USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= -35.1! C(o=-1.1e+02!,f=-1.1e+02!) USER MOD Set 1.2: A 35 ASN : amide:sc= -32.9! C(o=-1.1e+02!,f=-1.2e+02!) USER MOD Set 1.3: A 38 HIS : no HE2:sc= -43! C(o=-1.1e+02!,f=-1.1e+02!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 41:sc= 0.473 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 61:sc= 0.847 USER MOD Single : A 16 TYR OH : rot 90:sc= -8.28! USER MOD Single : A 21 SER OG : rot -168:sc= 0.125 USER MOD Single : A 22 THR OG1 : rot 12:sc= 0.952 USER MOD Single : A 24 SER OG : rot -169:sc= -1.15! USER MOD Single : A 26 MET CE :methyl 178:sc= -9.17! (180deg=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0336 (180deg=-0.511) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -7.28! (180deg=-10.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -34.4! (180deg=-35!) USER MOD Single : A 44 ASN : amide:sc= -31.2! C(o=-31!,f=-30!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 80:sc= 0.293 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -178:sc= -6.24! USER MOD Single : A 63 HIS : no HE2:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.08! C(o=-5.1!,f=-4.5!) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -5.46! (180deg=-6.49!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -42.1! C(o=-42!,f=-54!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0637 K(o=-0.064,f=-0.72!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.44) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -68:sc= -0.524! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -6.71! C(o=-6.7!,f=-2.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -134:sc= -0.137 (180deg=-1.11) USER MOD Single : A 117 HIS : no HE2:sc= -3.72! K(o=-3.7!,f=-1.1) USER MOD Single : A 118 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-1.6!) USER MOD Single : A 119 HIS : no HE2:sc= -3.17! C(o=-3.2!,f=-8.9!) USER MOD Single : A 121 SER OG : rot -59:sc= 1.13 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -3.445 -2.749 8.366 1.00 1.00 N ATOM 27 CA GLN A 4 -2.378 -1.884 7.789 1.00 1.00 C ATOM 28 C GLN A 4 -2.646 -1.603 6.308 1.00 1.00 C ATOM 29 O GLN A 4 -3.260 -2.390 5.616 1.00 1.00 O ATOM 30 CB GLN A 4 -1.091 -2.688 7.947 1.00 1.00 C ATOM 31 CG GLN A 4 -0.714 -2.767 9.428 1.00 1.00 C ATOM 32 CD GLN A 4 0.763 -2.408 9.600 1.00 1.00 C ATOM 33 OE1 GLN A 4 1.094 -1.457 10.280 1.00 1.00 O ATOM 34 NE2 GLN A 4 1.672 -3.133 9.007 1.00 1.00 N ATOM 0 HA GLN A 4 -2.328 -0.916 8.288 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -1.225 -3.691 7.541 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.286 -2.220 7.381 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -1.335 -2.085 10.009 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.902 -3.771 9.809 1.00 1.00 H new ATOM 0 HE21 GLN A 4 1.395 -3.932 8.436 1.00 1.00 H new ATOM 0 HE22 GLN A 4 2.659 -2.901 9.115 1.00 1.00 H new ATOM 43 N ILE A 5 -2.178 -0.488 5.820 1.00 1.00 N ATOM 44 CA ILE A 5 -2.390 -0.151 4.384 1.00 1.00 C ATOM 45 C ILE A 5 -1.039 -0.082 3.666 1.00 1.00 C ATOM 46 O ILE A 5 -0.119 0.570 4.118 1.00 1.00 O ATOM 47 CB ILE A 5 -3.068 1.219 4.399 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.386 1.120 5.169 1.00 1.00 C ATOM 49 CG2 ILE A 5 -3.348 1.669 2.965 1.00 1.00 C ATOM 50 CD1 ILE A 5 -4.219 1.758 6.550 1.00 1.00 C ATOM 0 H ILE A 5 -1.656 0.206 6.355 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.993 -0.893 3.860 1.00 1.00 H new ATOM 0 HB ILE A 5 -2.414 1.944 4.883 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -5.180 1.623 4.618 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.682 0.076 5.272 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.831 2.646 2.978 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -2.409 1.736 2.415 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -4.003 0.947 2.478 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -5.158 1.688 7.099 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -3.437 1.235 7.100 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -3.943 2.806 6.436 1.00 1.00 H new ATOM 62 N TYR A 6 -0.907 -0.757 2.557 1.00 1.00 N ATOM 63 CA TYR A 6 0.387 -0.734 1.823 1.00 1.00 C ATOM 64 C TYR A 6 0.180 -0.246 0.389 1.00 1.00 C ATOM 65 O TYR A 6 -0.769 -0.618 -0.274 1.00 1.00 O ATOM 66 CB TYR A 6 0.865 -2.187 1.829 1.00 1.00 C ATOM 67 CG TYR A 6 -0.055 -3.015 2.694 1.00 1.00 C ATOM 68 CD1 TYR A 6 -0.302 -2.635 4.019 1.00 1.00 C ATOM 69 CD2 TYR A 6 -0.662 -4.163 2.170 1.00 1.00 C ATOM 70 CE1 TYR A 6 -1.155 -3.403 4.820 1.00 1.00 C ATOM 71 CE2 TYR A 6 -1.516 -4.931 2.973 1.00 1.00 C ATOM 72 CZ TYR A 6 -1.762 -4.551 4.297 1.00 1.00 C ATOM 73 OH TYR A 6 -2.603 -5.307 5.087 1.00 1.00 O ATOM 0 H TYR A 6 -1.640 -1.323 2.129 1.00 1.00 H new ATOM 0 HA TYR A 6 1.110 -0.060 2.283 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.879 -2.581 0.813 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.886 -2.244 2.207 1.00 1.00 H new ATOM 0 HD1 TYR A 6 0.166 -1.749 4.423 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -0.472 -4.456 1.148 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -1.345 -3.110 5.842 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -1.984 -5.817 2.570 1.00 1.00 H new ATOM 0 HH TYR A 6 -3.174 -4.714 5.619 1.00 1.00 H new ATOM 83 N SER A 7 1.062 0.580 -0.097 1.00 1.00 N ATOM 84 CA SER A 7 0.915 1.085 -1.490 1.00 1.00 C ATOM 85 C SER A 7 1.760 0.242 -2.447 1.00 1.00 C ATOM 86 O SER A 7 2.780 -0.305 -2.077 1.00 1.00 O ATOM 87 CB SER A 7 1.422 2.526 -1.454 1.00 1.00 C ATOM 88 OG SER A 7 1.061 3.121 -0.215 1.00 1.00 O ATOM 0 H SER A 7 1.877 0.927 0.408 1.00 1.00 H new ATOM 0 HA SER A 7 -0.116 1.030 -1.840 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.505 2.546 -1.578 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.996 3.094 -2.281 1.00 1.00 H new ATOM 0 HG SER A 7 1.387 4.045 -0.189 1.00 1.00 H new ATOM 94 N ALA A 8 1.340 0.137 -3.674 1.00 1.00 N ATOM 95 CA ALA A 8 2.110 -0.666 -4.668 1.00 1.00 C ATOM 96 C ALA A 8 1.913 -0.093 -6.075 1.00 1.00 C ATOM 97 O ALA A 8 0.958 0.610 -6.340 1.00 1.00 O ATOM 98 CB ALA A 8 1.524 -2.076 -4.576 1.00 1.00 C ATOM 0 H ALA A 8 0.492 0.574 -4.036 1.00 1.00 H new ATOM 0 HA ALA A 8 3.181 -0.656 -4.468 1.00 1.00 H new ATOM 0 HB1 ALA A 8 2.039 -2.731 -5.279 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.653 -2.458 -3.563 1.00 1.00 H new ATOM 0 HB3 ALA A 8 0.462 -2.045 -4.820 1.00 1.00 H new ATOM 104 N ARG A 9 2.809 -0.387 -6.978 1.00 1.00 N ATOM 105 CA ARG A 9 2.670 0.141 -8.366 1.00 1.00 C ATOM 106 C ARG A 9 2.556 -1.016 -9.363 1.00 1.00 C ATOM 107 O ARG A 9 3.481 -1.781 -9.547 1.00 1.00 O ATOM 108 CB ARG A 9 3.949 0.941 -8.616 1.00 1.00 C ATOM 109 CG ARG A 9 4.716 0.324 -9.787 1.00 1.00 C ATOM 110 CD ARG A 9 4.127 0.831 -11.107 1.00 1.00 C ATOM 111 NE ARG A 9 5.296 0.971 -12.019 1.00 1.00 N ATOM 112 CZ ARG A 9 5.388 2.009 -12.805 1.00 1.00 C ATOM 113 NH1 ARG A 9 4.460 2.926 -12.787 1.00 1.00 N ATOM 114 NH2 ARG A 9 6.411 2.132 -13.607 1.00 1.00 N ATOM 0 H ARG A 9 3.630 -0.969 -6.815 1.00 1.00 H new ATOM 0 HA ARG A 9 1.777 0.754 -8.487 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.704 1.980 -8.835 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.571 0.942 -7.721 1.00 1.00 H new ATOM 0 HG2 ARG A 9 5.772 0.587 -9.723 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.655 -0.763 -9.743 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.395 0.130 -11.508 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.615 1.784 -10.971 1.00 1.00 H new ATOM 0 HE ARG A 9 6.024 0.257 -12.029 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.662 2.832 -12.158 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.532 3.737 -13.401 1.00 1.00 H new ATOM 0 HH21 ARG A 9 7.138 1.417 -13.619 1.00 1.00 H new ATOM 0 HH22 ARG A 9 6.483 2.943 -14.221 1.00 1.00 H new ATOM 127 N TYR A 10 1.427 -1.153 -10.007 1.00 1.00 N ATOM 128 CA TYR A 10 1.261 -2.266 -10.986 1.00 1.00 C ATOM 129 C TYR A 10 0.397 -1.816 -12.171 1.00 1.00 C ATOM 130 O TYR A 10 -0.403 -0.908 -12.060 1.00 1.00 O ATOM 131 CB TYR A 10 0.557 -3.377 -10.205 1.00 1.00 C ATOM 132 CG TYR A 10 1.585 -4.340 -9.662 1.00 1.00 C ATOM 133 CD1 TYR A 10 2.301 -4.020 -8.503 1.00 1.00 C ATOM 134 CD2 TYR A 10 1.822 -5.554 -10.318 1.00 1.00 C ATOM 135 CE1 TYR A 10 3.255 -4.914 -7.999 1.00 1.00 C ATOM 136 CE2 TYR A 10 2.775 -6.448 -9.815 1.00 1.00 C ATOM 137 CZ TYR A 10 3.492 -6.127 -8.655 1.00 1.00 C ATOM 138 OH TYR A 10 4.431 -7.008 -8.159 1.00 1.00 O ATOM 0 H TYR A 10 0.616 -0.545 -9.898 1.00 1.00 H new ATOM 0 HA TYR A 10 2.215 -2.594 -11.399 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.024 -2.950 -9.388 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.144 -3.904 -10.853 1.00 1.00 H new ATOM 0 HD1 TYR A 10 2.118 -3.084 -7.997 1.00 1.00 H new ATOM 0 HD2 TYR A 10 1.269 -5.801 -11.212 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.807 -4.667 -7.104 1.00 1.00 H new ATOM 0 HE2 TYR A 10 2.957 -7.385 -10.321 1.00 1.00 H new ATOM 0 HH TYR A 10 4.470 -7.802 -8.733 1.00 1.00 H new ATOM 148 N SER A 11 0.552 -2.452 -13.300 1.00 1.00 N ATOM 149 CA SER A 11 -0.261 -2.075 -14.494 1.00 1.00 C ATOM 150 C SER A 11 -0.090 -0.589 -14.821 1.00 1.00 C ATOM 151 O SER A 11 -1.023 0.075 -15.226 1.00 1.00 O ATOM 152 CB SER A 11 -1.706 -2.372 -14.097 1.00 1.00 C ATOM 153 OG SER A 11 -2.381 -1.149 -13.838 1.00 1.00 O ATOM 0 H SER A 11 1.208 -3.219 -13.449 1.00 1.00 H new ATOM 0 HA SER A 11 0.044 -2.626 -15.384 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.210 -2.917 -14.895 1.00 1.00 H new ATOM 0 HB3 SER A 11 -1.729 -3.008 -13.212 1.00 1.00 H new ATOM 0 HG SER A 11 -2.377 -0.595 -14.647 1.00 1.00 H new ATOM 159 N GLY A 12 1.091 -0.060 -14.658 1.00 1.00 N ATOM 160 CA GLY A 12 1.308 1.381 -14.969 1.00 1.00 C ATOM 161 C GLY A 12 0.625 2.244 -13.909 1.00 1.00 C ATOM 162 O GLY A 12 0.845 3.436 -13.828 1.00 1.00 O ATOM 0 H GLY A 12 1.914 -0.562 -14.324 1.00 1.00 H new ATOM 0 HA2 GLY A 12 2.375 1.600 -14.998 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.908 1.615 -15.956 1.00 1.00 H new ATOM 166 N VAL A 13 -0.201 1.650 -13.092 1.00 1.00 N ATOM 167 CA VAL A 13 -0.898 2.435 -12.034 1.00 1.00 C ATOM 168 C VAL A 13 -0.652 1.797 -10.665 1.00 1.00 C ATOM 169 O VAL A 13 -0.716 0.593 -10.511 1.00 1.00 O ATOM 170 CB VAL A 13 -2.380 2.367 -12.400 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.226 2.640 -11.155 1.00 1.00 C ATOM 172 CG2 VAL A 13 -2.690 3.420 -13.467 1.00 1.00 C ATOM 0 H VAL A 13 -0.423 0.655 -13.111 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.542 3.464 -11.977 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.613 1.375 -12.788 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.283 2.592 -11.416 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.005 1.892 -10.394 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -2.993 3.632 -10.767 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.747 3.372 -13.729 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.457 4.411 -13.078 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.087 3.227 -14.354 1.00 1.00 H new ATOM 182 N ASP A 14 -0.362 2.590 -9.671 1.00 1.00 N ATOM 183 CA ASP A 14 -0.103 2.020 -8.319 1.00 1.00 C ATOM 184 C ASP A 14 -1.422 1.718 -7.604 1.00 1.00 C ATOM 185 O ASP A 14 -2.470 2.214 -7.970 1.00 1.00 O ATOM 186 CB ASP A 14 0.674 3.105 -7.574 1.00 1.00 C ATOM 187 CG ASP A 14 0.824 4.334 -8.474 1.00 1.00 C ATOM 188 OD1 ASP A 14 1.791 4.384 -9.217 1.00 1.00 O ATOM 189 OD2 ASP A 14 -0.028 5.203 -8.404 1.00 1.00 O ATOM 0 H ASP A 14 -0.293 3.606 -9.736 1.00 1.00 H new ATOM 0 HA ASP A 14 0.450 1.082 -8.368 1.00 1.00 H new ATOM 0 HB2 ASP A 14 0.153 3.375 -6.656 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.656 2.731 -7.285 1.00 1.00 H new ATOM 194 N VAL A 15 -1.375 0.903 -6.587 1.00 1.00 N ATOM 195 CA VAL A 15 -2.617 0.556 -5.842 1.00 1.00 C ATOM 196 C VAL A 15 -2.287 0.317 -4.367 1.00 1.00 C ATOM 197 O VAL A 15 -1.144 0.386 -3.960 1.00 1.00 O ATOM 198 CB VAL A 15 -3.127 -0.729 -6.494 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.969 -0.379 -7.722 1.00 1.00 C ATOM 200 CG2 VAL A 15 -1.936 -1.589 -6.922 1.00 1.00 C ATOM 0 H VAL A 15 -0.525 0.460 -6.238 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.362 1.351 -5.881 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.738 -1.281 -5.780 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.333 -1.295 -8.187 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.817 0.235 -7.419 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.358 0.173 -8.437 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.298 -2.506 -7.387 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.326 -1.036 -7.636 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.335 -1.839 -6.048 1.00 1.00 H new ATOM 210 N TYR A 16 -3.272 0.025 -3.564 1.00 1.00 N ATOM 211 CA TYR A 16 -3.005 -0.230 -2.120 1.00 1.00 C ATOM 212 C TYR A 16 -3.509 -1.625 -1.749 1.00 1.00 C ATOM 213 O TYR A 16 -4.554 -2.054 -2.197 1.00 1.00 O ATOM 214 CB TYR A 16 -3.796 0.844 -1.372 1.00 1.00 C ATOM 215 CG TYR A 16 -5.148 0.294 -0.984 1.00 1.00 C ATOM 216 CD1 TYR A 16 -5.247 -0.983 -0.419 1.00 1.00 C ATOM 217 CD2 TYR A 16 -6.301 1.061 -1.188 1.00 1.00 C ATOM 218 CE1 TYR A 16 -6.500 -1.494 -0.060 1.00 1.00 C ATOM 219 CE2 TYR A 16 -7.553 0.550 -0.829 1.00 1.00 C ATOM 220 CZ TYR A 16 -7.654 -0.728 -0.265 1.00 1.00 C ATOM 221 OH TYR A 16 -8.888 -1.231 0.089 1.00 1.00 O ATOM 0 H TYR A 16 -4.250 -0.048 -3.845 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.944 -0.190 -1.875 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -3.251 1.159 -0.482 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.917 1.726 -2.001 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.357 -1.574 -0.260 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -6.224 2.047 -1.622 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -6.577 -2.479 0.375 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -8.443 1.142 -0.987 1.00 1.00 H new ATOM 0 HH TYR A 16 -9.087 -0.986 1.017 1.00 1.00 H new ATOM 231 N GLU A 17 -2.779 -2.342 -0.941 1.00 1.00 N ATOM 232 CA GLU A 17 -3.230 -3.711 -0.558 1.00 1.00 C ATOM 233 C GLU A 17 -3.411 -3.810 0.957 1.00 1.00 C ATOM 234 O GLU A 17 -2.518 -3.504 1.723 1.00 1.00 O ATOM 235 CB GLU A 17 -2.115 -4.645 -1.027 1.00 1.00 C ATOM 236 CG GLU A 17 -0.794 -3.876 -1.091 1.00 1.00 C ATOM 237 CD GLU A 17 0.358 -4.804 -0.704 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.093 -5.811 -0.068 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.486 -4.494 -1.051 1.00 1.00 O ATOM 0 H GLU A 17 -1.894 -2.043 -0.531 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.190 -3.965 -1.007 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -2.023 -5.490 -0.344 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.358 -5.053 -2.008 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.637 -3.485 -2.096 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.827 -3.020 -0.417 1.00 1.00 H new ATOM 246 N PHE A 18 -4.560 -4.243 1.395 1.00 1.00 N ATOM 247 CA PHE A 18 -4.805 -4.373 2.857 1.00 1.00 C ATOM 248 C PHE A 18 -5.469 -5.720 3.148 1.00 1.00 C ATOM 249 O PHE A 18 -6.344 -6.159 2.427 1.00 1.00 O ATOM 250 CB PHE A 18 -5.747 -3.220 3.205 1.00 1.00 C ATOM 251 CG PHE A 18 -5.322 -1.981 2.454 1.00 1.00 C ATOM 252 CD1 PHE A 18 -3.963 -1.723 2.241 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.287 -1.089 1.971 1.00 1.00 C ATOM 254 CE1 PHE A 18 -3.568 -0.575 1.545 1.00 1.00 C ATOM 255 CE2 PHE A 18 -5.893 0.059 1.274 1.00 1.00 C ATOM 256 CZ PHE A 18 -4.533 0.316 1.061 1.00 1.00 C ATOM 0 H PHE A 18 -5.343 -4.513 0.800 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.887 -4.332 3.443 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.772 -3.482 2.945 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -5.729 -3.032 4.279 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.218 -2.411 2.614 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.336 -1.287 2.136 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -2.519 -0.377 1.381 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -6.638 0.746 0.901 1.00 1.00 H new ATOM 0 HZ PHE A 18 -4.229 1.202 0.523 1.00 1.00 H new ATOM 266 N ILE A 19 -5.060 -6.384 4.192 1.00 1.00 N ATOM 267 CA ILE A 19 -5.669 -7.706 4.515 1.00 1.00 C ATOM 268 C ILE A 19 -7.028 -7.514 5.190 1.00 1.00 C ATOM 269 O ILE A 19 -7.178 -6.709 6.086 1.00 1.00 O ATOM 270 CB ILE A 19 -4.683 -8.375 5.472 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.699 -9.231 4.670 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.447 -9.264 6.455 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.849 -8.921 3.179 1.00 1.00 C ATOM 0 H ILE A 19 -4.333 -6.071 4.835 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.842 -8.308 3.623 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.137 -7.610 6.024 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.678 -9.029 4.993 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -3.888 -10.289 4.853 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.743 -9.741 7.137 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.150 -8.656 7.025 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.993 -10.030 5.904 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -3.148 -9.531 2.608 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -4.867 -9.145 2.861 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -3.638 -7.866 3.004 1.00 1.00 H new ATOM 285 N HIS A 20 -8.019 -8.248 4.766 1.00 1.00 N ATOM 286 CA HIS A 20 -9.368 -8.106 5.385 1.00 1.00 C ATOM 287 C HIS A 20 -10.121 -9.437 5.319 1.00 1.00 C ATOM 288 O HIS A 20 -9.540 -10.498 5.439 1.00 1.00 O ATOM 289 CB HIS A 20 -10.079 -7.044 4.546 1.00 1.00 C ATOM 290 CG HIS A 20 -11.214 -6.455 5.339 1.00 1.00 C ATOM 291 ND1 HIS A 20 -11.521 -6.884 6.620 1.00 1.00 N ATOM 292 CD2 HIS A 20 -12.123 -5.470 5.045 1.00 1.00 C ATOM 293 CE1 HIS A 20 -12.576 -6.166 7.046 1.00 1.00 C ATOM 294 NE2 HIS A 20 -12.983 -5.288 6.124 1.00 1.00 N ATOM 0 H HIS A 20 -7.954 -8.939 4.019 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.313 -7.824 6.436 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.377 -6.261 4.260 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.456 -7.486 3.624 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -11.036 -7.612 7.145 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -12.165 -4.919 4.117 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -13.038 -6.285 8.015 1.00 1.00 H new ATOM 302 N SER A 21 -11.409 -9.389 5.121 1.00 1.00 N ATOM 303 CA SER A 21 -12.196 -10.652 5.040 1.00 1.00 C ATOM 304 C SER A 21 -11.776 -11.449 3.803 1.00 1.00 C ATOM 305 O SER A 21 -11.783 -12.664 3.800 1.00 1.00 O ATOM 306 CB SER A 21 -13.653 -10.206 4.923 1.00 1.00 C ATOM 307 OG SER A 21 -14.373 -11.152 4.145 1.00 1.00 O ATOM 0 H SER A 21 -11.950 -8.531 5.012 1.00 1.00 H new ATOM 0 HA SER A 21 -12.039 -11.296 5.905 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.099 -10.118 5.914 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.708 -9.221 4.460 1.00 1.00 H new ATOM 0 HG SER A 21 -15.246 -10.779 3.902 1.00 1.00 H new ATOM 313 N THR A 22 -11.403 -10.770 2.753 1.00 1.00 N ATOM 314 CA THR A 22 -10.974 -11.481 1.516 1.00 1.00 C ATOM 315 C THR A 22 -9.453 -11.628 1.509 1.00 1.00 C ATOM 316 O THR A 22 -8.846 -11.881 0.488 1.00 1.00 O ATOM 317 CB THR A 22 -11.435 -10.589 0.363 1.00 1.00 C ATOM 318 OG1 THR A 22 -10.612 -10.823 -0.772 1.00 1.00 O ATOM 319 CG2 THR A 22 -11.330 -9.121 0.778 1.00 1.00 C ATOM 0 H THR A 22 -11.377 -9.752 2.699 1.00 1.00 H new ATOM 0 HA THR A 22 -11.396 -12.483 1.442 1.00 1.00 H new ATOM 0 HB THR A 22 -12.471 -10.820 0.115 1.00 1.00 H new ATOM 0 HG1 THR A 22 -10.073 -11.628 -0.625 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.659 -8.486 -0.045 1.00 1.00 H new ATOM 0 HG22 THR A 22 -11.961 -8.943 1.649 1.00 1.00 H new ATOM 0 HG23 THR A 22 -10.295 -8.886 1.026 1.00 1.00 H new ATOM 327 N GLY A 23 -8.831 -11.455 2.643 1.00 1.00 N ATOM 328 CA GLY A 23 -7.348 -11.568 2.703 1.00 1.00 C ATOM 329 C GLY A 23 -6.740 -10.178 2.520 1.00 1.00 C ATOM 330 O GLY A 23 -6.780 -9.354 3.410 1.00 1.00 O ATOM 0 H GLY A 23 -9.286 -11.240 3.530 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.040 -11.992 3.659 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.989 -12.242 1.925 1.00 1.00 H new ATOM 334 N SER A 24 -6.184 -9.909 1.369 1.00 1.00 N ATOM 335 CA SER A 24 -5.579 -8.567 1.127 1.00 1.00 C ATOM 336 C SER A 24 -6.530 -7.701 0.298 1.00 1.00 C ATOM 337 O SER A 24 -7.256 -8.190 -0.544 1.00 1.00 O ATOM 338 CB SER A 24 -4.294 -8.847 0.350 1.00 1.00 C ATOM 339 OG SER A 24 -4.509 -8.573 -1.028 1.00 1.00 O ATOM 0 H SER A 24 -6.123 -10.560 0.586 1.00 1.00 H new ATOM 0 HA SER A 24 -5.385 -8.027 2.054 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.482 -8.229 0.733 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.994 -9.886 0.483 1.00 1.00 H new ATOM 0 HG SER A 24 -3.750 -8.906 -1.550 1.00 1.00 H new ATOM 345 N ILE A 25 -6.529 -6.418 0.530 1.00 1.00 N ATOM 346 CA ILE A 25 -7.431 -5.521 -0.245 1.00 1.00 C ATOM 347 C ILE A 25 -6.606 -4.552 -1.094 1.00 1.00 C ATOM 348 O ILE A 25 -5.745 -3.853 -0.597 1.00 1.00 O ATOM 349 CB ILE A 25 -8.237 -4.759 0.807 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.888 -5.756 1.769 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.324 -3.932 0.119 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.010 -7.120 1.087 1.00 1.00 C ATOM 0 H ILE A 25 -5.943 -5.952 1.222 1.00 1.00 H new ATOM 0 HA ILE A 25 -8.076 -6.074 -0.928 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.574 -4.096 1.362 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -8.291 -5.844 2.677 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.873 -5.398 2.068 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.898 -3.389 0.870 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.862 -3.223 -0.567 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.988 -4.594 -0.437 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.474 -7.829 1.773 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.625 -7.026 0.192 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.019 -7.478 0.810 1.00 1.00 H new ATOM 364 N MET A 26 -6.856 -4.511 -2.373 1.00 1.00 N ATOM 365 CA MET A 26 -6.081 -3.595 -3.258 1.00 1.00 C ATOM 366 C MET A 26 -6.904 -2.344 -3.583 1.00 1.00 C ATOM 367 O MET A 26 -8.084 -2.275 -3.303 1.00 1.00 O ATOM 368 CB MET A 26 -5.812 -4.404 -4.527 1.00 1.00 C ATOM 369 CG MET A 26 -4.462 -3.996 -5.117 1.00 1.00 C ATOM 370 SD MET A 26 -3.901 -5.267 -6.277 1.00 1.00 S ATOM 371 CE MET A 26 -2.661 -4.263 -7.130 1.00 1.00 C ATOM 0 H MET A 26 -7.564 -5.073 -2.845 1.00 1.00 H new ATOM 0 HA MET A 26 -5.159 -3.253 -2.788 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.813 -5.470 -4.298 1.00 1.00 H new ATOM 0 HB3 MET A 26 -6.605 -4.233 -5.255 1.00 1.00 H new ATOM 0 HG2 MET A 26 -4.551 -3.037 -5.627 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.729 -3.867 -4.321 1.00 1.00 H new ATOM 0 HE1 MET A 26 -2.155 -4.870 -7.880 1.00 1.00 H new ATOM 0 HE2 MET A 26 -3.149 -3.418 -7.616 1.00 1.00 H new ATOM 0 HE3 MET A 26 -1.932 -3.895 -6.408 1.00 1.00 H new ATOM 381 N LYS A 27 -6.288 -1.356 -4.173 1.00 1.00 N ATOM 382 CA LYS A 27 -7.034 -0.110 -4.516 1.00 1.00 C ATOM 383 C LYS A 27 -6.428 0.547 -5.760 1.00 1.00 C ATOM 384 O LYS A 27 -5.242 0.459 -6.007 1.00 1.00 O ATOM 385 CB LYS A 27 -6.871 0.799 -3.298 1.00 1.00 C ATOM 386 CG LYS A 27 -6.925 2.262 -3.741 1.00 1.00 C ATOM 387 CD LYS A 27 -7.482 3.121 -2.605 1.00 1.00 C ATOM 388 CE LYS A 27 -6.377 4.029 -2.061 1.00 1.00 C ATOM 389 NZ LYS A 27 -7.033 4.838 -0.996 1.00 1.00 N ATOM 0 H LYS A 27 -5.302 -1.357 -4.432 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.082 -0.307 -4.740 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -7.660 0.598 -2.573 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -5.923 0.593 -2.802 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.928 2.606 -4.016 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -7.552 2.361 -4.627 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -8.317 3.722 -2.965 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -7.868 2.484 -1.809 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -5.548 3.445 -1.660 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.968 4.666 -2.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.487 5.709 -0.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.999 5.084 -1.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -7.072 4.286 -0.115 1.00 1.00 H new ATOM 402 N ARG A 28 -7.237 1.206 -6.547 1.00 1.00 N ATOM 403 CA ARG A 28 -6.710 1.869 -7.775 1.00 1.00 C ATOM 404 C ARG A 28 -6.184 3.269 -7.442 1.00 1.00 C ATOM 405 O ARG A 28 -6.842 4.050 -6.782 1.00 1.00 O ATOM 406 CB ARG A 28 -7.908 1.958 -8.720 1.00 1.00 C ATOM 407 CG ARG A 28 -7.579 1.240 -10.032 1.00 1.00 C ATOM 408 CD ARG A 28 -7.747 -0.270 -9.844 1.00 1.00 C ATOM 409 NE ARG A 28 -7.933 -0.808 -11.219 1.00 1.00 N ATOM 410 CZ ARG A 28 -9.103 -0.741 -11.794 1.00 1.00 C ATOM 411 NH1 ARG A 28 -10.110 -0.201 -11.163 1.00 1.00 N ATOM 412 NH2 ARG A 28 -9.265 -1.213 -13.000 1.00 1.00 N ATOM 0 H ARG A 28 -8.239 1.314 -6.392 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.880 1.317 -8.217 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.785 1.506 -8.256 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.153 3.002 -8.916 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -8.236 1.593 -10.827 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.558 1.468 -10.337 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.872 -0.708 -9.363 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.605 -0.496 -9.212 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.146 -1.229 -11.712 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -9.983 0.169 -10.221 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -11.024 -0.149 -11.612 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.478 -1.634 -13.493 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -10.179 -1.161 -13.450 1.00 1.00 H new ATOM 425 N LYS A 29 -5.004 3.592 -7.897 1.00 1.00 N ATOM 426 CA LYS A 29 -4.435 4.941 -7.611 1.00 1.00 C ATOM 427 C LYS A 29 -5.232 6.023 -8.347 1.00 1.00 C ATOM 428 O LYS A 29 -5.476 7.093 -7.825 1.00 1.00 O ATOM 429 CB LYS A 29 -3.003 4.888 -8.132 1.00 1.00 C ATOM 430 CG LYS A 29 -2.132 4.095 -7.156 1.00 1.00 C ATOM 431 CD LYS A 29 -1.270 5.061 -6.340 1.00 1.00 C ATOM 432 CE LYS A 29 -1.930 5.312 -4.982 1.00 1.00 C ATOM 433 NZ LYS A 29 -3.284 5.841 -5.304 1.00 1.00 N ATOM 0 H LYS A 29 -4.409 2.980 -8.455 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.474 5.185 -6.549 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.981 4.422 -9.117 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.610 5.898 -8.248 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.760 3.501 -6.492 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.497 3.397 -7.703 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -0.272 4.645 -6.200 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -1.151 6.002 -6.878 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.994 4.394 -4.398 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.357 6.027 -4.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.566 6.536 -4.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -3.265 6.299 -6.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.969 5.058 -5.316 1.00 1.00 H new ATOM 446 N LYS A 30 -5.633 5.754 -9.559 1.00 1.00 N ATOM 447 CA LYS A 30 -6.406 6.767 -10.334 1.00 1.00 C ATOM 448 C LYS A 30 -7.479 7.412 -9.452 1.00 1.00 C ATOM 449 O LYS A 30 -7.438 8.594 -9.174 1.00 1.00 O ATOM 450 CB LYS A 30 -7.053 5.981 -11.475 1.00 1.00 C ATOM 451 CG LYS A 30 -6.061 5.854 -12.633 1.00 1.00 C ATOM 452 CD LYS A 30 -6.448 6.830 -13.746 1.00 1.00 C ATOM 453 CE LYS A 30 -7.970 6.985 -13.784 1.00 1.00 C ATOM 454 NZ LYS A 30 -8.347 6.711 -15.198 1.00 1.00 N ATOM 0 H LYS A 30 -5.459 4.876 -10.047 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.772 7.575 -10.700 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.350 4.992 -11.127 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.958 6.486 -11.811 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.050 6.065 -12.285 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.060 4.833 -13.014 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.978 7.798 -13.575 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.085 6.465 -14.707 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.456 6.286 -13.103 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.273 7.987 -13.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.378 6.798 -15.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -7.875 7.396 -15.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.052 5.748 -15.455 1.00 1.00 H new ATOM 467 N ASP A 31 -8.439 6.647 -9.012 1.00 1.00 N ATOM 468 CA ASP A 31 -9.513 7.221 -8.151 1.00 1.00 C ATOM 469 C ASP A 31 -9.469 6.592 -6.756 1.00 1.00 C ATOM 470 O ASP A 31 -10.415 6.673 -5.999 1.00 1.00 O ATOM 471 CB ASP A 31 -10.821 6.864 -8.860 1.00 1.00 C ATOM 472 CG ASP A 31 -11.930 7.806 -8.388 1.00 1.00 C ATOM 473 OD1 ASP A 31 -12.227 7.795 -7.206 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.464 8.524 -9.218 1.00 1.00 O ATOM 0 H ASP A 31 -8.527 5.650 -9.211 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.402 8.297 -8.016 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.696 6.945 -9.940 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.092 5.830 -8.647 1.00 1.00 H new ATOM 479 N ASP A 32 -8.378 5.964 -6.412 1.00 1.00 N ATOM 480 CA ASP A 32 -8.279 5.329 -5.068 1.00 1.00 C ATOM 481 C ASP A 32 -9.474 4.402 -4.837 1.00 1.00 C ATOM 482 O ASP A 32 -10.153 4.486 -3.832 1.00 1.00 O ATOM 483 CB ASP A 32 -8.302 6.493 -4.076 1.00 1.00 C ATOM 484 CG ASP A 32 -7.586 7.699 -4.686 1.00 1.00 C ATOM 485 OD1 ASP A 32 -6.368 7.669 -4.752 1.00 1.00 O ATOM 486 OD2 ASP A 32 -8.267 8.632 -5.079 1.00 1.00 O ATOM 0 H ASP A 32 -7.552 5.863 -7.003 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.379 4.723 -4.961 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -9.331 6.754 -3.830 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.816 6.201 -3.145 1.00 1.00 H new ATOM 491 N TRP A 33 -9.737 3.518 -5.760 1.00 1.00 N ATOM 492 CA TRP A 33 -10.887 2.586 -5.595 1.00 1.00 C ATOM 493 C TRP A 33 -10.559 1.523 -4.544 1.00 1.00 C ATOM 494 O TRP A 33 -9.410 1.262 -4.249 1.00 1.00 O ATOM 495 CB TRP A 33 -11.073 1.939 -6.969 1.00 1.00 C ATOM 496 CG TRP A 33 -11.013 2.990 -8.031 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.908 3.699 -8.360 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.077 3.460 -8.909 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.228 4.575 -9.383 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.553 4.465 -9.755 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.433 3.114 -9.050 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.346 5.105 -10.708 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.234 3.756 -10.008 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.691 4.749 -10.836 1.00 1.00 C ATOM 0 H TRP A 33 -9.204 3.401 -6.622 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.789 3.099 -5.259 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.297 1.192 -7.138 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.030 1.420 -7.011 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.936 3.598 -7.900 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.566 5.223 -9.810 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.861 2.350 -8.418 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.923 5.870 -11.342 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.274 3.483 -10.108 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -14.312 5.238 -11.572 1.00 1.00 H new ATOM 515 N VAL A 34 -11.561 0.904 -3.981 1.00 1.00 N ATOM 516 CA VAL A 34 -11.307 -0.144 -2.954 1.00 1.00 C ATOM 517 C VAL A 34 -12.082 -1.416 -3.307 1.00 1.00 C ATOM 518 O VAL A 34 -13.170 -1.361 -3.843 1.00 1.00 O ATOM 519 CB VAL A 34 -11.821 0.451 -1.643 1.00 1.00 C ATOM 520 CG1 VAL A 34 -10.907 0.023 -0.494 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.827 1.978 -1.747 1.00 1.00 C ATOM 0 H VAL A 34 -12.544 1.079 -4.188 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.254 -0.416 -2.889 1.00 1.00 H new ATOM 0 HB VAL A 34 -12.833 0.093 -1.453 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -11.274 0.448 0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -10.900 -1.064 -0.420 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -9.895 0.380 -0.682 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -12.193 2.405 -0.813 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.814 2.334 -1.936 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -12.478 2.284 -2.566 1.00 1.00 H new ATOM 531 N ASN A 35 -11.530 -2.562 -3.015 1.00 1.00 N ATOM 532 CA ASN A 35 -12.242 -3.831 -3.341 1.00 1.00 C ATOM 533 C ASN A 35 -13.559 -3.914 -2.565 1.00 1.00 C ATOM 534 O ASN A 35 -13.585 -4.277 -1.406 1.00 1.00 O ATOM 535 CB ASN A 35 -11.290 -4.944 -2.902 1.00 1.00 C ATOM 536 CG ASN A 35 -11.153 -4.927 -1.378 1.00 1.00 C ATOM 537 OD1 ASN A 35 -11.230 -3.884 -0.762 1.00 1.00 O ATOM 538 ND2 ASN A 35 -10.949 -6.048 -0.742 1.00 1.00 N ATOM 0 H ASN A 35 -10.621 -2.675 -2.567 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.493 -3.903 -4.399 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.667 -5.911 -3.233 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.314 -4.807 -3.367 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -10.854 -6.048 0.274 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.884 -6.924 -1.260 1.00 1.00 H new ATOM 545 N ALA A 36 -14.652 -3.578 -3.193 1.00 1.00 N ATOM 546 CA ALA A 36 -15.966 -3.637 -2.490 1.00 1.00 C ATOM 547 C ALA A 36 -16.039 -4.884 -1.604 1.00 1.00 C ATOM 548 O ALA A 36 -16.750 -4.914 -0.620 1.00 1.00 O ATOM 549 CB ALA A 36 -17.009 -3.709 -3.605 1.00 1.00 C ATOM 0 H ALA A 36 -14.693 -3.265 -4.163 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.124 -2.777 -1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.006 -3.755 -3.168 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.930 -2.823 -4.235 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.836 -4.600 -4.208 1.00 1.00 H new ATOM 555 N THR A 37 -15.309 -5.914 -1.941 1.00 1.00 N ATOM 556 CA THR A 37 -15.347 -7.150 -1.107 1.00 1.00 C ATOM 557 C THR A 37 -14.887 -6.825 0.316 1.00 1.00 C ATOM 558 O THR A 37 -15.496 -7.235 1.285 1.00 1.00 O ATOM 559 CB THR A 37 -14.373 -8.121 -1.776 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.722 -8.270 -3.145 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.449 -9.479 -1.076 1.00 1.00 C ATOM 0 H THR A 37 -14.692 -5.953 -2.752 1.00 1.00 H new ATOM 0 HA THR A 37 -16.349 -7.573 -1.038 1.00 1.00 H new ATOM 0 HB THR A 37 -13.358 -7.731 -1.701 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.098 -8.891 -3.576 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.755 -10.173 -1.551 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.183 -9.362 -0.026 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.463 -9.871 -1.152 1.00 1.00 H new ATOM 569 N HIS A 38 -13.828 -6.077 0.447 1.00 1.00 N ATOM 570 CA HIS A 38 -13.345 -5.710 1.807 1.00 1.00 C ATOM 571 C HIS A 38 -14.374 -4.797 2.474 1.00 1.00 C ATOM 572 O HIS A 38 -14.508 -4.764 3.681 1.00 1.00 O ATOM 573 CB HIS A 38 -12.029 -4.964 1.577 1.00 1.00 C ATOM 574 CG HIS A 38 -12.171 -3.541 2.039 1.00 1.00 C ATOM 575 ND1 HIS A 38 -11.517 -2.492 1.412 1.00 1.00 N ATOM 576 CD2 HIS A 38 -12.889 -2.975 3.064 1.00 1.00 C ATOM 577 CE1 HIS A 38 -11.851 -1.360 2.061 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.686 -1.599 3.076 1.00 1.00 N ATOM 0 H HIS A 38 -13.277 -5.705 -0.326 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.203 -6.575 2.455 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.221 -5.455 2.120 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.764 -4.989 0.520 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -10.896 -2.564 0.606 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -13.517 -3.517 3.756 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -11.488 -0.379 1.793 1.00 1.00 H new ATOM 586 N ILE A 39 -15.111 -4.067 1.683 1.00 1.00 N ATOM 587 CA ILE A 39 -16.149 -3.158 2.243 1.00 1.00 C ATOM 588 C ILE A 39 -17.483 -3.902 2.352 1.00 1.00 C ATOM 589 O ILE A 39 -18.102 -3.941 3.397 1.00 1.00 O ATOM 590 CB ILE A 39 -16.252 -2.017 1.231 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.274 -0.905 1.612 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.678 -1.464 1.222 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.101 -0.901 0.631 1.00 1.00 C ATOM 0 H ILE A 39 -15.038 -4.062 0.666 1.00 1.00 H new ATOM 0 HA ILE A 39 -15.900 -2.797 3.241 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.005 -2.392 0.238 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.780 0.060 1.595 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -14.911 -1.057 2.629 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.748 -0.651 0.500 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.374 -2.256 0.945 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -17.930 -1.090 2.215 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.403 -0.109 0.902 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.591 -1.863 0.670 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.472 -0.728 -0.379 1.00 1.00 H new ATOM 605 N LEU A 40 -17.922 -4.496 1.277 1.00 1.00 N ATOM 606 CA LEU A 40 -19.209 -5.247 1.309 1.00 1.00 C ATOM 607 C LEU A 40 -18.955 -6.711 1.679 1.00 1.00 C ATOM 608 O LEU A 40 -19.576 -7.254 2.571 1.00 1.00 O ATOM 609 CB LEU A 40 -19.767 -5.140 -0.112 1.00 1.00 C ATOM 610 CG LEU A 40 -20.974 -4.202 -0.117 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.037 -4.731 0.848 1.00 1.00 C ATOM 612 CD2 LEU A 40 -20.535 -2.805 0.326 1.00 1.00 C ATOM 0 H LEU A 40 -17.444 -4.494 0.376 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.903 -4.848 2.049 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.999 -4.765 -0.788 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.058 -6.126 -0.475 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.390 -4.152 -1.123 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.897 -4.062 0.844 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.350 -5.727 0.534 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -21.622 -4.782 1.854 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -21.395 -2.135 0.323 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -20.119 -2.856 1.332 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -19.778 -2.427 -0.361 1.00 1.00 H new ATOM 624 N LYS A 41 -18.038 -7.351 1.004 1.00 1.00 N ATOM 625 CA LYS A 41 -17.738 -8.777 1.320 1.00 1.00 C ATOM 626 C LYS A 41 -17.122 -8.880 2.717 1.00 1.00 C ATOM 627 O LYS A 41 -17.206 -9.899 3.373 1.00 1.00 O ATOM 628 CB LYS A 41 -16.733 -9.218 0.256 1.00 1.00 C ATOM 629 CG LYS A 41 -17.481 -9.622 -1.016 1.00 1.00 C ATOM 630 CD LYS A 41 -18.909 -9.075 -0.965 1.00 1.00 C ATOM 631 CE LYS A 41 -18.915 -7.617 -1.428 1.00 1.00 C ATOM 632 NZ LYS A 41 -20.172 -7.470 -2.213 1.00 1.00 N ATOM 0 H LYS A 41 -17.484 -6.948 0.248 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.631 -9.402 1.315 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.037 -8.407 0.040 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -16.141 -10.056 0.624 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.963 -9.235 -1.893 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -17.499 -10.708 -1.110 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -19.561 -9.672 -1.602 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -19.301 -9.147 0.049 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -18.897 -6.933 -0.580 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -18.040 -7.392 -2.038 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -20.399 -6.461 -2.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.047 -7.898 -3.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -20.950 -7.949 -1.716 1.00 1.00 H new ATOM 645 N ALA A 42 -16.511 -7.824 3.176 1.00 1.00 N ATOM 646 CA ALA A 42 -15.895 -7.850 4.532 1.00 1.00 C ATOM 647 C ALA A 42 -16.991 -7.970 5.594 1.00 1.00 C ATOM 648 O ALA A 42 -16.757 -8.422 6.696 1.00 1.00 O ATOM 649 CB ALA A 42 -15.162 -6.515 4.664 1.00 1.00 C ATOM 0 H ALA A 42 -16.411 -6.944 2.671 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.219 -8.694 4.667 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.681 -6.459 5.640 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.407 -6.436 3.882 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.875 -5.697 4.564 1.00 1.00 H new ATOM 655 N ALA A 43 -18.188 -7.563 5.267 1.00 1.00 N ATOM 656 CA ALA A 43 -19.300 -7.648 6.255 1.00 1.00 C ATOM 657 C ALA A 43 -20.437 -8.517 5.710 1.00 1.00 C ATOM 658 O ALA A 43 -21.487 -8.626 6.313 1.00 1.00 O ATOM 659 CB ALA A 43 -19.772 -6.207 6.444 1.00 1.00 C ATOM 0 H ALA A 43 -18.443 -7.176 4.359 1.00 1.00 H new ATOM 0 HA ALA A 43 -18.980 -8.101 7.193 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.593 -6.184 7.160 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -18.947 -5.600 6.818 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.113 -5.807 5.489 1.00 1.00 H new ATOM 665 N ASN A 44 -20.244 -9.136 4.576 1.00 1.00 N ATOM 666 CA ASN A 44 -21.326 -9.990 4.007 1.00 1.00 C ATOM 667 C ASN A 44 -20.734 -11.239 3.346 1.00 1.00 C ATOM 668 O ASN A 44 -21.383 -11.900 2.560 1.00 1.00 O ATOM 669 CB ASN A 44 -22.019 -9.110 2.966 1.00 1.00 C ATOM 670 CG ASN A 44 -21.124 -8.980 1.732 1.00 1.00 C ATOM 671 OD1 ASN A 44 -20.756 -9.968 1.127 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.757 -7.794 1.329 1.00 1.00 N ATOM 0 H ASN A 44 -19.389 -9.088 4.022 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.017 -10.339 4.774 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.979 -9.544 2.688 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.224 -8.125 3.385 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.162 -7.696 0.507 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.066 -6.965 1.836 1.00 1.00 H new ATOM 679 N PHE A 45 -19.509 -11.566 3.655 1.00 1.00 N ATOM 680 CA PHE A 45 -18.886 -12.773 3.037 1.00 1.00 C ATOM 681 C PHE A 45 -19.244 -12.847 1.551 1.00 1.00 C ATOM 682 O PHE A 45 -20.252 -12.322 1.120 1.00 1.00 O ATOM 683 CB PHE A 45 -19.485 -13.960 3.793 1.00 1.00 C ATOM 684 CG PHE A 45 -18.719 -15.214 3.451 1.00 1.00 C ATOM 685 CD1 PHE A 45 -19.017 -15.919 2.279 1.00 1.00 C ATOM 686 CD2 PHE A 45 -17.711 -15.674 4.307 1.00 1.00 C ATOM 687 CE1 PHE A 45 -18.306 -17.082 1.962 1.00 1.00 C ATOM 688 CE2 PHE A 45 -17.001 -16.837 3.990 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.297 -17.542 2.818 1.00 1.00 C ATOM 0 H PHE A 45 -18.914 -11.053 4.306 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.798 -12.757 3.102 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -19.445 -13.778 4.867 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.536 -14.080 3.529 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -19.796 -15.565 1.619 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -17.482 -15.131 5.212 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -18.535 -17.625 1.057 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -16.223 -17.191 4.651 1.00 1.00 H new ATOM 0 HZ PHE A 45 -16.748 -18.440 2.574 1.00 1.00 H new ATOM 699 N ALA A 46 -18.427 -13.489 0.761 1.00 1.00 N ATOM 700 CA ALA A 46 -18.725 -13.587 -0.697 1.00 1.00 C ATOM 701 C ALA A 46 -19.623 -14.791 -0.981 1.00 1.00 C ATOM 702 O ALA A 46 -19.167 -15.909 -1.121 1.00 1.00 O ATOM 703 CB ALA A 46 -17.364 -13.755 -1.374 1.00 1.00 C ATOM 0 H ALA A 46 -17.568 -13.949 1.061 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.255 -12.709 -1.066 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.501 -13.834 -2.452 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.737 -12.892 -1.151 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.882 -14.659 -1.002 1.00 1.00 H new ATOM 709 N LYS A 47 -20.899 -14.558 -1.074 1.00 1.00 N ATOM 710 CA LYS A 47 -21.859 -15.660 -1.357 1.00 1.00 C ATOM 711 C LYS A 47 -22.998 -15.106 -2.209 1.00 1.00 C ATOM 712 O LYS A 47 -22.907 -14.012 -2.731 1.00 1.00 O ATOM 713 CB LYS A 47 -22.372 -16.110 0.011 1.00 1.00 C ATOM 714 CG LYS A 47 -21.803 -17.492 0.341 1.00 1.00 C ATOM 715 CD LYS A 47 -22.360 -17.966 1.684 1.00 1.00 C ATOM 716 CE LYS A 47 -23.656 -18.747 1.453 1.00 1.00 C ATOM 717 NZ LYS A 47 -23.472 -20.025 2.195 1.00 1.00 N ATOM 0 H LYS A 47 -21.325 -13.638 -0.965 1.00 1.00 H new ATOM 0 HA LYS A 47 -21.410 -16.492 -1.899 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.077 -15.392 0.776 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.461 -16.145 0.009 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.065 -18.202 -0.444 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.715 -17.449 0.382 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -21.629 -18.596 2.191 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -22.549 -17.111 2.333 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -24.520 -18.196 1.824 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -23.824 -18.928 0.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -24.321 -20.616 2.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.646 -20.531 1.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -23.321 -19.822 3.204 1.00 1.00 H new ATOM 730 N ALA A 48 -24.075 -15.824 -2.355 1.00 1.00 N ATOM 731 CA ALA A 48 -25.190 -15.279 -3.174 1.00 1.00 C ATOM 732 C ALA A 48 -25.510 -13.877 -2.667 1.00 1.00 C ATOM 733 O ALA A 48 -25.975 -13.027 -3.399 1.00 1.00 O ATOM 734 CB ALA A 48 -26.367 -16.227 -2.943 1.00 1.00 C ATOM 0 H ALA A 48 -24.230 -16.748 -1.951 1.00 1.00 H new ATOM 0 HA ALA A 48 -24.954 -15.210 -4.236 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -27.228 -15.885 -3.518 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -26.093 -17.232 -3.263 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -26.621 -16.240 -1.883 1.00 1.00 H new ATOM 740 N LYS A 49 -25.224 -13.625 -1.420 1.00 1.00 N ATOM 741 CA LYS A 49 -25.464 -12.270 -0.861 1.00 1.00 C ATOM 742 C LYS A 49 -24.489 -11.283 -1.507 1.00 1.00 C ATOM 743 O LYS A 49 -24.880 -10.248 -2.012 1.00 1.00 O ATOM 744 CB LYS A 49 -25.187 -12.401 0.637 1.00 1.00 C ATOM 745 CG LYS A 49 -26.484 -12.176 1.418 1.00 1.00 C ATOM 746 CD LYS A 49 -26.707 -10.675 1.617 1.00 1.00 C ATOM 747 CE LYS A 49 -27.506 -10.444 2.902 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.468 -9.358 2.565 1.00 1.00 N ATOM 0 H LYS A 49 -24.834 -14.302 -0.764 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.474 -11.906 -1.048 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.784 -13.389 0.858 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.435 -11.674 0.943 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -27.326 -12.611 0.879 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.431 -12.678 2.384 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -25.749 -10.159 1.674 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.243 -10.260 0.763 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.026 -11.350 3.212 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -26.854 -10.153 3.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -29.053 -9.142 3.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.944 -8.506 2.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -29.080 -9.666 1.782 1.00 1.00 H new ATOM 761 N ARG A 50 -23.218 -11.603 -1.505 1.00 1.00 N ATOM 762 CA ARG A 50 -22.218 -10.689 -2.122 1.00 1.00 C ATOM 763 C ARG A 50 -22.517 -10.519 -3.611 1.00 1.00 C ATOM 764 O ARG A 50 -22.171 -9.522 -4.213 1.00 1.00 O ATOM 765 CB ARG A 50 -20.869 -11.381 -1.921 1.00 1.00 C ATOM 766 CG ARG A 50 -19.979 -11.132 -3.139 1.00 1.00 C ATOM 767 CD ARG A 50 -19.448 -12.467 -3.665 1.00 1.00 C ATOM 768 NE ARG A 50 -19.149 -12.221 -5.103 1.00 1.00 N ATOM 769 CZ ARG A 50 -18.390 -13.052 -5.764 1.00 1.00 C ATOM 770 NH1 ARG A 50 -17.894 -14.100 -5.164 1.00 1.00 N ATOM 771 NH2 ARG A 50 -18.129 -12.837 -7.024 1.00 1.00 N ATOM 0 H ARG A 50 -22.834 -12.458 -1.102 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.233 -9.695 -1.676 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.385 -11.002 -1.021 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -21.016 -12.452 -1.778 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -20.545 -10.621 -3.918 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -19.149 -10.479 -2.869 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.555 -12.778 -3.123 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -20.186 -13.260 -3.545 1.00 1.00 H new ATOM 0 HE ARG A 50 -19.538 -11.403 -5.572 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -18.100 -14.269 -4.179 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -17.301 -14.750 -5.680 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -18.518 -12.019 -7.493 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -17.536 -13.487 -7.540 1.00 1.00 H new ATOM 784 N THR A 51 -23.170 -11.479 -4.211 1.00 1.00 N ATOM 785 CA THR A 51 -23.500 -11.358 -5.658 1.00 1.00 C ATOM 786 C THR A 51 -24.529 -10.245 -5.850 1.00 1.00 C ATOM 787 O THR A 51 -24.486 -9.505 -6.811 1.00 1.00 O ATOM 788 CB THR A 51 -24.092 -12.714 -6.047 1.00 1.00 C ATOM 789 OG1 THR A 51 -23.147 -13.738 -5.767 1.00 1.00 O ATOM 790 CG2 THR A 51 -24.425 -12.718 -7.540 1.00 1.00 C ATOM 0 H THR A 51 -23.487 -12.338 -3.762 1.00 1.00 H new ATOM 0 HA THR A 51 -22.633 -11.111 -6.270 1.00 1.00 H new ATOM 0 HB THR A 51 -25.002 -12.892 -5.474 1.00 1.00 H new ATOM 0 HG1 THR A 51 -23.170 -13.952 -4.811 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.847 -13.684 -7.816 1.00 1.00 H new ATOM 0 HG22 THR A 51 -25.149 -11.932 -7.753 1.00 1.00 H new ATOM 0 HG23 THR A 51 -23.517 -12.541 -8.116 1.00 1.00 H new ATOM 798 N ARG A 52 -25.445 -10.116 -4.930 1.00 1.00 N ATOM 799 CA ARG A 52 -26.471 -9.041 -5.045 1.00 1.00 C ATOM 800 C ARG A 52 -25.962 -7.780 -4.343 1.00 1.00 C ATOM 801 O ARG A 52 -25.706 -6.769 -4.966 1.00 1.00 O ATOM 802 CB ARG A 52 -27.709 -9.590 -4.336 1.00 1.00 C ATOM 803 CG ARG A 52 -28.969 -9.092 -5.046 1.00 1.00 C ATOM 804 CD ARG A 52 -30.185 -9.316 -4.145 1.00 1.00 C ATOM 805 NE ARG A 52 -31.178 -10.018 -5.006 1.00 1.00 N ATOM 806 CZ ARG A 52 -32.263 -10.513 -4.479 1.00 1.00 C ATOM 807 NH1 ARG A 52 -32.480 -10.394 -3.198 1.00 1.00 N ATOM 808 NH2 ARG A 52 -33.133 -11.127 -5.234 1.00 1.00 N ATOM 0 H ARG A 52 -25.528 -10.708 -4.104 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.689 -8.776 -6.079 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.687 -10.680 -4.335 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.716 -9.270 -3.294 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -28.870 -8.033 -5.285 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -29.100 -9.621 -5.990 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.925 -9.916 -3.273 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -30.582 -8.371 -3.775 1.00 1.00 H new ATOM 0 HE ARG A 52 -31.009 -10.111 -6.008 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -31.801 -9.913 -2.608 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -33.329 -10.781 -2.786 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -32.964 -11.219 -6.236 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -33.982 -11.514 -4.822 1.00 1.00 H new ATOM 821 N ILE A 53 -25.813 -7.836 -3.049 1.00 1.00 N ATOM 822 CA ILE A 53 -25.320 -6.643 -2.305 1.00 1.00 C ATOM 823 C ILE A 53 -24.124 -6.038 -3.047 1.00 1.00 C ATOM 824 O ILE A 53 -24.070 -4.849 -3.286 1.00 1.00 O ATOM 825 CB ILE A 53 -24.892 -7.175 -0.937 1.00 1.00 C ATOM 826 CG1 ILE A 53 -25.274 -6.160 0.143 1.00 1.00 C ATOM 827 CG2 ILE A 53 -23.379 -7.391 -0.922 1.00 1.00 C ATOM 828 CD1 ILE A 53 -25.160 -6.814 1.521 1.00 1.00 C ATOM 0 H ILE A 53 -26.011 -8.655 -2.475 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.075 -5.863 -2.213 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.394 -8.123 -0.742 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -24.620 -5.290 0.087 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.292 -5.805 -0.020 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.075 -7.770 0.054 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.107 -8.112 -1.692 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -22.874 -6.445 -1.117 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -25.432 -6.091 2.290 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -25.832 -7.671 1.574 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -24.135 -7.147 1.682 1.00 1.00 H new ATOM 840 N LEU A 54 -23.180 -6.851 -3.437 1.00 1.00 N ATOM 841 CA LEU A 54 -22.009 -6.318 -4.190 1.00 1.00 C ATOM 842 C LEU A 54 -22.474 -5.834 -5.565 1.00 1.00 C ATOM 843 O LEU A 54 -22.240 -4.708 -5.958 1.00 1.00 O ATOM 844 CB LEU A 54 -21.050 -7.501 -4.329 1.00 1.00 C ATOM 845 CG LEU A 54 -19.636 -6.984 -4.597 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.382 -5.730 -3.759 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.620 -8.064 -4.219 1.00 1.00 C ATOM 0 H LEU A 54 -23.169 -7.857 -3.268 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.531 -5.476 -3.689 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.063 -8.102 -3.419 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -21.372 -8.150 -5.144 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.533 -6.740 -5.654 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.374 -5.362 -3.951 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -20.106 -4.961 -4.027 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.485 -5.972 -2.701 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.611 -7.697 -4.409 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.724 -8.307 -3.162 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.800 -8.958 -4.816 1.00 1.00 H new ATOM 859 N GLU A 55 -23.135 -6.690 -6.296 1.00 1.00 N ATOM 860 CA GLU A 55 -23.626 -6.304 -7.649 1.00 1.00 C ATOM 861 C GLU A 55 -24.420 -4.999 -7.561 1.00 1.00 C ATOM 862 O GLU A 55 -24.194 -4.072 -8.313 1.00 1.00 O ATOM 863 CB GLU A 55 -24.532 -7.455 -8.084 1.00 1.00 C ATOM 864 CG GLU A 55 -23.818 -8.295 -9.144 1.00 1.00 C ATOM 865 CD GLU A 55 -24.824 -8.736 -10.209 1.00 1.00 C ATOM 866 OE1 GLU A 55 -26.008 -8.531 -9.997 1.00 1.00 O ATOM 867 OE2 GLU A 55 -24.395 -9.271 -11.217 1.00 1.00 O ATOM 0 H GLU A 55 -23.357 -7.644 -6.013 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.813 -6.138 -8.356 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -24.787 -8.075 -7.225 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -25.467 -7.064 -8.484 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -23.017 -7.716 -9.603 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -23.356 -9.167 -8.682 1.00 1.00 H new ATOM 874 N LYS A 56 -25.342 -4.913 -6.642 1.00 1.00 N ATOM 875 CA LYS A 56 -26.138 -3.660 -6.504 1.00 1.00 C ATOM 876 C LYS A 56 -25.252 -2.552 -5.931 1.00 1.00 C ATOM 877 O LYS A 56 -25.419 -1.388 -6.235 1.00 1.00 O ATOM 878 CB LYS A 56 -27.265 -4.008 -5.532 1.00 1.00 C ATOM 879 CG LYS A 56 -27.641 -2.766 -4.720 1.00 1.00 C ATOM 880 CD LYS A 56 -27.117 -2.914 -3.290 1.00 1.00 C ATOM 881 CE LYS A 56 -28.188 -3.572 -2.418 1.00 1.00 C ATOM 882 NZ LYS A 56 -28.390 -2.631 -1.281 1.00 1.00 N ATOM 0 H LYS A 56 -25.579 -5.654 -5.982 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.528 -3.303 -7.457 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -28.133 -4.373 -6.081 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.949 -4.810 -4.865 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -27.219 -1.874 -5.183 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.723 -2.638 -4.711 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -26.209 -3.516 -3.285 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -26.854 -1.937 -2.885 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.113 -3.723 -2.975 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -27.864 -4.552 -2.067 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -29.112 -3.014 -0.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -27.495 -2.512 -0.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -28.705 -1.709 -1.645 1.00 1.00 H new ATOM 895 N GLU A 57 -24.302 -2.912 -5.112 1.00 1.00 N ATOM 896 CA GLU A 57 -23.394 -1.886 -4.528 1.00 1.00 C ATOM 897 C GLU A 57 -22.343 -1.483 -5.564 1.00 1.00 C ATOM 898 O GLU A 57 -22.142 -0.316 -5.840 1.00 1.00 O ATOM 899 CB GLU A 57 -22.736 -2.571 -3.329 1.00 1.00 C ATOM 900 CG GLU A 57 -21.703 -1.630 -2.707 1.00 1.00 C ATOM 901 CD GLU A 57 -21.982 -0.195 -3.158 1.00 1.00 C ATOM 902 OE1 GLU A 57 -23.146 0.152 -3.276 1.00 1.00 O ATOM 903 OE2 GLU A 57 -21.028 0.533 -3.377 1.00 1.00 O ATOM 0 H GLU A 57 -24.116 -3.872 -4.822 1.00 1.00 H new ATOM 0 HA GLU A 57 -23.921 -0.979 -4.232 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.491 -2.839 -2.590 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.256 -3.498 -3.644 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -21.744 -1.695 -1.620 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -20.698 -1.927 -3.006 1.00 1.00 H new ATOM 910 N VAL A 58 -21.677 -2.442 -6.145 1.00 1.00 N ATOM 911 CA VAL A 58 -20.644 -2.119 -7.170 1.00 1.00 C ATOM 912 C VAL A 58 -21.315 -1.849 -8.519 1.00 1.00 C ATOM 913 O VAL A 58 -20.946 -0.939 -9.235 1.00 1.00 O ATOM 914 CB VAL A 58 -19.760 -3.364 -7.250 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.428 -3.090 -6.548 1.00 1.00 C ATOM 916 CG2 VAL A 58 -20.464 -4.535 -6.563 1.00 1.00 C ATOM 0 H VAL A 58 -21.803 -3.436 -5.955 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.068 -1.230 -6.914 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.577 -3.612 -8.296 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -17.798 -3.977 -6.605 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -17.925 -2.255 -7.036 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -18.612 -2.842 -5.503 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.834 -5.423 -6.620 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.647 -4.287 -5.518 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -21.413 -4.732 -7.061 1.00 1.00 H new ATOM 926 N LEU A 59 -22.301 -2.631 -8.872 1.00 1.00 N ATOM 927 CA LEU A 59 -22.993 -2.410 -10.173 1.00 1.00 C ATOM 928 C LEU A 59 -23.370 -0.935 -10.316 1.00 1.00 C ATOM 929 O LEU A 59 -23.146 -0.322 -11.341 1.00 1.00 O ATOM 930 CB LEU A 59 -24.247 -3.280 -10.114 1.00 1.00 C ATOM 931 CG LEU A 59 -25.087 -3.042 -11.369 1.00 1.00 C ATOM 932 CD1 LEU A 59 -25.748 -1.665 -11.285 1.00 1.00 C ATOM 933 CD2 LEU A 59 -24.183 -3.096 -12.602 1.00 1.00 C ATOM 0 H LEU A 59 -22.655 -3.410 -8.317 1.00 1.00 H new ATOM 0 HA LEU A 59 -22.364 -2.667 -11.026 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.971 -4.332 -10.042 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.828 -3.041 -9.223 1.00 1.00 H new ATOM 0 HG LEU A 59 -25.855 -3.811 -11.445 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -26.347 -1.494 -12.179 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -26.389 -1.622 -10.405 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.979 -0.896 -11.211 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -24.780 -2.927 -13.498 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -23.416 -2.325 -12.525 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -23.708 -4.075 -12.662 1.00 1.00 H new ATOM 945 N LYS A 60 -23.927 -0.356 -9.287 1.00 1.00 N ATOM 946 CA LYS A 60 -24.301 1.083 -9.357 1.00 1.00 C ATOM 947 C LYS A 60 -23.033 1.934 -9.281 1.00 1.00 C ATOM 948 O LYS A 60 -23.045 3.120 -9.544 1.00 1.00 O ATOM 949 CB LYS A 60 -25.189 1.326 -8.137 1.00 1.00 C ATOM 950 CG LYS A 60 -26.334 2.268 -8.517 1.00 1.00 C ATOM 951 CD LYS A 60 -27.570 1.446 -8.888 1.00 1.00 C ATOM 952 CE LYS A 60 -28.817 2.098 -8.289 1.00 1.00 C ATOM 953 NZ LYS A 60 -29.951 1.577 -9.102 1.00 1.00 N ATOM 0 H LYS A 60 -24.139 -0.818 -8.402 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.817 1.342 -10.281 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.589 0.380 -7.771 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.602 1.759 -7.327 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -26.563 2.933 -7.685 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -26.038 2.898 -9.356 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -27.665 1.383 -9.972 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -27.466 0.426 -8.517 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -28.933 1.837 -7.237 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -28.759 3.185 -8.343 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -30.843 1.980 -8.751 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -29.817 1.847 -10.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -29.985 0.540 -9.026 1.00 1.00 H new ATOM 966 N GLU A 61 -21.937 1.322 -8.926 1.00 1.00 N ATOM 967 CA GLU A 61 -20.653 2.071 -8.834 1.00 1.00 C ATOM 968 C GLU A 61 -19.700 1.606 -9.936 1.00 1.00 C ATOM 969 O GLU A 61 -20.116 1.245 -11.019 1.00 1.00 O ATOM 970 CB GLU A 61 -20.090 1.727 -7.454 1.00 1.00 C ATOM 971 CG GLU A 61 -20.286 2.914 -6.511 1.00 1.00 C ATOM 972 CD GLU A 61 -19.816 4.197 -7.200 1.00 1.00 C ATOM 973 OE1 GLU A 61 -19.541 4.141 -8.387 1.00 1.00 O ATOM 974 OE2 GLU A 61 -19.738 5.212 -6.528 1.00 1.00 O ATOM 0 H GLU A 61 -21.876 0.330 -8.695 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.787 3.145 -8.959 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.592 0.845 -7.055 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.031 1.483 -7.533 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -21.336 3.002 -6.233 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -19.725 2.757 -5.590 1.00 1.00 H new ATOM 981 N THR A 62 -18.422 1.612 -9.672 1.00 1.00 N ATOM 982 CA THR A 62 -17.446 1.170 -10.708 1.00 1.00 C ATOM 983 C THR A 62 -16.749 -0.120 -10.266 1.00 1.00 C ATOM 984 O THR A 62 -15.541 -0.178 -10.158 1.00 1.00 O ATOM 985 CB THR A 62 -16.438 2.316 -10.813 1.00 1.00 C ATOM 986 OG1 THR A 62 -16.781 3.331 -9.880 1.00 1.00 O ATOM 987 CG2 THR A 62 -16.464 2.893 -12.229 1.00 1.00 C ATOM 0 H THR A 62 -18.012 1.904 -8.785 1.00 1.00 H new ATOM 0 HA THR A 62 -17.925 0.958 -11.664 1.00 1.00 H new ATOM 0 HB THR A 62 -15.438 1.942 -10.594 1.00 1.00 H new ATOM 0 HG1 THR A 62 -16.155 4.080 -9.967 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.745 3.709 -12.302 1.00 1.00 H new ATOM 0 HG22 THR A 62 -16.202 2.113 -12.944 1.00 1.00 H new ATOM 0 HG23 THR A 62 -17.463 3.268 -12.451 1.00 1.00 H new ATOM 995 N HIS A 63 -17.502 -1.157 -10.012 1.00 1.00 N ATOM 996 CA HIS A 63 -16.880 -2.443 -9.580 1.00 1.00 C ATOM 997 C HIS A 63 -15.962 -2.978 -10.682 1.00 1.00 C ATOM 998 O HIS A 63 -16.365 -3.132 -11.817 1.00 1.00 O ATOM 999 CB HIS A 63 -18.054 -3.393 -9.352 1.00 1.00 C ATOM 1000 CG HIS A 63 -17.918 -4.585 -10.260 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -17.916 -4.465 -11.641 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -17.778 -5.925 -10.000 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -17.777 -5.700 -12.155 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -17.689 -6.629 -11.198 1.00 1.00 N ATOM 0 H HIS A 63 -18.519 -1.170 -10.085 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.270 -2.329 -8.684 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.078 -3.716 -8.311 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.995 -2.879 -9.548 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -18.004 -3.598 -12.171 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -17.742 -6.367 -9.015 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.741 -5.915 -13.213 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.729 -3.260 -10.358 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.789 -3.780 -11.393 1.00 1.00 C ATOM 1014 C GLU A 64 -13.076 -5.038 -10.891 1.00 1.00 C ATOM 1015 O GLU A 64 -12.708 -5.137 -9.737 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.783 -2.651 -11.610 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.297 -1.708 -12.700 1.00 1.00 C ATOM 1018 CD GLU A 64 -13.304 -0.272 -12.172 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -12.474 0.033 -11.332 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -14.139 0.497 -12.616 1.00 1.00 O ATOM 0 H GLU A 64 -14.333 -3.153 -9.424 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.305 -4.058 -12.312 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.632 -2.101 -10.681 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.816 -3.063 -11.898 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -12.664 -1.778 -13.584 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -14.302 -2.000 -13.004 1.00 1.00 H new ATOM 1027 N LYS A 65 -12.870 -5.996 -11.753 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.171 -7.244 -11.331 1.00 1.00 C ATOM 1029 C LYS A 65 -10.711 -7.205 -11.792 1.00 1.00 C ATOM 1030 O LYS A 65 -10.411 -6.784 -12.891 1.00 1.00 O ATOM 1031 CB LYS A 65 -12.927 -8.376 -12.028 1.00 1.00 C ATOM 1032 CG LYS A 65 -14.360 -7.931 -12.319 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.741 -8.334 -13.745 1.00 1.00 C ATOM 1034 CE LYS A 65 -16.240 -8.109 -13.957 1.00 1.00 C ATOM 1035 NZ LYS A 65 -16.484 -8.464 -15.382 1.00 1.00 N ATOM 0 H LYS A 65 -13.156 -5.969 -12.732 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.161 -7.371 -10.248 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -12.423 -8.646 -12.956 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -12.932 -9.266 -11.398 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.046 -8.388 -11.605 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -14.448 -6.851 -12.199 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -14.169 -7.748 -14.465 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -14.492 -9.381 -13.917 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -16.832 -8.734 -13.288 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -16.516 -7.074 -13.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -17.492 -8.335 -15.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -15.913 -7.849 -15.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -16.218 -9.456 -15.543 1.00 1.00 H new ATOM 1048 N VAL A 66 -9.802 -7.633 -10.960 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.363 -7.609 -11.356 1.00 1.00 C ATOM 1050 C VAL A 66 -7.978 -8.917 -12.054 1.00 1.00 C ATOM 1051 O VAL A 66 -8.328 -9.994 -11.614 1.00 1.00 O ATOM 1052 CB VAL A 66 -7.594 -7.458 -10.044 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.248 -8.322 -8.965 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -6.146 -7.910 -10.250 1.00 1.00 C ATOM 0 H VAL A 66 -9.991 -7.997 -10.026 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.144 -6.802 -12.055 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.610 -6.414 -9.731 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.699 -8.214 -8.030 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -9.280 -8.003 -8.819 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -8.232 -9.367 -9.276 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -5.595 -7.803 -9.316 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -6.132 -8.954 -10.562 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -5.679 -7.295 -11.019 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.256 -8.828 -13.137 1.00 1.00 N ATOM 1065 CA GLN A 67 -6.842 -10.062 -13.864 1.00 1.00 C ATOM 1066 C GLN A 67 -5.423 -9.896 -14.414 1.00 1.00 C ATOM 1067 O GLN A 67 -5.068 -8.859 -14.940 1.00 1.00 O ATOM 1068 CB GLN A 67 -7.848 -10.207 -15.006 1.00 1.00 C ATOM 1069 CG GLN A 67 -7.983 -8.872 -15.741 1.00 1.00 C ATOM 1070 CD GLN A 67 -9.441 -8.412 -15.700 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -10.158 -8.536 -16.673 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -9.914 -7.882 -14.606 1.00 1.00 N ATOM 0 H GLN A 67 -6.934 -7.953 -13.551 1.00 1.00 H new ATOM 0 HA GLN A 67 -6.833 -10.940 -13.218 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -7.520 -10.983 -15.697 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.816 -10.518 -14.614 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -7.341 -8.123 -15.277 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -7.653 -8.979 -16.774 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -9.313 -7.778 -13.789 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -10.885 -7.572 -14.568 1.00 1.00 H new ATOM 1081 N GLY A 68 -4.609 -10.910 -14.299 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.215 -10.807 -14.818 1.00 1.00 C ATOM 1083 C GLY A 68 -2.283 -10.345 -13.695 1.00 1.00 C ATOM 1084 O GLY A 68 -1.091 -10.205 -13.883 1.00 1.00 O ATOM 0 H GLY A 68 -4.848 -11.804 -13.869 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -2.887 -11.773 -15.203 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.177 -10.103 -15.649 1.00 1.00 H new ATOM 1088 N GLY A 69 -2.819 -10.105 -12.529 1.00 1.00 N ATOM 1089 CA GLY A 69 -1.962 -9.652 -11.397 1.00 1.00 C ATOM 1090 C GLY A 69 -2.110 -8.141 -11.215 1.00 1.00 C ATOM 1091 O GLY A 69 -1.419 -7.530 -10.425 1.00 1.00 O ATOM 0 H GLY A 69 -3.811 -10.203 -12.312 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.249 -10.169 -10.481 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -0.920 -9.905 -11.593 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.008 -7.531 -11.940 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.201 -6.059 -11.807 1.00 1.00 C ATOM 1097 C PHE A 70 -4.457 -5.765 -10.982 1.00 1.00 C ATOM 1098 O PHE A 70 -5.545 -5.649 -11.511 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.366 -5.548 -13.238 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.874 -6.597 -14.207 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -1.542 -7.026 -14.156 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -3.749 -7.139 -15.155 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -1.086 -7.999 -15.055 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -3.293 -8.111 -16.053 1.00 1.00 C ATOM 1105 CZ PHE A 70 -1.962 -8.541 -16.003 1.00 1.00 C ATOM 0 H PHE A 70 -3.616 -7.989 -12.619 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.366 -5.577 -11.298 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.413 -5.318 -13.435 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -2.806 -4.623 -13.372 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.867 -6.607 -13.424 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.776 -6.807 -15.194 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -0.059 -8.331 -15.017 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -3.968 -8.529 -16.785 1.00 1.00 H new ATOM 0 HZ PHE A 70 -1.611 -9.291 -16.696 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.315 -5.647 -9.690 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.502 -5.365 -8.834 1.00 1.00 C ATOM 1117 C GLY A 71 -6.142 -6.685 -8.401 1.00 1.00 C ATOM 1118 O GLY A 71 -7.309 -6.742 -8.061 1.00 1.00 O ATOM 0 H GLY A 71 -3.430 -5.734 -9.191 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.204 -4.788 -7.958 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.224 -4.761 -9.383 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.383 -7.748 -8.402 1.00 1.00 N ATOM 1123 CA LYS A 72 -5.951 -9.062 -7.990 1.00 1.00 C ATOM 1124 C LYS A 72 -6.163 -9.067 -6.481 1.00 1.00 C ATOM 1125 O LYS A 72 -6.800 -9.945 -5.932 1.00 1.00 O ATOM 1126 CB LYS A 72 -4.898 -10.096 -8.393 1.00 1.00 C ATOM 1127 CG LYS A 72 -4.788 -11.164 -7.303 1.00 1.00 C ATOM 1128 CD LYS A 72 -3.698 -10.766 -6.306 1.00 1.00 C ATOM 1129 CE LYS A 72 -2.336 -11.230 -6.826 1.00 1.00 C ATOM 1130 NZ LYS A 72 -1.987 -10.265 -7.904 1.00 1.00 N ATOM 0 H LYS A 72 -4.399 -7.763 -8.669 1.00 1.00 H new ATOM 0 HA LYS A 72 -6.914 -9.272 -8.456 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.170 -10.557 -9.342 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -3.933 -9.610 -8.540 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -5.743 -11.274 -6.789 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.553 -12.131 -7.749 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -3.696 -9.685 -6.165 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -3.899 -11.214 -5.333 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -1.588 -11.224 -6.033 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.386 -12.249 -7.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -0.970 -10.329 -8.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -2.530 -10.491 -8.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.217 -9.299 -7.593 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.655 -8.073 -5.810 1.00 1.00 N ATOM 1144 CA TYR A 73 -5.850 -7.995 -4.340 1.00 1.00 C ATOM 1145 C TYR A 73 -7.191 -7.320 -4.054 1.00 1.00 C ATOM 1146 O TYR A 73 -7.784 -7.503 -3.010 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.692 -7.138 -3.827 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.407 -7.928 -3.908 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -2.976 -8.442 -5.137 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.646 -8.145 -2.752 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -1.785 -9.173 -5.210 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.454 -8.876 -2.826 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.023 -9.390 -4.055 1.00 1.00 C ATOM 1154 OH TYR A 73 0.150 -10.111 -4.128 1.00 1.00 O ATOM 0 H TYR A 73 -5.113 -7.311 -6.218 1.00 1.00 H new ATOM 0 HA TYR A 73 -5.861 -8.973 -3.859 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.609 -6.227 -4.420 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -4.880 -6.833 -2.798 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -3.562 -8.274 -6.028 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.979 -7.749 -1.804 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -1.453 -9.570 -6.158 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.867 -9.043 -1.935 1.00 1.00 H new ATOM 0 HH TYR A 73 0.555 -10.167 -3.238 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.677 -6.540 -4.987 1.00 1.00 N ATOM 1165 CA GLN A 74 -8.984 -5.854 -4.780 1.00 1.00 C ATOM 1166 C GLN A 74 -10.117 -6.689 -5.383 1.00 1.00 C ATOM 1167 O GLN A 74 -11.148 -6.887 -4.770 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.852 -4.519 -5.514 1.00 1.00 C ATOM 1169 CG GLN A 74 -8.578 -4.777 -6.998 1.00 1.00 C ATOM 1170 CD GLN A 74 -9.811 -5.410 -7.643 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -10.831 -5.572 -7.003 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -9.762 -5.777 -8.895 1.00 1.00 N ATOM 0 H GLN A 74 -7.224 -6.350 -5.881 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.217 -5.716 -3.724 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.766 -3.936 -5.398 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -8.042 -3.932 -5.080 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -8.331 -3.842 -7.501 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.717 -5.436 -7.110 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.906 -5.641 -9.433 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -10.580 -6.199 -9.335 1.00 1.00 H new ATOM 1181 N GLY A 75 -9.934 -7.181 -6.578 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.001 -8.003 -7.217 1.00 1.00 C ATOM 1183 C GLY A 75 -12.157 -7.096 -7.645 1.00 1.00 C ATOM 1184 O GLY A 75 -12.399 -6.892 -8.818 1.00 1.00 O ATOM 0 H GLY A 75 -9.092 -7.049 -7.139 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.599 -8.531 -8.082 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.358 -8.760 -6.519 1.00 1.00 H new ATOM 1188 N THR A 76 -12.868 -6.545 -6.700 1.00 1.00 N ATOM 1189 CA THR A 76 -14.003 -5.643 -7.045 1.00 1.00 C ATOM 1190 C THR A 76 -13.839 -4.303 -6.325 1.00 1.00 C ATOM 1191 O THR A 76 -14.599 -3.964 -5.439 1.00 1.00 O ATOM 1192 CB THR A 76 -15.254 -6.371 -6.550 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.111 -7.765 -6.784 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.481 -5.849 -7.299 1.00 1.00 C ATOM 0 H THR A 76 -12.711 -6.681 -5.701 1.00 1.00 H new ATOM 0 HA THR A 76 -14.056 -5.429 -8.113 1.00 1.00 H new ATOM 0 HB THR A 76 -15.381 -6.192 -5.482 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.911 -8.234 -6.466 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.371 -6.369 -6.945 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.589 -4.779 -7.119 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.358 -6.026 -8.367 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.846 -3.541 -6.693 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.628 -2.227 -6.023 1.00 1.00 C ATOM 1204 C TRP A 77 -13.644 -1.196 -6.520 1.00 1.00 C ATOM 1205 O TRP A 77 -14.239 -1.348 -7.568 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.210 -1.813 -6.420 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.907 -2.318 -7.794 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.829 -2.763 -8.678 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.615 -2.439 -8.455 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.185 -3.150 -9.840 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.819 -2.968 -9.750 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.298 -2.142 -8.060 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.754 -3.197 -10.623 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.223 -2.369 -8.936 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.452 -2.896 -10.215 1.00 1.00 C ATOM 0 H TRP A 77 -12.177 -3.771 -7.428 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.750 -2.293 -4.942 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.116 -0.727 -6.391 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.490 -2.214 -5.707 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.894 -2.809 -8.505 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.660 -3.524 -10.661 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.112 -1.737 -7.076 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -8.935 -3.604 -11.607 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.216 -2.137 -8.623 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.622 -3.069 -10.884 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.840 -0.146 -5.772 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.809 0.905 -6.194 1.00 1.00 C ATOM 1228 C VAL A 78 -14.256 2.292 -5.855 1.00 1.00 C ATOM 1229 O VAL A 78 -13.252 2.410 -5.181 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.078 0.622 -5.390 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.173 0.108 -6.326 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.781 -0.436 -4.325 1.00 1.00 C ATOM 0 H VAL A 78 -13.370 0.030 -4.884 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.998 0.889 -7.267 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.414 1.540 -4.908 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.077 -0.094 -5.752 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.385 0.861 -7.085 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.838 -0.810 -6.809 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.685 -0.638 -3.751 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.444 -1.354 -4.808 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -15.001 -0.071 -3.657 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.934 3.298 -6.334 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.505 4.694 -6.074 1.00 1.00 C ATOM 1244 C PRO A 79 -14.371 4.932 -4.567 1.00 1.00 C ATOM 1245 O PRO A 79 -15.347 4.953 -3.844 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.630 5.545 -6.662 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.353 4.647 -7.618 1.00 1.00 C ATOM 1248 CD PRO A 79 -16.149 3.231 -7.149 1.00 1.00 C ATOM 0 HA PRO A 79 -13.535 4.931 -6.512 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -16.299 5.906 -5.880 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -15.233 6.423 -7.172 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.415 4.892 -7.647 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.969 4.775 -8.630 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -17.000 2.877 -6.568 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -16.029 2.546 -7.988 1.00 1.00 H new ATOM 1256 N LEU A 80 -13.170 5.107 -4.086 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.975 5.339 -2.626 1.00 1.00 C ATOM 1258 C LEU A 80 -13.913 6.441 -2.128 1.00 1.00 C ATOM 1259 O LEU A 80 -14.363 6.421 -0.998 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.516 5.774 -2.487 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.327 6.514 -1.162 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -10.937 5.515 -0.070 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -10.219 7.558 -1.315 1.00 1.00 C ATOM 0 H LEU A 80 -12.315 5.099 -4.642 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.196 4.449 -2.036 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.861 4.904 -2.526 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -11.237 6.420 -3.319 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.258 7.009 -0.887 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.802 6.042 0.874 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.725 4.770 0.040 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -10.006 5.020 -0.345 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -10.084 8.086 -0.371 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.288 7.063 -1.591 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -10.495 8.270 -2.093 1.00 1.00 H new ATOM 1275 N ASN A 81 -14.219 7.400 -2.961 1.00 1.00 N ATOM 1276 CA ASN A 81 -15.134 8.497 -2.530 1.00 1.00 C ATOM 1277 C ASN A 81 -16.524 7.930 -2.242 1.00 1.00 C ATOM 1278 O ASN A 81 -17.214 8.374 -1.346 1.00 1.00 O ATOM 1279 CB ASN A 81 -15.183 9.463 -3.716 1.00 1.00 C ATOM 1280 CG ASN A 81 -15.654 10.837 -3.235 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -16.505 10.933 -2.374 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -15.132 11.912 -3.759 1.00 1.00 N ATOM 0 H ASN A 81 -13.876 7.471 -3.919 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.793 8.991 -1.620 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.197 9.544 -4.174 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.859 9.082 -4.481 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -15.439 12.833 -3.445 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.417 11.831 -4.482 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.935 6.944 -2.990 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.274 6.337 -2.757 1.00 1.00 C ATOM 1291 C ILE A 82 -18.118 5.033 -1.974 1.00 1.00 C ATOM 1292 O ILE A 82 -18.972 4.653 -1.198 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.837 6.065 -4.151 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -20.285 5.587 -4.030 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.000 4.983 -4.837 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -21.170 6.387 -4.988 1.00 1.00 C ATOM 0 H ILE A 82 -16.400 6.532 -3.754 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.932 6.985 -2.178 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.803 6.980 -4.742 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.348 4.524 -4.262 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -20.635 5.711 -3.005 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -18.401 4.789 -5.832 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -16.967 5.321 -4.922 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -18.034 4.067 -4.247 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -22.202 6.046 -4.901 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -21.116 7.446 -4.735 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.824 6.240 -6.011 1.00 1.00 H new ATOM 1308 N ALA A 83 -17.024 4.346 -2.170 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.808 3.069 -1.436 1.00 1.00 C ATOM 1310 C ALA A 83 -16.725 3.339 0.068 1.00 1.00 C ATOM 1311 O ALA A 83 -17.497 2.813 0.844 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.477 2.531 -1.960 1.00 1.00 C ATOM 0 H ALA A 83 -16.273 4.615 -2.806 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.620 2.359 -1.589 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.246 1.587 -1.466 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.548 2.369 -3.036 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.686 3.252 -1.753 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.795 4.156 0.488 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.671 4.451 1.944 1.00 1.00 C ATOM 1320 C LYS A 84 -16.993 4.994 2.490 1.00 1.00 C ATOM 1321 O LYS A 84 -17.316 4.815 3.647 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.576 5.513 2.040 1.00 1.00 C ATOM 1323 CG LYS A 84 -15.215 6.895 2.191 1.00 1.00 C ATOM 1324 CD LYS A 84 -14.133 7.972 2.102 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.485 8.161 3.475 1.00 1.00 C ATOM 1326 NZ LYS A 84 -13.296 9.632 3.611 1.00 1.00 N ATOM 0 H LYS A 84 -15.119 4.629 -0.112 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.430 3.561 2.526 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.928 5.306 2.891 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.950 5.486 1.148 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.961 7.049 1.411 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.734 6.965 3.147 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -13.379 7.685 1.369 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -14.568 8.912 1.761 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -14.121 7.769 4.269 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.534 7.633 3.539 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.855 9.842 4.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.681 9.975 2.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -14.219 10.107 3.553 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.764 5.652 1.669 1.00 1.00 N ATOM 1340 CA GLN A 85 -19.065 6.196 2.150 1.00 1.00 C ATOM 1341 C GLN A 85 -20.062 5.055 2.358 1.00 1.00 C ATOM 1342 O GLN A 85 -20.919 5.115 3.217 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.540 7.133 1.040 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.844 7.809 1.465 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.845 7.766 0.308 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.732 8.592 0.225 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -21.738 6.831 -0.595 1.00 1.00 N ATOM 0 H GLN A 85 -17.550 5.836 0.689 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.972 6.716 3.103 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.779 7.885 0.834 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.692 6.573 0.117 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.259 7.305 2.338 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.652 8.842 1.755 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -20.993 6.138 -0.525 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -22.399 6.793 -1.371 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.950 4.014 1.582 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.884 2.864 1.741 1.00 1.00 C ATOM 1358 C LEU A 86 -20.345 1.896 2.796 1.00 1.00 C ATOM 1359 O LEU A 86 -21.090 1.316 3.561 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.927 2.195 0.370 1.00 1.00 C ATOM 1361 CG LEU A 86 -22.350 1.713 0.080 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -23.287 2.918 -0.012 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.368 0.952 -1.248 1.00 1.00 C ATOM 0 H LEU A 86 -19.253 3.909 0.845 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.875 3.176 2.070 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.606 2.898 -0.399 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -20.234 1.354 0.342 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.682 1.054 0.883 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -24.301 2.576 -0.219 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -23.273 3.463 0.932 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -22.956 3.576 -0.815 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.381 0.608 -1.456 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.037 1.612 -2.050 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.699 0.094 -1.185 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.053 1.718 2.842 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.462 0.789 3.847 1.00 1.00 C ATOM 1377 C ALA A 87 -18.198 1.527 5.162 1.00 1.00 C ATOM 1378 O ALA A 87 -18.721 1.173 6.200 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.147 0.315 3.227 1.00 1.00 C ATOM 0 H ALA A 87 -18.381 2.176 2.227 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.127 -0.043 4.078 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.651 -0.375 3.910 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.351 -0.192 2.284 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.500 1.173 3.045 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.388 2.550 5.126 1.00 1.00 N ATOM 1386 CA GLU A 88 -17.085 3.310 6.368 1.00 1.00 C ATOM 1387 C GLU A 88 -18.348 3.478 7.213 1.00 1.00 C ATOM 1388 O GLU A 88 -18.284 3.658 8.412 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.577 4.662 5.879 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.648 5.729 6.114 1.00 1.00 C ATOM 1391 CD GLU A 88 -17.512 6.829 5.059 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -16.394 7.252 4.813 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -18.527 7.228 4.514 1.00 1.00 O ATOM 0 H GLU A 88 -16.922 2.892 4.285 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.356 2.802 6.999 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.661 4.930 6.406 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.331 4.607 4.819 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.640 5.281 6.062 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.541 6.153 7.113 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.496 3.407 6.600 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.760 3.547 7.375 1.00 1.00 C ATOM 1402 C LYS A 89 -20.949 2.326 8.278 1.00 1.00 C ATOM 1403 O LYS A 89 -20.356 2.221 9.333 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.867 3.615 6.322 1.00 1.00 C ATOM 1405 CG LYS A 89 -23.201 3.926 7.002 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.370 5.442 7.126 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.130 5.866 8.577 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.315 6.694 8.935 1.00 1.00 N ATOM 0 H LYS A 89 -19.614 3.258 5.598 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.761 4.427 8.018 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.635 4.383 5.585 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.932 2.668 5.786 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -24.023 3.504 6.424 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.235 3.464 7.989 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -22.668 5.952 6.466 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -24.372 5.734 6.812 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.041 5.000 9.232 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -22.206 6.436 8.674 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -24.225 7.023 9.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -24.370 7.515 8.299 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.179 6.123 8.839 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.768 1.399 7.864 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.996 0.176 8.686 1.00 1.00 C ATOM 1423 C PHE A 90 -21.365 -1.043 8.006 1.00 1.00 C ATOM 1424 O PHE A 90 -21.517 -2.162 8.453 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.515 0.024 8.759 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.936 -1.192 7.969 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.495 -2.464 8.354 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.768 -1.048 6.852 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.886 -3.591 7.623 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.159 -2.176 6.121 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.717 -3.448 6.505 1.00 1.00 C ATOM 0 H PHE A 90 -22.291 1.435 6.989 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.547 0.254 9.676 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.832 -0.075 9.797 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -24.000 0.915 8.362 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -22.853 -2.575 9.215 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.108 -0.067 6.555 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -23.547 -4.572 7.921 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -25.802 -2.065 5.260 1.00 1.00 H new ATOM 0 HZ PHE A 90 -25.017 -4.318 5.939 1.00 1.00 H new ATOM 1441 N SER A 91 -20.668 -0.835 6.922 1.00 1.00 N ATOM 1442 CA SER A 91 -20.038 -1.979 6.208 1.00 1.00 C ATOM 1443 C SER A 91 -18.818 -2.490 6.979 1.00 1.00 C ATOM 1444 O SER A 91 -18.897 -3.456 7.712 1.00 1.00 O ATOM 1445 CB SER A 91 -19.620 -1.421 4.852 1.00 1.00 C ATOM 1446 OG SER A 91 -19.560 -2.480 3.905 1.00 1.00 O ATOM 0 H SER A 91 -20.508 0.080 6.500 1.00 1.00 H new ATOM 0 HA SER A 91 -20.721 -2.823 6.109 1.00 1.00 H new ATOM 0 HB2 SER A 91 -20.331 -0.664 4.523 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.649 -0.933 4.931 1.00 1.00 H new ATOM 0 HG SER A 91 -18.819 -3.080 4.132 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.692 -1.844 6.830 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.472 -2.283 7.564 1.00 1.00 C ATOM 1454 C VAL A 92 -15.974 -1.145 8.459 1.00 1.00 C ATOM 1455 O VAL A 92 -14.885 -1.190 8.995 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.447 -2.604 6.476 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.371 -3.530 7.045 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.147 -3.297 5.306 1.00 1.00 C ATOM 0 H VAL A 92 -17.566 -1.029 6.230 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.656 -3.143 8.208 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.985 -1.680 6.129 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.640 -3.759 6.269 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -13.872 -3.038 7.880 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -14.833 -4.454 7.392 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.417 -3.526 4.530 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.609 -4.221 5.654 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.914 -2.638 4.899 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.773 -0.126 8.623 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.362 1.023 9.482 1.00 1.00 C ATOM 1470 C TYR A 93 -15.494 0.534 10.644 1.00 1.00 C ATOM 1471 O TYR A 93 -14.658 1.254 11.154 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.672 1.620 9.998 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.577 1.831 11.491 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -16.688 2.782 12.008 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -18.378 1.078 12.357 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -16.602 2.979 13.392 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -18.292 1.275 13.740 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.403 2.226 14.257 1.00 1.00 C ATOM 1479 OH TYR A 93 -17.317 2.419 15.621 1.00 1.00 O ATOM 0 H TYR A 93 -17.696 -0.039 8.198 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.769 1.756 8.935 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.874 2.568 9.498 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.503 0.954 9.766 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.069 3.363 11.340 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -19.063 0.344 11.958 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -15.917 3.712 13.791 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -18.911 0.694 14.408 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.941 1.817 16.077 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.686 -0.685 11.063 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.870 -1.223 12.189 1.00 1.00 C ATOM 1491 C ASP A 94 -13.605 -1.899 11.648 1.00 1.00 C ATOM 1492 O ASP A 94 -12.499 -1.554 12.015 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.772 -2.246 12.879 1.00 1.00 C ATOM 1494 CG ASP A 94 -16.822 -1.516 13.718 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -17.606 -0.781 13.141 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.824 -1.705 14.924 1.00 1.00 O ATOM 0 H ASP A 94 -16.372 -1.333 10.675 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.544 -0.441 12.874 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.259 -2.877 12.136 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.176 -2.903 13.513 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.764 -2.859 10.780 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.574 -3.562 10.216 1.00 1.00 C ATOM 1503 C GLN A 95 -11.683 -2.580 9.450 1.00 1.00 C ATOM 1504 O GLN A 95 -10.479 -2.740 9.392 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.150 -4.614 9.269 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.732 -6.009 9.738 1.00 1.00 C ATOM 1507 CD GLN A 95 -12.855 -6.094 11.260 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -12.198 -6.899 11.891 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -13.674 -5.291 11.883 1.00 1.00 N ATOM 0 H GLN A 95 -14.666 -3.188 10.436 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.953 -4.006 10.994 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.237 -4.538 9.243 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.794 -4.438 8.254 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -13.361 -6.766 9.269 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -11.706 -6.214 9.433 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -14.226 -4.615 11.355 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -13.762 -5.339 12.898 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.258 -1.568 8.860 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.432 -0.586 8.100 1.00 1.00 C ATOM 1520 C LEU A 96 -10.880 0.486 9.040 1.00 1.00 C ATOM 1521 O LEU A 96 -10.573 1.586 8.626 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.385 0.038 7.081 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.570 -0.898 6.842 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.870 -0.091 6.865 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.414 -1.574 5.477 1.00 1.00 C ATOM 0 H LEU A 96 -13.260 -1.379 8.871 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.575 -1.059 7.620 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.739 1.003 7.443 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.860 0.223 6.144 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.600 -1.656 7.624 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.715 -0.758 6.695 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.980 0.394 7.835 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.842 0.667 6.082 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.257 -2.242 5.303 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.386 -0.814 4.696 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.487 -2.147 5.459 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.742 0.178 10.301 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.199 1.186 11.253 1.00 1.00 C ATOM 1539 C LYS A 97 -8.723 1.444 10.945 1.00 1.00 C ATOM 1540 O LYS A 97 -8.224 2.535 11.141 1.00 1.00 O ATOM 1541 CB LYS A 97 -10.357 0.555 12.637 1.00 1.00 C ATOM 1542 CG LYS A 97 -9.106 0.833 13.472 1.00 1.00 C ATOM 1543 CD LYS A 97 -8.782 -0.390 14.331 1.00 1.00 C ATOM 1544 CE LYS A 97 -9.984 -0.724 15.218 1.00 1.00 C ATOM 1545 NZ LYS A 97 -9.548 -0.384 16.600 1.00 1.00 N ATOM 0 H LYS A 97 -10.981 -0.725 10.711 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.716 2.143 11.186 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -11.237 0.962 13.135 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -10.512 -0.520 12.542 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -8.265 1.065 12.819 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -9.266 1.704 14.107 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -8.539 -1.241 13.694 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -7.905 -0.193 14.948 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -10.862 -0.147 14.928 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -10.254 -1.777 15.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -10.320 -0.586 17.267 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -8.715 -0.954 16.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -9.304 0.626 16.648 1.00 1.00 H new ATOM 1558 N PRO A 98 -8.075 0.419 10.463 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.637 0.517 10.113 1.00 1.00 C ATOM 1560 C PRO A 98 -6.463 1.345 8.837 1.00 1.00 C ATOM 1561 O PRO A 98 -5.814 2.373 8.833 1.00 1.00 O ATOM 1562 CB PRO A 98 -6.231 -0.934 9.867 1.00 1.00 C ATOM 1563 CG PRO A 98 -7.501 -1.628 9.491 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.619 -0.918 10.206 1.00 1.00 C ATOM 0 HA PRO A 98 -6.037 1.001 10.884 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.490 -1.008 9.071 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.787 -1.377 10.759 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -7.652 -1.597 8.412 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -7.466 -2.679 9.778 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -9.520 -0.873 9.594 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.888 -1.426 11.132 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.046 0.906 7.754 1.00 1.00 N ATOM 1573 CA LEU A 99 -6.923 1.667 6.478 1.00 1.00 C ATOM 1574 C LEU A 99 -7.519 3.066 6.645 1.00 1.00 C ATOM 1575 O LEU A 99 -7.159 3.993 5.946 1.00 1.00 O ATOM 1576 CB LEU A 99 -7.722 0.859 5.457 1.00 1.00 C ATOM 1577 CG LEU A 99 -7.946 1.703 4.201 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -7.026 2.925 4.236 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -7.631 0.863 2.961 1.00 1.00 C ATOM 0 H LEU A 99 -7.602 0.053 7.698 1.00 1.00 H new ATOM 0 HA LEU A 99 -5.886 1.797 6.169 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.187 -0.056 5.203 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -8.680 0.560 5.883 1.00 1.00 H new ATOM 0 HG LEU A 99 -8.985 2.032 4.164 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -7.186 3.526 3.341 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -7.249 3.523 5.120 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -5.987 2.597 4.272 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -7.790 1.463 2.065 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -6.592 0.535 2.998 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -8.286 -0.008 2.935 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.425 3.226 7.571 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.039 4.566 7.786 1.00 1.00 C ATOM 1593 C PHE A 100 -8.151 5.406 8.708 1.00 1.00 C ATOM 1594 O PHE A 100 -8.173 6.620 8.672 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.387 4.283 8.451 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.469 4.234 7.399 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.401 3.288 6.369 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.539 5.135 7.453 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.404 3.243 5.393 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.542 5.089 6.478 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.474 4.143 5.448 1.00 1.00 C ATOM 0 H PHE A 100 -8.766 2.488 8.187 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.154 5.124 6.857 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.347 3.337 8.990 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.613 5.058 9.184 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.575 2.593 6.327 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.591 5.865 8.247 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.352 2.514 4.598 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.368 5.783 6.520 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.248 4.108 4.696 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.368 4.765 9.534 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.476 5.523 10.458 1.00 1.00 C ATOM 1613 C ASP A 101 -5.119 5.775 9.797 1.00 1.00 C ATOM 1614 O ASP A 101 -4.592 6.869 9.835 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.317 4.620 11.682 1.00 1.00 C ATOM 1616 CG ASP A 101 -7.546 4.760 12.583 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -7.920 5.884 12.872 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.090 3.738 12.970 1.00 1.00 O ATOM 0 H ASP A 101 -7.308 3.750 9.609 1.00 1.00 H new ATOM 0 HA ASP A 101 -6.886 6.498 10.720 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.199 3.583 11.369 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -5.416 4.891 12.233 1.00 1.00 H new ATOM 1805 N LYS A 116 7.592 3.962 -3.048 1.00 1.00 N ATOM 1806 CA LYS A 116 7.907 5.419 -3.018 1.00 1.00 C ATOM 1807 C LYS A 116 7.837 6.006 -4.430 1.00 1.00 C ATOM 1808 O LYS A 116 8.833 6.117 -5.117 1.00 1.00 O ATOM 1809 CB LYS A 116 9.333 5.505 -2.473 1.00 1.00 C ATOM 1810 CG LYS A 116 9.403 6.592 -1.397 1.00 1.00 C ATOM 1811 CD LYS A 116 10.501 7.595 -1.755 1.00 1.00 C ATOM 1812 CE LYS A 116 11.788 7.231 -1.010 1.00 1.00 C ATOM 1813 NZ LYS A 116 11.490 7.501 0.424 1.00 1.00 N ATOM 0 HA LYS A 116 7.201 5.980 -2.406 1.00 1.00 H new ATOM 0 HB2 LYS A 116 9.632 4.544 -2.054 1.00 1.00 H new ATOM 0 HB3 LYS A 116 10.029 5.732 -3.280 1.00 1.00 H new ATOM 0 HG2 LYS A 116 8.443 7.101 -1.317 1.00 1.00 H new ATOM 0 HG3 LYS A 116 9.608 6.144 -0.425 1.00 1.00 H new ATOM 0 HD2 LYS A 116 10.677 7.589 -2.831 1.00 1.00 H new ATOM 0 HD3 LYS A 116 10.187 8.604 -1.489 1.00 1.00 H new ATOM 0 HE2 LYS A 116 12.054 6.186 -1.168 1.00 1.00 H new ATOM 0 HE3 LYS A 116 12.629 7.830 -1.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 12.281 8.025 0.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 10.620 8.066 0.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 11.361 6.600 0.927 1.00 1.00 H new ATOM 1826 N HIS A 117 6.667 6.383 -4.868 1.00 1.00 N ATOM 1827 CA HIS A 117 6.535 6.963 -6.236 1.00 1.00 C ATOM 1828 C HIS A 117 5.843 8.327 -6.166 1.00 1.00 C ATOM 1829 O HIS A 117 4.980 8.554 -5.341 1.00 1.00 O ATOM 1830 CB HIS A 117 5.674 5.965 -7.009 1.00 1.00 C ATOM 1831 CG HIS A 117 5.522 6.431 -8.431 1.00 1.00 C ATOM 1832 ND1 HIS A 117 4.617 5.851 -9.306 1.00 1.00 N ATOM 1833 CD2 HIS A 117 6.152 7.419 -9.145 1.00 1.00 C ATOM 1834 CE1 HIS A 117 4.726 6.490 -10.485 1.00 1.00 C ATOM 1835 NE2 HIS A 117 5.648 7.455 -10.441 1.00 1.00 N ATOM 0 H HIS A 117 5.797 6.315 -4.339 1.00 1.00 H new ATOM 0 HA HIS A 117 7.502 7.121 -6.713 1.00 1.00 H new ATOM 0 HB2 HIS A 117 6.134 4.977 -6.986 1.00 1.00 H new ATOM 0 HB3 HIS A 117 4.695 5.872 -6.539 1.00 1.00 H new ATOM 0 HD1 HIS A 117 3.984 5.080 -9.095 1.00 1.00 H new ATOM 0 HD2 HIS A 117 6.922 8.070 -8.759 1.00 1.00 H new ATOM 0 HE1 HIS A 117 4.140 6.252 -11.360 1.00 1.00 H new ATOM 1843 N HIS A 118 6.214 9.237 -7.025 1.00 1.00 N ATOM 1844 CA HIS A 118 5.576 10.584 -7.005 1.00 1.00 C ATOM 1845 C HIS A 118 4.218 10.536 -7.710 1.00 1.00 C ATOM 1846 O HIS A 118 4.061 9.901 -8.733 1.00 1.00 O ATOM 1847 CB HIS A 118 6.544 11.493 -7.763 1.00 1.00 C ATOM 1848 CG HIS A 118 6.971 12.625 -6.870 1.00 1.00 C ATOM 1849 ND1 HIS A 118 6.541 12.734 -5.557 1.00 1.00 N ATOM 1850 CD2 HIS A 118 7.789 13.706 -7.086 1.00 1.00 C ATOM 1851 CE1 HIS A 118 7.096 13.843 -5.038 1.00 1.00 C ATOM 1852 NE2 HIS A 118 7.867 14.474 -5.928 1.00 1.00 N ATOM 0 H HIS A 118 6.931 9.106 -7.739 1.00 1.00 H new ATOM 0 HA HIS A 118 5.394 10.940 -5.991 1.00 1.00 H new ATOM 0 HB2 HIS A 118 7.415 10.924 -8.089 1.00 1.00 H new ATOM 0 HB3 HIS A 118 6.065 11.884 -8.661 1.00 1.00 H new ATOM 0 HD2 HIS A 118 8.295 13.927 -8.014 1.00 1.00 H new ATOM 0 HE1 HIS A 118 6.938 14.182 -4.025 1.00 1.00 H new ATOM 0 HE2 HIS A 118 8.398 15.333 -5.789 1.00 1.00 H new ATOM 1860 N HIS A 119 3.236 11.204 -7.169 1.00 1.00 N ATOM 1861 CA HIS A 119 1.888 11.195 -7.807 1.00 1.00 C ATOM 1862 C HIS A 119 1.920 11.977 -9.123 1.00 1.00 C ATOM 1863 O HIS A 119 2.592 12.983 -9.242 1.00 1.00 O ATOM 1864 CB HIS A 119 0.968 11.881 -6.798 1.00 1.00 C ATOM 1865 CG HIS A 119 1.548 13.216 -6.418 1.00 1.00 C ATOM 1866 ND1 HIS A 119 2.734 13.689 -6.960 1.00 1.00 N ATOM 1867 CD2 HIS A 119 1.118 14.190 -5.552 1.00 1.00 C ATOM 1868 CE1 HIS A 119 2.973 14.897 -6.418 1.00 1.00 C ATOM 1869 NE2 HIS A 119 2.020 15.251 -5.554 1.00 1.00 N ATOM 0 H HIS A 119 3.308 11.755 -6.314 1.00 1.00 H new ATOM 0 HA HIS A 119 1.551 10.186 -8.046 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -0.026 12.013 -7.227 1.00 1.00 H new ATOM 0 HB3 HIS A 119 0.853 11.257 -5.912 1.00 1.00 H new ATOM 0 HD1 HIS A 119 3.318 13.209 -7.644 1.00 1.00 H new ATOM 0 HD2 HIS A 119 0.217 14.141 -4.959 1.00 1.00 H new ATOM 0 HE1 HIS A 119 3.833 15.507 -6.654 1.00 1.00 H new ATOM 1877 N ALA A 120 1.200 11.523 -10.112 1.00 1.00 N ATOM 1878 CA ALA A 120 1.190 12.241 -11.419 1.00 1.00 C ATOM 1879 C ALA A 120 1.139 13.755 -11.190 1.00 1.00 C ATOM 1880 O ALA A 120 0.301 14.254 -10.464 1.00 1.00 O ATOM 1881 CB ALA A 120 -0.079 11.763 -12.124 1.00 1.00 C ATOM 0 H ALA A 120 0.618 10.686 -10.072 1.00 1.00 H new ATOM 0 HA ALA A 120 2.084 12.039 -12.008 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -0.159 12.248 -13.097 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -0.035 10.682 -12.259 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -0.949 12.018 -11.519 1.00 1.00 H new ATOM 1887 N SER A 121 2.027 14.488 -11.803 1.00 1.00 N ATOM 1888 CA SER A 121 2.028 15.968 -11.619 1.00 1.00 C ATOM 1889 C SER A 121 1.617 16.662 -12.920 1.00 1.00 C ATOM 1890 O SER A 121 2.377 16.729 -13.866 1.00 1.00 O ATOM 1891 CB SER A 121 3.468 16.321 -11.253 1.00 1.00 C ATOM 1892 OG SER A 121 3.948 17.318 -12.145 1.00 1.00 O ATOM 0 H SER A 121 2.752 14.127 -12.423 1.00 1.00 H new ATOM 0 HA SER A 121 1.324 16.290 -10.852 1.00 1.00 H new ATOM 0 HB2 SER A 121 3.516 16.682 -10.226 1.00 1.00 H new ATOM 0 HB3 SER A 121 4.098 15.433 -11.309 1.00 1.00 H new ATOM 0 HG SER A 121 3.898 16.985 -13.065 1.00 1.00 H new ATOM 1898 N LYS A 122 0.421 17.181 -12.975 1.00 1.00 N ATOM 1899 CA LYS A 122 -0.036 17.872 -14.214 1.00 1.00 C ATOM 1900 C LYS A 122 -0.175 19.376 -13.962 1.00 1.00 C ATOM 1901 O LYS A 122 -1.052 19.816 -13.244 1.00 1.00 O ATOM 1902 CB LYS A 122 -1.399 17.254 -14.533 1.00 1.00 C ATOM 1903 CG LYS A 122 -1.198 15.903 -15.222 1.00 1.00 C ATOM 1904 CD LYS A 122 -2.241 15.734 -16.327 1.00 1.00 C ATOM 1905 CE LYS A 122 -1.576 15.140 -17.572 1.00 1.00 C ATOM 1906 NZ LYS A 122 -1.212 16.315 -18.410 1.00 1.00 N ATOM 0 H LYS A 122 -0.259 17.156 -12.216 1.00 1.00 H new ATOM 0 HA LYS A 122 0.669 17.752 -15.037 1.00 1.00 H new ATOM 0 HB2 LYS A 122 -1.975 17.125 -13.617 1.00 1.00 H new ATOM 0 HB3 LYS A 122 -1.971 17.921 -15.178 1.00 1.00 H new ATOM 0 HG2 LYS A 122 -0.194 15.843 -15.643 1.00 1.00 H new ATOM 0 HG3 LYS A 122 -1.288 15.095 -14.496 1.00 1.00 H new ATOM 0 HD2 LYS A 122 -3.045 15.082 -15.986 1.00 1.00 H new ATOM 0 HD3 LYS A 122 -2.691 16.697 -16.567 1.00 1.00 H new ATOM 0 HE2 LYS A 122 -0.695 14.555 -17.308 1.00 1.00 H new ATOM 0 HE3 LYS A 122 -2.255 14.472 -18.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 -0.750 15.989 -19.283 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 -2.071 16.849 -18.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 -0.560 16.929 -17.882 1.00 1.00 H new ATOM 1919 N VAL A 123 0.682 20.167 -14.546 1.00 1.00 N ATOM 1920 CA VAL A 123 0.598 21.642 -14.339 1.00 1.00 C ATOM 1921 C VAL A 123 -0.451 22.247 -15.277 1.00 1.00 C ATOM 1922 O VAL A 123 -0.546 21.887 -16.433 1.00 1.00 O ATOM 1923 CB VAL A 123 1.991 22.170 -14.679 1.00 1.00 C ATOM 1924 CG1 VAL A 123 2.959 20.995 -14.830 1.00 1.00 C ATOM 1925 CG2 VAL A 123 1.932 22.952 -15.992 1.00 1.00 C ATOM 0 H VAL A 123 1.437 19.857 -15.158 1.00 1.00 H new ATOM 0 HA VAL A 123 0.302 21.901 -13.322 1.00 1.00 H new ATOM 0 HB VAL A 123 2.336 22.825 -13.879 1.00 1.00 H new ATOM 0 HG11 VAL A 123 3.953 21.371 -15.073 1.00 1.00 H new ATOM 0 HG12 VAL A 123 3.001 20.436 -13.895 1.00 1.00 H new ATOM 0 HG13 VAL A 123 2.614 20.340 -15.630 1.00 1.00 H new ATOM 0 HG21 VAL A 123 2.925 23.329 -16.236 1.00 1.00 H new ATOM 0 HG22 VAL A 123 1.587 22.296 -16.791 1.00 1.00 H new ATOM 0 HG23 VAL A 123 1.242 23.789 -15.886 1.00 1.00 H new ATOM 1935 N ASP A 124 -1.238 23.166 -14.787 1.00 1.00 N ATOM 1936 CA ASP A 124 -2.279 23.794 -15.650 1.00 1.00 C ATOM 1937 C ASP A 124 -1.623 24.517 -16.829 1.00 1.00 C ATOM 1938 O ASP A 124 -0.750 25.335 -16.585 1.00 1.00 O ATOM 1939 CB ASP A 124 -2.999 24.792 -14.741 1.00 1.00 C ATOM 1940 CG ASP A 124 -4.419 25.021 -15.258 1.00 1.00 C ATOM 1941 OD1 ASP A 124 -4.919 24.160 -15.963 1.00 1.00 O ATOM 1942 OD2 ASP A 124 -4.985 26.054 -14.940 1.00 1.00 O ATOM 0 H ASP A 124 -1.205 23.509 -13.827 1.00 1.00 H new ATOM 0 HA ASP A 124 -2.965 23.059 -16.071 1.00 1.00 H new ATOM 0 HB2 ASP A 124 -3.029 24.413 -13.719 1.00 1.00 H new ATOM 0 HB3 ASP A 124 -2.454 25.735 -14.715 1.00 1.00 H new