU A 45 -3.637 -11.415 0.126 1.00 0.00 C ATOM 700 O GLU A 45 -4.219 -12.485 0.311 1.00 0.00 O ATOM 701 CB GLU A 45 -3.624 -9.382 1.576 1.00 0.00 C ATOM 702 CG GLU A 45 -5.108 -9.521 1.884 1.00 0.00 C ATOM 703 CD GLU A 45 -5.380 -9.933 3.316 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.370 -11.143 3.610 1.00 0.00 O ATOM 705 OE2 GLU A 45 -5.617 -9.039 4.156 1.00 0.00 O ATOM 0 H GLU A 45 -1.288 -9.434 0.900 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.916 -11.350 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.132 -8.912 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.504 -8.708 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.605 -8.572 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.546 -10.258 1.211 1.00 0.00 H new ATOM 712 N ARG A 46 -3.587 -10.811 -1.053 1.00 0.00 N ATOM 713 CA ARG A 46 -4.340 -11.295 -2.196 1.00 0.00 C ATOM 714 C ARG A 46 -3.656 -12.493 -2.845 1.00 0.00 C ATOM 715 O ARG A 46 -4.273 -13.534 -3.049 1.00 0.00 O ATOM 716 CB ARG A 46 -4.498 -10.170 -3.220 1.00 0.00 C ATOM 717 CG ARG A 46 -5.621 -10.396 -4.219 1.00 0.00 C ATOM 718 CD ARG A 46 -6.971 -10.443 -3.522 1.00 0.00 C ATOM 719 NE ARG A 46 -8.088 -10.404 -4.466 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.335 -10.084 -4.117 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.623 -9.835 -2.846 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.297 -10.023 -5.029 1.00 0.00 N ATOM 0 H ARG A 46 -3.028 -9.979 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.321 -11.616 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.679 -9.234 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.560 -10.053 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.619 -9.597 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.452 -11.330 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.036 -11.352 -2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.051 -9.602 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.903 -10.634 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.891 -9.888 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.576 -9.590 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.086 -10.222 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.247 -9.777 -4.752 1.00 0.00 H new ATOM 736 N TYR A 47 -2.378 -12.342 -3.160 1.00 0.00 N ATOM 737 CA TYR A 47 -1.656 -13.367 -3.901 1.00 0.00 C ATOM 738 C TYR A 47 -0.846 -14.253 -2.970 1.00 0.00 C ATOM 739 O TYR A 47 -1.157 -15.427 -2.785 1.00 0.00 O ATOM 740 CB TYR A 47 -0.728 -12.724 -4.930 1.00 0.00 C ATOM 741 CG TYR A 47 -1.424 -11.748 -5.846 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.057 -12.181 -7.003 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.460 -10.392 -5.544 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.703 -11.291 -7.835 1.00 0.00 C ATOM 745 CE2 TYR A 47 -2.108 -9.497 -6.368 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.728 -9.950 -7.512 1.00 0.00 C ATOM 747 OH TYR A 47 -3.385 -9.062 -8.328 1.00 0.00 O ATOM 0 H TYR A 47 -1.821 -11.523 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.393 -13.986 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.077 -12.208 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.267 -13.508 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.043 -13.231 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.972 -10.034 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.187 -11.642 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.130 -8.446 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.197 -9.278 -9.265 1.00 0.00 H new ATOM 757 N GLY A 48 0.192 -13.682 -2.387 1.00 0.00 N ATOM 758 CA GLY A 48 1.070 -14.455 -1.544 1.00 0.00 C ATOM 759 C GLY A 48 2.372 -14.791 -2.240 1.00 0.00 C ATOM 760 O GLY A 48 2.665 -15.958 -2.507 1.00 0.00 O ATOM 0 H GLY A 48 0.442 -12.698 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.280 -13.898 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.569 -15.376 -1.247 1.00 0.00 H new ATOM 764 N TRP A 49 3.147 -13.765 -2.547 1.00 0.00 N ATOM 765 CA TRP A 49 4.457 -13.941 -3.155 1.00 0.00 C ATOM 766 C TRP A 49 5.517 -13.925 -2.063 1.00 0.00 C ATOM 767 O TRP A 49 5.200 -14.025 -0.879 1.00 0.00 O ATOM 768 CB TRP A 49 4.758 -12.817 -4.157 1.00 0.00 C ATOM 769 CG TRP A 49 3.715 -12.618 -5.217 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.008 -13.583 -5.869 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.289 -11.368 -5.767 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.148 -13.006 -6.775 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.306 -11.647 -6.734 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.636 -10.039 -5.529 1.00 0.00 C ATOM 775 CZ2 TRP A 49 1.673 -10.644 -7.464 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.009 -9.047 -6.254 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.036 -9.354 -7.210 1.00 0.00 C ATOM 0 H TRP A 49 2.889 -12.792 -2.384 1.00 0.00 H new ATOM 0 HA TRP A 49 4.466 -14.892 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.879 -11.883 -3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.711 -13.028 -4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.108 -14.645 -5.700 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.498 -13.509 -7.379 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.383 -9.790 -4.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.922 -10.879 -8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.274 -8.015 -6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.562 -8.553 -7.759 1.00 0.00 H new ATOM 788 N SER A 50 6.772 -13.840 -2.459 1.00 0.00 N ATOM 789 CA SER A 50 7.825 -13.516 -1.519 1.00 0.00 C ATOM 790 C SER A 50 7.713 -12.036 -1.174 1.00 0.00 C ATOM 791 O SER A 50 7.350 -11.231 -2.034 1.00 0.00 O ATOM 792 CB SER A 50 9.198 -13.822 -2.125 1.00 0.00 C ATOM 793 OG SER A 50 10.248 -13.420 -1.258 1.00 0.00 O ATOM 0 H SER A 50 7.085 -13.990 -3.418 1.00 0.00 H new ATOM 0 HA SER A 50 7.719 -14.119 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.279 -14.890 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.298 -13.309 -3.082 1.00 0.00 H new ATOM 0 HG SER A 50 11.112 -13.630 -1.671 1.00 0.00 H new ATOM 799 N LYS A 51 8.001 -11.672 0.069 1.00 0.00 N ATOM 800 CA LYS A 51 7.930 -10.274 0.475 1.00 0.00 C ATOM 801 C LYS A 51 8.870 -9.428 -0.379 1.00 0.00 C ATOM 802 O LYS A 51 8.541 -8.304 -0.756 1.00 0.00 O ATOM 803 CB LYS A 51 8.257 -10.114 1.961 1.00 0.00 C ATOM 804 CG LYS A 51 8.190 -8.673 2.442 1.00 0.00 C ATOM 805 CD LYS A 51 8.203 -8.586 3.958 1.00 0.00 C ATOM 806 CE LYS A 51 8.217 -7.143 4.427 1.00 0.00 C ATOM 807 NZ LYS A 51 7.981 -7.035 5.889 1.00 0.00 N ATOM 0 H LYS A 51 8.283 -12.317 0.807 1.00 0.00 H new ATOM 0 HA LYS A 51 6.909 -9.925 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.562 -10.717 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.256 -10.506 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.035 -8.115 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.285 -8.203 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.326 -9.093 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.079 -9.106 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.177 -6.690 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.452 -6.580 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.998 -6.034 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.054 -7.444 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.726 -7.551 6.400 1.00 0.00 H new ATOM 821 N GLU A 52 10.024 -9.995 -0.712 1.00 0.00 N ATOM 822 CA GLU A 52 10.976 -9.335 -1.595 1.00 0.00 C ATOM 823 C GLU A 52 10.354 -9.119 -2.968 1.00 0.00 C ATOM 824 O GLU A 52 10.519 -8.066 -3.581 1.00 0.00 O ATOM 825 CB GLU A 52 12.247 -10.173 -1.738 1.00 0.00 C ATOM 826 CG GLU A 52 12.965 -10.437 -0.423 1.00 0.00 C ATOM 827 CD GLU A 52 14.226 -11.256 -0.607 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.126 -12.501 -0.689 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.320 -10.663 -0.687 1.00 0.00 O ATOM 0 H GLU A 52 10.323 -10.913 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 52 11.235 -8.370 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.991 -11.127 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.931 -9.664 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.218 -9.486 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.292 -10.959 0.257 1.00 0.00 H new ATOM 836 N ARG A 53 9.621 -10.126 -3.431 1.00 0.00 N ATOM 837 CA ARG A 53 8.967 -10.079 -4.734 1.00 0.00 C ATOM 838 C ARG A 53 7.890 -9.005 -4.749 1.00 0.00 C ATOM 839 O ARG A 53 7.779 -8.242 -5.708 1.00 0.00 O ATOM 840 CB ARG A 53 8.360 -11.444 -5.066 1.00 0.00 C ATOM 841 CG ARG A 53 7.683 -11.513 -6.427 1.00 0.00 C ATOM 842 CD ARG A 53 7.387 -12.951 -6.816 1.00 0.00 C ATOM 843 NE ARG A 53 8.551 -13.812 -6.612 1.00 0.00 N ATOM 844 CZ ARG A 53 8.479 -15.118 -6.371 1.00 0.00 C ATOM 845 NH1 ARG A 53 7.312 -15.742 -6.402 1.00 0.00 N ATOM 846 NH2 ARG A 53 9.587 -15.803 -6.124 1.00 0.00 N ATOM 0 H ARG A 53 9.464 -10.993 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 53 9.712 -9.831 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.146 -12.198 -5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.632 -11.702 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.756 -10.940 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.324 -11.054 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.550 -13.324 -6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.083 -12.991 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 53 9.476 -13.384 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.461 -15.221 -6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.264 -16.744 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.490 -15.328 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.537 -16.805 -5.939 1.00 0.00 H new ATOM 860 N ALA A 54 7.109 -8.947 -3.675 1.00 0.00 N ATOM 861 CA ALA A 54 6.065 -7.942 -3.533 1.00 0.00 C ATOM 862 C ALA A 54 6.664 -6.541 -3.576 1.00 0.00 C ATOM 863 O ALA A 54 6.193 -5.678 -4.316 1.00 0.00 O ATOM 864 CB ALA A 54 5.301 -8.162 -2.235 1.00 0.00 C ATOM 0 H ALA A 54 7.182 -9.590 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 54 5.368 -8.039 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.523 -7.405 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.845 -9.152 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.987 -8.086 -1.392 1.00 0.00 H new ATOM 870 N GLU A 55 7.722 -6.330 -2.799 1.00 0.00 N ATOM 871 CA GLU A 55 8.417 -5.046 -2.782 1.00 0.00 C ATOM 872 C GLU A 55 8.982 -4.712 -4.160 1.00 0.00 C ATOM 873 O GLU A 55 8.840 -3.590 -4.643 1.00 0.00 O ATOM 874 CB GLU A 55 9.539 -5.049 -1.745 1.00 0.00 C ATOM 875 CG GLU A 55 9.045 -5.151 -0.310 1.00 0.00 C ATOM 876 CD GLU A 55 10.147 -4.929 0.704 1.00 0.00 C ATOM 877 OE1 GLU A 55 10.468 -3.754 0.989 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.696 -5.917 1.225 1.00 0.00 O ATOM 0 H GLU A 55 8.117 -7.031 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 55 7.691 -4.280 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.209 -5.884 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.125 -4.136 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.255 -4.417 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.603 -6.135 -0.151 1.00 0.00 H new ATOM 885 N GLN A 56 9.610 -5.694 -4.792 1.00 0.00 N ATOM 886 CA GLN A 56 10.176 -5.510 -6.126 1.00 0.00 C ATOM 887 C GLN A 56 9.100 -5.169 -7.150 1.00 0.00 C ATOM 888 O GLN A 56 9.355 -4.418 -8.090 1.00 0.00 O ATOM 889 CB GLN A 56 10.947 -6.753 -6.568 1.00 0.00 C ATOM 890 CG GLN A 56 12.306 -6.893 -5.903 1.00 0.00 C ATOM 891 CD GLN A 56 13.290 -5.817 -6.327 1.00 0.00 C ATOM 892 OE1 GLN A 56 12.911 -4.693 -6.657 1.00 0.00 O ATOM 893 NE2 GLN A 56 14.566 -6.156 -6.320 1.00 0.00 N ATOM 0 H GLN A 56 9.742 -6.628 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 56 10.868 -4.669 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.351 -7.638 -6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.082 -6.721 -7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.180 -6.856 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.722 -7.872 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.842 -7.097 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.276 -5.477 -6.594 1.00 0.00 H new ATOM 902 N GLU A 57 7.904 -5.714 -6.971 1.00 0.00 N ATOM 903 CA GLU A 57 6.783 -5.381 -7.841 1.00 0.00 C ATOM 904 C GLU A 57 6.397 -3.922 -7.671 1.00 0.00 C ATOM 905 O GLU A 57 6.104 -3.229 -8.644 1.00 0.00 O ATOM 906 CB GLU A 57 5.583 -6.282 -7.554 1.00 0.00 C ATOM 907 CG GLU A 57 5.692 -7.652 -8.195 1.00 0.00 C ATOM 908 CD GLU A 57 5.854 -7.564 -9.697 1.00 0.00 C ATOM 909 OE1 GLU A 57 4.855 -7.275 -10.392 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.983 -7.774 -10.190 1.00 0.00 O ATOM 0 H GLU A 57 7.685 -6.385 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 57 7.094 -5.545 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.477 -6.401 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.677 -5.793 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.542 -8.185 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.801 -8.234 -7.960 1.00 0.00 H new ATOM 917 N VAL A 58 6.415 -3.453 -6.433 1.00 0.00 N ATOM 918 CA VAL A 58 6.132 -2.057 -6.148 1.00 0.00 C ATOM 919 C VAL A 58 7.209 -1.165 -6.758 1.00 0.00 C ATOM 920 O VAL A 58 6.914 -0.119 -7.338 1.00 0.00 O ATOM 921 CB VAL A 58 6.048 -1.792 -4.632 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.684 -0.344 -4.364 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.048 -2.727 -3.975 1.00 0.00 C ATOM 0 H VAL A 58 6.623 -4.019 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 58 5.164 -1.823 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 58 7.029 -1.986 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.629 -0.176 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.444 0.308 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.717 -0.122 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.006 -2.521 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.062 -2.572 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.357 -3.760 -4.134 1.00 0.00 H new ATOM 933 N ARG A 59 8.458 -1.593 -6.628 1.00 0.00 N ATOM 934 CA ARG A 59 9.584 -0.865 -7.197 1.00 0.00 C ATOM 935 C ARG A 59 9.507 -0.856 -8.719 1.00 0.00 C ATOM 936 O ARG A 59 9.767 0.165 -9.354 1.00 0.00 O ATOM 937 CB ARG A 59 10.906 -1.477 -6.733 1.00 0.00 C ATOM 938 CG ARG A 59 11.153 -1.312 -5.243 1.00 0.00 C ATOM 939 CD ARG A 59 12.479 -1.927 -4.819 1.00 0.00 C ATOM 940 NE ARG A 59 13.598 -1.410 -5.606 1.00 0.00 N ATOM 941 CZ ARG A 59 14.285 -0.308 -5.304 1.00 0.00 C ATOM 942 NH1 ARG A 59 13.964 0.422 -4.241 1.00 0.00 N ATOM 943 NH2 ARG A 59 15.298 0.063 -6.071 1.00 0.00 N ATOM 0 H ARG A 59 8.717 -2.445 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 59 9.537 0.166 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.914 -2.539 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.726 -1.015 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.146 -0.252 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.341 -1.779 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.653 -1.722 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.428 -3.010 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 59 13.871 -1.927 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.185 0.141 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.497 1.263 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.549 -0.493 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.827 0.905 -5.845 1.00 0.00 H new ATOM 957 N ASP A 60 9.138 -1.996 -9.291 1.00 0.00 N ATOM 958 CA ASP A 60 8.925 -2.111 -10.732 1.00 0.00 C ATOM 959 C ASP A 60 7.830 -1.155 -11.183 1.00 0.00 C ATOM 960 O ASP A 60 7.973 -0.453 -12.185 1.00 0.00 O ATOM 961 CB ASP A 60 8.542 -3.548 -11.096 1.00 0.00 C ATOM 962 CG ASP A 60 8.129 -3.698 -12.548 1.00 0.00 C ATOM 963 OD1 ASP A 60 9.018 -3.779 -13.419 1.00 0.00 O ATOM 964 OD2 ASP A 60 6.910 -3.739 -12.825 1.00 0.00 O ATOM 0 H ASP A 60 8.979 -2.862 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 60 9.853 -1.850 -11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.387 -4.206 -10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.723 -3.874 -10.455 1.00 0.00 H new ATOM 969 N PHE A 61 6.739 -1.132 -10.430 1.00 0.00 N ATOM 970 CA PHE A 61 5.619 -0.249 -10.716 1.00 0.00 C ATOM 971 C PHE A 61 6.045 1.216 -10.623 1.00 0.00 C ATOM 972 O PHE A 61 5.804 1.997 -11.541 1.00 0.00 O ATOM 973 CB PHE A 61 4.470 -0.541 -9.744 1.00 0.00 C ATOM 974 CG PHE A 61 3.228 0.265 -9.997 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.545 0.154 -11.196 1.00 0.00 C ATOM 976 CD2 PHE A 61 2.747 1.134 -9.034 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.403 0.896 -11.426 1.00 0.00 C ATOM 978 CE2 PHE A 61 1.608 1.877 -9.259 1.00 0.00 C ATOM 979 CZ PHE A 61 0.934 1.760 -10.456 1.00 0.00 C ATOM 0 H PHE A 61 6.606 -1.722 -9.608 1.00 0.00 H new ATOM 0 HA PHE A 61 5.277 -0.433 -11.735 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.220 -1.600 -9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.812 -0.350 -8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.908 -0.519 -11.959 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.270 1.231 -8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.877 0.801 -12.364 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.244 2.551 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.042 2.342 -10.635 1.00 0.00 H new ATOM 989 N SER A 62 6.707 1.568 -9.526 1.00 0.00 N ATOM 990 CA SER A 62 7.142 2.942 -9.288 1.00 0.00 C ATOM 991 C SER A 62 8.147 3.407 -10.346 1.00 0.00 C ATOM 992 O SER A 62 8.097 4.548 -10.808 1.00 0.00 O ATOM 993 CB SER A 62 7.770 3.057 -7.896 1.00 0.00 C ATOM 994 OG SER A 62 6.874 2.611 -6.890 1.00 0.00 O ATOM 0 H SER A 62 6.956 0.916 -8.782 1.00 0.00 H new ATOM 0 HA SER A 62 6.264 3.584 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.686 2.468 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.049 4.093 -7.705 1.00 0.00 H new ATOM 0 HG SER A 62 6.790 1.636 -6.936 1.00 0.00 H new ATOM 1000 N ASP A 63 9.054 2.520 -10.727 1.00 0.00 N ATOM 1001 CA ASP A 63 10.101 2.855 -11.687 1.00 0.00 C ATOM 1002 C ASP A 63 9.541 2.992 -13.101 1.00 0.00 C ATOM 1003 O ASP A 63 10.075 3.741 -13.921 1.00 0.00 O ATOM 1004 CB ASP A 63 11.199 1.793 -11.650 1.00 0.00 C ATOM 1005 CG ASP A 63 12.249 1.997 -12.721 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.976 3.013 -12.667 1.00 0.00 O ATOM 1007 OD2 ASP A 63 12.359 1.134 -13.618 1.00 0.00 O ATOM 0 H ASP A 63 9.088 1.559 -10.386 1.00 0.00 H new ATOM 0 HA ASP A 63 10.523 3.820 -11.405 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.678 1.806 -10.671 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.749 0.808 -11.772 1.00 0.00 H new ATOM 1012 N ARG A 64 8.455 2.289 -13.377 1.00 0.00 N ATOM 1013 CA ARG A 64 7.856 2.310 -14.706 1.00 0.00 C ATOM 1014 C ARG A 64 6.848 3.453 -14.823 1.00 0.00 C ATOM 1015 O ARG A 64 6.088 3.535 -15.789 1.00 0.00 O ATOM 1016 CB ARG A 64 7.192 0.962 -15.004 1.00 0.00 C ATOM 1017 CG ARG A 64 7.028 0.672 -16.489 1.00 0.00 C ATOM 1018 CD ARG A 64 6.557 -0.755 -16.722 1.00 0.00 C ATOM 1019 NE ARG A 64 6.504 -1.108 -18.140 1.00 0.00 N ATOM 1020 CZ ARG A 64 6.930 -2.276 -18.624 1.00 0.00 C ATOM 1021 NH1 ARG A 64 7.546 -3.141 -17.826 1.00 0.00 N ATOM 1022 NH2 ARG A 64 6.781 -2.566 -19.908 1.00 0.00 N ATOM 0 H ARG A 64 7.970 1.698 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 64 8.641 2.479 -15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.786 0.168 -14.552 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.212 0.938 -14.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.311 1.370 -16.921 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.977 0.833 -17.001 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.226 -1.443 -16.205 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.568 -0.883 -16.283 1.00 0.00 H new ATOM 0 HE ARG A 64 6.121 -0.425 -18.794 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.693 -2.912 -16.843 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.872 -4.034 -18.196 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.338 -1.894 -20.535 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.109 -3.461 -20.270 1.00 0.00 H new ATOM 1036 N LEU A 65 6.849 4.337 -13.834 1.00 0.00 N ATOM 1037 CA LEU A 65 5.998 5.513 -13.863 1.00 0.00 C ATOM 1038 C LEU A 65 6.779 6.703 -14.405 1.00 0.00 C ATOM 1039 O LEU A 65 6.561 7.073 -15.577 1.00 0.00 O ATOM 1040 CB LEU A 65 5.461 5.833 -12.466 1.00 0.00 C ATOM 1041 CG LEU A 65 4.576 4.753 -11.838 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.160 5.159 -10.432 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.352 4.493 -12.706 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.632 7.238 -13.668 1.00 0.00 O ATOM 0 H LEU A 65 7.432 4.259 -13.001 1.00 0.00 H new ATOM 0 HA LEU A 65 5.150 5.309 -14.517 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.307 6.016 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.891 6.761 -12.518 1.00 0.00 H new ATOM 0 HG LEU A 65 5.151 3.829 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.531 4.381 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.048 5.293 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.602 6.095 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.735 3.723 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.773 5.411 -12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.671 4.159 -13.693 1.00 0.00 H new TER 1056 LEU A 65