USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 39 ASN : amide:sc= -9.46! C(o=-15!,f=-16!) USER MOD Set 1.2: A 42 GLN : amide:sc= -5.19! C(o=-15!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0635 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -1:sc= 0.864! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 0.301 (180deg=0.0606) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -4.89! C(o=-4.9!,f=-5.1!) USER MOD Single : A 43 TYR OH : rot 113:sc= 0.756 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -99:sc= -0.77 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.0838 X(o=0.084,f=0) USER MOD Single : A 51 MET CE :methyl -166:sc= -1.05 (180deg=-1.62) USER MOD Single : A 52 MET CE :methyl 163:sc= -2.01 (180deg=-3.33) USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= -0.459 (180deg=-1.59!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= -0.0241 (180deg=-0.225) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.568 -3.261 28.768 1.00 0.00 N ATOM 2 CA GLY A 1 -5.752 -2.072 28.938 1.00 0.00 C ATOM 3 C GLY A 1 -6.241 -0.909 28.097 1.00 0.00 C ATOM 4 O GLY A 1 -7.377 -0.910 27.626 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.937 -3.564 29.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.362 -3.049 28.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.990 -4.023 28.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.752 -1.782 29.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.721 -2.302 28.671 1.00 0.00 H new ATOM 8 N SER A 2 -5.381 0.087 27.911 1.00 0.00 N ATOM 9 CA SER A 2 -5.732 1.264 27.126 1.00 0.00 C ATOM 10 C SER A 2 -5.666 0.960 25.632 1.00 0.00 C ATOM 11 O SER A 2 -4.628 1.141 24.996 1.00 0.00 O ATOM 12 CB SER A 2 -4.797 2.427 27.463 1.00 0.00 C ATOM 13 OG SER A 2 -5.090 2.962 28.742 1.00 0.00 O ATOM 0 H SER A 2 -4.436 0.102 28.294 1.00 0.00 H new ATOM 0 HA SER A 2 -6.755 1.546 27.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.762 2.085 27.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.895 3.207 26.708 1.00 0.00 H new ATOM 0 HG SER A 2 -4.478 3.703 28.935 1.00 0.00 H new ATOM 19 N SER A 3 -6.782 0.496 25.079 1.00 0.00 N ATOM 20 CA SER A 3 -6.852 0.164 23.661 1.00 0.00 C ATOM 21 C SER A 3 -7.487 1.300 22.866 1.00 0.00 C ATOM 22 O SER A 3 -8.640 1.664 23.096 1.00 0.00 O ATOM 23 CB SER A 3 -7.650 -1.126 23.457 1.00 0.00 C ATOM 24 OG SER A 3 -9.044 -0.877 23.515 1.00 0.00 O ATOM 0 H SER A 3 -7.650 0.341 25.592 1.00 0.00 H new ATOM 0 HA SER A 3 -5.835 0.016 23.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.396 -1.566 22.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.375 -1.852 24.222 1.00 0.00 H new ATOM 0 HG SER A 3 -9.199 0.075 23.686 1.00 0.00 H new ATOM 30 N GLY A 4 -6.726 1.857 21.930 1.00 0.00 N ATOM 31 CA GLY A 4 -7.231 2.948 21.115 1.00 0.00 C ATOM 32 C GLY A 4 -6.185 4.014 20.861 1.00 0.00 C ATOM 33 O GLY A 4 -6.327 5.152 21.306 1.00 0.00 O ATOM 0 H GLY A 4 -5.769 1.573 21.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.582 2.553 20.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.092 3.398 21.609 1.00 0.00 H new ATOM 37 N SER A 5 -5.128 3.645 20.142 1.00 0.00 N ATOM 38 CA SER A 5 -4.050 4.577 19.834 1.00 0.00 C ATOM 39 C SER A 5 -4.428 5.475 18.658 1.00 0.00 C ATOM 40 O SER A 5 -5.098 5.039 17.722 1.00 0.00 O ATOM 41 CB SER A 5 -2.764 3.814 19.514 1.00 0.00 C ATOM 42 OG SER A 5 -2.461 2.877 20.532 1.00 0.00 O ATOM 0 H SER A 5 -4.996 2.707 19.763 1.00 0.00 H new ATOM 0 HA SER A 5 -3.884 5.204 20.710 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.872 3.297 18.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.938 4.517 19.405 1.00 0.00 H new ATOM 0 HG SER A 5 -1.636 2.401 20.303 1.00 0.00 H new ATOM 48 N SER A 6 -3.992 6.728 18.715 1.00 0.00 N ATOM 49 CA SER A 6 -4.287 7.689 17.659 1.00 0.00 C ATOM 50 C SER A 6 -3.008 8.126 16.950 1.00 0.00 C ATOM 51 O SER A 6 -2.433 9.166 17.269 1.00 0.00 O ATOM 52 CB SER A 6 -5.007 8.909 18.236 1.00 0.00 C ATOM 53 OG SER A 6 -6.311 8.572 18.674 1.00 0.00 O ATOM 0 H SER A 6 -3.433 7.102 19.482 1.00 0.00 H new ATOM 0 HA SER A 6 -4.938 7.204 16.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.433 9.313 19.070 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.065 9.692 17.480 1.00 0.00 H new ATOM 0 HG SER A 6 -6.749 9.369 19.040 1.00 0.00 H new ATOM 59 N GLY A 7 -2.569 7.323 15.986 1.00 0.00 N ATOM 60 CA GLY A 7 -1.362 7.643 15.246 1.00 0.00 C ATOM 61 C GLY A 7 -1.274 6.898 13.929 1.00 0.00 C ATOM 62 O GLY A 7 -0.267 6.252 13.640 1.00 0.00 O ATOM 0 H GLY A 7 -3.027 6.457 15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.330 8.716 15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.491 7.401 15.855 1.00 0.00 H new ATOM 66 N ILE A 8 -2.332 6.986 13.130 1.00 0.00 N ATOM 67 CA ILE A 8 -2.370 6.314 11.836 1.00 0.00 C ATOM 68 C ILE A 8 -2.336 7.322 10.692 1.00 0.00 C ATOM 69 O ILE A 8 -2.940 8.391 10.774 1.00 0.00 O ATOM 70 CB ILE A 8 -3.627 5.436 11.695 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.681 4.399 12.818 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.646 4.753 10.336 1.00 0.00 C ATOM 73 CD1 ILE A 8 -4.181 4.956 14.133 1.00 0.00 C ATOM 0 H ILE A 8 -3.174 7.516 13.355 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.486 5.679 11.784 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.507 6.074 11.772 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.328 3.577 12.512 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.685 3.982 12.965 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.541 4.136 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.650 5.508 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.761 4.125 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.193 4.165 14.882 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.521 5.758 14.463 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.190 5.347 14.002 1.00 0.00 H new ATOM 85 N VAL A 9 -1.625 6.972 9.624 1.00 0.00 N ATOM 86 CA VAL A 9 -1.514 7.844 8.461 1.00 0.00 C ATOM 87 C VAL A 9 -1.597 7.044 7.165 1.00 0.00 C ATOM 88 O VAL A 9 -1.069 5.936 7.072 1.00 0.00 O ATOM 89 CB VAL A 9 -0.195 8.637 8.479 1.00 0.00 C ATOM 90 CG1 VAL A 9 0.986 7.717 8.211 1.00 0.00 C ATOM 91 CG2 VAL A 9 -0.240 9.769 7.462 1.00 0.00 C ATOM 0 H VAL A 9 -1.118 6.091 9.541 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.349 8.543 8.507 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.068 9.073 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.909 8.296 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.028 6.945 8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.869 7.250 7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.701 10.319 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.391 9.356 6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.062 10.443 7.704 1.00 0.00 H new ATOM 101 N LEU A 10 -2.261 7.615 6.166 1.00 0.00 N ATOM 102 CA LEU A 10 -2.413 6.955 4.873 1.00 0.00 C ATOM 103 C LEU A 10 -1.149 6.186 4.503 1.00 0.00 C ATOM 104 O LEU A 10 -1.209 5.166 3.817 1.00 0.00 O ATOM 105 CB LEU A 10 -2.733 7.985 3.789 1.00 0.00 C ATOM 106 CG LEU A 10 -3.919 8.908 4.070 1.00 0.00 C ATOM 107 CD1 LEU A 10 -4.005 10.002 3.016 1.00 0.00 C ATOM 108 CD2 LEU A 10 -5.215 8.112 4.123 1.00 0.00 C ATOM 0 H LEU A 10 -2.702 8.533 6.226 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.238 6.247 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.848 8.601 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.924 7.454 2.856 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.766 9.379 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.855 10.649 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.088 10.591 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.134 9.550 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.048 8.786 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.375 7.613 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.152 7.367 4.916 1.00 0.00 H new ATOM 120 N LEU A 11 -0.005 6.681 4.963 1.00 0.00 N ATOM 121 CA LEU A 11 1.274 6.039 4.682 1.00 0.00 C ATOM 122 C LEU A 11 1.398 4.718 5.435 1.00 0.00 C ATOM 123 O LEU A 11 1.761 3.694 4.856 1.00 0.00 O ATOM 124 CB LEU A 11 2.428 6.968 5.066 1.00 0.00 C ATOM 125 CG LEU A 11 3.711 6.819 4.247 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.414 5.515 4.589 1.00 0.00 C ATOM 127 CD2 LEU A 11 3.402 6.887 2.758 1.00 0.00 C ATOM 0 H LEU A 11 0.063 7.525 5.532 1.00 0.00 H new ATOM 0 HA LEU A 11 1.322 5.832 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.083 7.998 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.669 6.800 6.116 1.00 0.00 H new ATOM 0 HG LEU A 11 4.379 7.643 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.325 5.426 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.668 5.506 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.754 4.677 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.326 6.779 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.716 6.083 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.943 7.848 2.525 1.00 0.00 H new ATOM 139 N ARG A 12 1.091 4.748 6.728 1.00 0.00 N ATOM 140 CA ARG A 12 1.167 3.554 7.559 1.00 0.00 C ATOM 141 C ARG A 12 0.489 2.371 6.874 1.00 0.00 C ATOM 142 O ARG A 12 0.748 1.215 7.207 1.00 0.00 O ATOM 143 CB ARG A 12 0.515 3.810 8.919 1.00 0.00 C ATOM 144 CG ARG A 12 1.424 4.525 9.905 1.00 0.00 C ATOM 145 CD ARG A 12 2.376 3.557 10.588 1.00 0.00 C ATOM 146 NE ARG A 12 3.612 3.381 9.831 1.00 0.00 N ATOM 147 CZ ARG A 12 4.554 4.313 9.733 1.00 0.00 C ATOM 148 NH1 ARG A 12 4.401 5.481 10.340 1.00 0.00 N ATOM 149 NH2 ARG A 12 5.651 4.077 9.025 1.00 0.00 N ATOM 0 H ARG A 12 0.787 5.587 7.222 1.00 0.00 H new ATOM 0 HA ARG A 12 2.219 3.312 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.388 4.403 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.205 2.858 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.996 5.292 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.819 5.033 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.612 3.924 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.885 2.592 10.711 1.00 0.00 H new ATOM 0 HE ARG A 12 3.761 2.493 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.558 5.666 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.126 6.195 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.772 3.180 8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.374 4.793 8.950 1.00 0.00 H new ATOM 163 N GLY A 13 -0.381 2.669 5.913 1.00 0.00 N ATOM 164 CA GLY A 13 -1.083 1.620 5.196 1.00 0.00 C ATOM 165 C GLY A 13 -0.157 0.512 4.736 1.00 0.00 C ATOM 166 O GLY A 13 -0.603 -0.595 4.431 1.00 0.00 O ATOM 0 H GLY A 13 -0.612 3.618 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.856 1.199 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.587 2.050 4.331 1.00 0.00 H new ATOM 170 N LEU A 14 1.138 0.808 4.685 1.00 0.00 N ATOM 171 CA LEU A 14 2.130 -0.171 4.257 1.00 0.00 C ATOM 172 C LEU A 14 2.557 -1.058 5.422 1.00 0.00 C ATOM 173 O LEU A 14 2.444 -2.282 5.356 1.00 0.00 O ATOM 174 CB LEU A 14 3.352 0.536 3.667 1.00 0.00 C ATOM 175 CG LEU A 14 3.100 1.375 2.412 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.307 2.244 2.100 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.766 0.478 1.229 1.00 0.00 C ATOM 0 H LEU A 14 1.525 1.718 4.935 1.00 0.00 H new ATOM 0 HA LEU A 14 1.676 -0.800 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.778 1.184 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.104 -0.217 3.432 1.00 0.00 H new ATOM 0 HG LEU A 14 2.247 2.027 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.109 2.833 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.501 2.912 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.178 1.610 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.590 1.092 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.598 -0.200 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.870 -0.101 1.453 1.00 0.00 H new ATOM 189 N GLU A 15 3.047 -0.433 6.488 1.00 0.00 N ATOM 190 CA GLU A 15 3.489 -1.167 7.668 1.00 0.00 C ATOM 191 C GLU A 15 2.327 -1.923 8.305 1.00 0.00 C ATOM 192 O GLU A 15 2.513 -2.992 8.886 1.00 0.00 O ATOM 193 CB GLU A 15 4.110 -0.211 8.688 1.00 0.00 C ATOM 194 CG GLU A 15 5.597 0.021 8.479 1.00 0.00 C ATOM 195 CD GLU A 15 6.446 -1.110 9.025 1.00 0.00 C ATOM 196 OE1 GLU A 15 6.685 -2.085 8.282 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.871 -1.021 10.196 1.00 0.00 O ATOM 0 H GLU A 15 3.148 0.580 6.559 1.00 0.00 H new ATOM 0 HA GLU A 15 4.242 -1.890 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.591 0.746 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.950 -0.609 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.796 0.138 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.887 0.954 8.962 1.00 0.00 H new ATOM 204 N CYS A 16 1.129 -1.360 8.193 1.00 0.00 N ATOM 205 CA CYS A 16 -0.064 -1.978 8.759 1.00 0.00 C ATOM 206 C CYS A 16 -0.177 -3.437 8.325 1.00 0.00 C ATOM 207 O CYS A 16 -0.369 -4.327 9.153 1.00 0.00 O ATOM 208 CB CYS A 16 -1.315 -1.209 8.333 1.00 0.00 C ATOM 209 SG CYS A 16 -1.656 0.256 9.336 1.00 0.00 S ATOM 0 H CYS A 16 0.958 -0.475 7.715 1.00 0.00 H new ATOM 0 HA CYS A 16 0.020 -1.945 9.845 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.206 -0.906 7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.174 -1.878 8.382 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.731 0.841 8.898 1.00 0.00 H new ATOM 215 N ILE A 17 -0.061 -3.672 7.023 1.00 0.00 N ATOM 216 CA ILE A 17 -0.151 -5.022 6.480 1.00 0.00 C ATOM 217 C ILE A 17 1.087 -5.840 6.831 1.00 0.00 C ATOM 218 O ILE A 17 2.216 -5.389 6.640 1.00 0.00 O ATOM 219 CB ILE A 17 -0.322 -5.002 4.948 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.716 -4.078 4.309 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.730 -4.562 4.579 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.782 -4.196 2.803 1.00 0.00 C ATOM 0 H ILE A 17 0.095 -2.946 6.324 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.029 -5.485 6.930 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.166 -6.011 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.485 -3.046 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.697 -4.303 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.836 -4.553 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.452 -5.256 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.913 -3.561 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.539 -3.513 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.043 -5.218 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.188 -3.942 2.375 1.00 0.00 H new ATOM 234 N ASN A 18 0.867 -7.045 7.345 1.00 0.00 N ATOM 235 CA ASN A 18 1.966 -7.927 7.722 1.00 0.00 C ATOM 236 C ASN A 18 2.929 -8.126 6.556 1.00 0.00 C ATOM 237 O ASN A 18 2.509 -8.320 5.415 1.00 0.00 O ATOM 238 CB ASN A 18 1.423 -9.281 8.187 1.00 0.00 C ATOM 239 CG ASN A 18 0.370 -9.142 9.269 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.829 -9.218 8.998 1.00 0.00 O ATOM 241 ND2 ASN A 18 0.813 -8.934 10.503 1.00 0.00 N ATOM 0 H ASN A 18 -0.062 -7.433 7.510 1.00 0.00 H new ATOM 0 HA ASN A 18 2.510 -7.459 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.996 -9.810 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.246 -9.890 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.151 -8.830 11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.816 -8.878 10.682 1.00 0.00 H new ATOM 248 N LYS A 19 4.224 -8.077 6.851 1.00 0.00 N ATOM 249 CA LYS A 19 5.249 -8.253 5.829 1.00 0.00 C ATOM 250 C LYS A 19 4.800 -9.261 4.776 1.00 0.00 C ATOM 251 O LYS A 19 5.074 -9.096 3.587 1.00 0.00 O ATOM 252 CB LYS A 19 6.560 -8.716 6.468 1.00 0.00 C ATOM 253 CG LYS A 19 7.783 -8.448 5.608 1.00 0.00 C ATOM 254 CD LYS A 19 8.012 -9.563 4.601 1.00 0.00 C ATOM 255 CE LYS A 19 8.787 -10.718 5.216 1.00 0.00 C ATOM 256 NZ LYS A 19 8.734 -11.938 4.364 1.00 0.00 N ATOM 0 H LYS A 19 4.588 -7.917 7.790 1.00 0.00 H new ATOM 0 HA LYS A 19 5.409 -7.292 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.684 -8.214 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.497 -9.785 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.659 -7.501 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.662 -8.346 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.052 -9.923 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.558 -9.173 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.826 -10.422 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.379 -10.945 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.274 -12.702 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.745 -12.236 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.146 -11.729 3.432 1.00 0.00 H new ATOM 270 N HIS A 20 4.107 -10.305 5.220 1.00 0.00 N ATOM 271 CA HIS A 20 3.618 -11.339 4.315 1.00 0.00 C ATOM 272 C HIS A 20 2.976 -10.718 3.077 1.00 0.00 C ATOM 273 O HIS A 20 3.408 -10.966 1.951 1.00 0.00 O ATOM 274 CB HIS A 20 2.609 -12.237 5.031 1.00 0.00 C ATOM 275 CG HIS A 20 1.701 -12.979 4.099 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.000 -14.226 3.592 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.495 -12.644 3.584 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.017 -14.626 2.804 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.091 -13.684 2.782 1.00 0.00 N ATOM 0 H HIS A 20 3.872 -10.457 6.201 1.00 0.00 H new ATOM 0 HA HIS A 20 4.469 -11.942 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.148 -12.955 5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.006 -11.628 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.049 -11.729 3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.978 -15.563 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.782 -13.722 2.255 1.00 0.00 H new ATOM 288 N TYR A 21 1.943 -9.912 3.294 1.00 0.00 N ATOM 289 CA TYR A 21 1.240 -9.258 2.197 1.00 0.00 C ATOM 290 C TYR A 21 2.128 -8.217 1.524 1.00 0.00 C ATOM 291 O TYR A 21 2.247 -8.182 0.300 1.00 0.00 O ATOM 292 CB TYR A 21 -0.043 -8.600 2.705 1.00 0.00 C ATOM 293 CG TYR A 21 -1.235 -9.530 2.723 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.550 -10.308 1.616 1.00 0.00 C ATOM 295 CD2 TYR A 21 -2.048 -9.629 3.846 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.639 -11.158 1.627 1.00 0.00 C ATOM 297 CE2 TYR A 21 -3.138 -10.477 3.866 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.429 -11.240 2.754 1.00 0.00 C ATOM 299 OH TYR A 21 -4.515 -12.086 2.771 1.00 0.00 O ATOM 0 H TYR A 21 1.574 -9.696 4.220 1.00 0.00 H new ATOM 0 HA TYR A 21 0.982 -10.019 1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.127 -8.222 3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.274 -7.740 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.933 -10.247 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.824 -9.033 4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.870 -11.755 0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.759 -10.542 4.747 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.964 -12.025 3.640 1.00 0.00 H new ATOM 309 N PHE A 22 2.751 -7.368 2.335 1.00 0.00 N ATOM 310 CA PHE A 22 3.629 -6.323 1.820 1.00 0.00 C ATOM 311 C PHE A 22 4.526 -6.864 0.712 1.00 0.00 C ATOM 312 O PHE A 22 4.729 -6.212 -0.312 1.00 0.00 O ATOM 313 CB PHE A 22 4.484 -5.745 2.949 1.00 0.00 C ATOM 314 CG PHE A 22 5.439 -4.680 2.492 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.981 -3.574 1.793 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.795 -4.784 2.760 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.858 -2.591 1.371 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.675 -3.804 2.340 1.00 0.00 C ATOM 319 CZ PHE A 22 7.206 -2.707 1.645 1.00 0.00 C ATOM 0 H PHE A 22 2.664 -7.383 3.351 1.00 0.00 H new ATOM 0 HA PHE A 22 3.006 -5.531 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.828 -5.330 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.049 -6.552 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.927 -3.479 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.168 -5.640 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.489 -1.734 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.729 -3.896 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.893 -1.941 1.316 1.00 0.00 H new ATOM 329 N SER A 23 5.063 -8.062 0.925 1.00 0.00 N ATOM 330 CA SER A 23 5.943 -8.690 -0.053 1.00 0.00 C ATOM 331 C SER A 23 5.283 -8.736 -1.428 1.00 0.00 C ATOM 332 O SER A 23 5.938 -8.534 -2.451 1.00 0.00 O ATOM 333 CB SER A 23 6.311 -10.106 0.396 1.00 0.00 C ATOM 334 OG SER A 23 7.594 -10.474 -0.079 1.00 0.00 O ATOM 0 H SER A 23 4.904 -8.616 1.766 1.00 0.00 H new ATOM 0 HA SER A 23 6.851 -8.091 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.293 -10.162 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.567 -10.813 0.028 1.00 0.00 H new ATOM 0 HG SER A 23 7.807 -11.382 0.223 1.00 0.00 H new ATOM 340 N LEU A 24 3.982 -9.002 -1.443 1.00 0.00 N ATOM 341 CA LEU A 24 3.231 -9.075 -2.692 1.00 0.00 C ATOM 342 C LEU A 24 3.158 -7.708 -3.363 1.00 0.00 C ATOM 343 O LEU A 24 3.377 -7.584 -4.570 1.00 0.00 O ATOM 344 CB LEU A 24 1.818 -9.603 -2.430 1.00 0.00 C ATOM 345 CG LEU A 24 1.696 -11.112 -2.215 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.843 -11.454 -0.740 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.366 -11.621 -2.752 1.00 0.00 C ATOM 0 H LEU A 24 3.425 -9.171 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 24 3.751 -9.761 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.420 -9.097 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.185 -9.324 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 24 2.499 -11.604 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.753 -12.532 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.820 -11.124 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.061 -10.951 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.296 -12.697 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.451 -11.122 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.299 -11.409 -3.819 1.00 0.00 H new ATOM 359 N PHE A 25 2.852 -6.682 -2.576 1.00 0.00 N ATOM 360 CA PHE A 25 2.752 -5.324 -3.095 1.00 0.00 C ATOM 361 C PHE A 25 4.022 -4.932 -3.844 1.00 0.00 C ATOM 362 O PHE A 25 3.963 -4.352 -4.929 1.00 0.00 O ATOM 363 CB PHE A 25 2.496 -4.337 -1.953 1.00 0.00 C ATOM 364 CG PHE A 25 2.166 -2.949 -2.422 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.288 -2.750 -3.475 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.736 -1.843 -1.812 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.983 -1.473 -3.910 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.434 -0.565 -2.242 1.00 0.00 C ATOM 369 CZ PHE A 25 1.557 -0.380 -3.292 1.00 0.00 C ATOM 0 H PHE A 25 2.669 -6.766 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 25 1.915 -5.289 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.676 -4.709 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.378 -4.296 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.837 -3.602 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.424 -1.981 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.297 -1.331 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.884 0.289 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.320 0.618 -3.629 1.00 0.00 H new ATOM 379 N LYS A 26 5.170 -5.254 -3.259 1.00 0.00 N ATOM 380 CA LYS A 26 6.456 -4.939 -3.870 1.00 0.00 C ATOM 381 C LYS A 26 6.598 -5.625 -5.225 1.00 0.00 C ATOM 382 O LYS A 26 7.181 -5.068 -6.155 1.00 0.00 O ATOM 383 CB LYS A 26 7.600 -5.367 -2.948 1.00 0.00 C ATOM 384 CG LYS A 26 8.022 -4.290 -1.962 1.00 0.00 C ATOM 385 CD LYS A 26 9.137 -4.774 -1.052 1.00 0.00 C ATOM 386 CE LYS A 26 8.651 -5.858 -0.102 1.00 0.00 C ATOM 387 NZ LYS A 26 9.751 -6.380 0.756 1.00 0.00 N ATOM 0 H LYS A 26 5.237 -5.734 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 26 6.503 -3.861 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.296 -6.256 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.460 -5.648 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.354 -3.406 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.164 -3.990 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.959 -5.159 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.529 -3.935 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.857 -5.458 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.219 -6.677 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.555 -7.370 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.651 -6.326 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.816 -5.809 1.623 1.00 0.00 H new ATOM 401 N SER A 27 6.058 -6.834 -5.330 1.00 0.00 N ATOM 402 CA SER A 27 6.126 -7.597 -6.571 1.00 0.00 C ATOM 403 C SER A 27 5.318 -6.916 -7.672 1.00 0.00 C ATOM 404 O SER A 27 5.714 -6.916 -8.838 1.00 0.00 O ATOM 405 CB SER A 27 5.610 -9.020 -6.349 1.00 0.00 C ATOM 406 OG SER A 27 5.956 -9.863 -7.434 1.00 0.00 O ATOM 0 H SER A 27 5.568 -7.307 -4.571 1.00 0.00 H new ATOM 0 HA SER A 27 7.169 -7.642 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.027 -9.421 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.527 -9.003 -6.229 1.00 0.00 H new ATOM 0 HG SER A 27 5.616 -10.767 -7.267 1.00 0.00 H new ATOM 412 N LEU A 28 4.185 -6.337 -7.293 1.00 0.00 N ATOM 413 CA LEU A 28 3.319 -5.652 -8.246 1.00 0.00 C ATOM 414 C LEU A 28 3.916 -4.309 -8.655 1.00 0.00 C ATOM 415 O LEU A 28 3.702 -3.837 -9.773 1.00 0.00 O ATOM 416 CB LEU A 28 1.928 -5.443 -7.645 1.00 0.00 C ATOM 417 CG LEU A 28 1.254 -6.688 -7.067 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.104 -6.296 -6.153 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.761 -7.595 -8.186 1.00 0.00 C ATOM 0 H LEU A 28 3.844 -6.328 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 28 3.233 -6.277 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.004 -4.695 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.279 -5.028 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 28 1.990 -7.236 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.364 -7.195 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.483 -5.686 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.633 -5.726 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.284 -8.476 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.040 -7.056 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.605 -7.904 -8.803 1.00 0.00 H new ATOM 431 N LEU A 29 4.665 -3.699 -7.744 1.00 0.00 N ATOM 432 CA LEU A 29 5.295 -2.410 -8.011 1.00 0.00 C ATOM 433 C LEU A 29 6.697 -2.597 -8.582 1.00 0.00 C ATOM 434 O LEU A 29 7.234 -1.706 -9.240 1.00 0.00 O ATOM 435 CB LEU A 29 5.362 -1.577 -6.728 1.00 0.00 C ATOM 436 CG LEU A 29 4.161 -0.671 -6.454 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.876 0.215 -7.657 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.936 -1.500 -6.097 1.00 0.00 C ATOM 0 H LEU A 29 4.851 -4.075 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 29 4.689 -1.883 -8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.480 -2.256 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.258 -0.958 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 29 4.400 -0.031 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.018 0.853 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.747 0.836 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.658 -0.408 -8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.092 -0.838 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.694 -2.167 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.144 -2.090 -5.205 1.00 0.00 H new ATOM 450 N ALA A 30 7.284 -3.761 -8.326 1.00 0.00 N ATOM 451 CA ALA A 30 8.621 -4.067 -8.819 1.00 0.00 C ATOM 452 C ALA A 30 8.864 -3.427 -10.181 1.00 0.00 C ATOM 453 O ALA A 30 9.879 -2.763 -10.395 1.00 0.00 O ATOM 454 CB ALA A 30 8.824 -5.573 -8.898 1.00 0.00 C ATOM 0 H ALA A 30 6.855 -4.508 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 30 9.343 -3.651 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.827 -5.786 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.703 -6.009 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.088 -6.004 -9.576 1.00 0.00 H new ATOM 460 N ARG A 31 7.927 -3.631 -11.102 1.00 0.00 N ATOM 461 CA ARG A 31 8.041 -3.075 -12.445 1.00 0.00 C ATOM 462 C ARG A 31 8.165 -1.554 -12.395 1.00 0.00 C ATOM 463 O ARG A 31 9.180 -0.991 -12.805 1.00 0.00 O ATOM 464 CB ARG A 31 6.827 -3.470 -13.288 1.00 0.00 C ATOM 465 CG ARG A 31 5.574 -3.731 -12.468 1.00 0.00 C ATOM 466 CD ARG A 31 5.459 -5.196 -12.075 1.00 0.00 C ATOM 467 NE ARG A 31 4.751 -5.979 -13.085 1.00 0.00 N ATOM 468 CZ ARG A 31 3.450 -5.862 -13.325 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.719 -4.999 -12.633 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.877 -6.610 -14.259 1.00 0.00 N ATOM 0 H ARG A 31 7.081 -4.177 -10.942 1.00 0.00 H new ATOM 0 HA ARG A 31 8.942 -3.482 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.621 -2.677 -14.007 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.069 -4.365 -13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.590 -3.113 -11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.695 -3.437 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.456 -5.611 -11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.936 -5.276 -11.122 1.00 0.00 H new ATOM 0 HE ARG A 31 5.285 -6.652 -13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.156 -4.422 -11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.720 -4.912 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.436 -7.275 -14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.878 -6.520 -14.443 1.00 0.00 H new ATOM 484 N ASP A 32 7.126 -0.898 -11.892 1.00 0.00 N ATOM 485 CA ASP A 32 7.119 0.557 -11.788 1.00 0.00 C ATOM 486 C ASP A 32 8.327 1.052 -10.999 1.00 0.00 C ATOM 487 O ASP A 32 9.164 1.790 -11.522 1.00 0.00 O ATOM 488 CB ASP A 32 5.828 1.036 -11.121 1.00 0.00 C ATOM 489 CG ASP A 32 4.601 0.750 -11.964 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.553 1.219 -13.121 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.688 0.059 -11.467 1.00 0.00 O ATOM 0 H ASP A 32 6.278 -1.350 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 32 7.173 0.968 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.721 0.549 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.895 2.108 -10.934 1.00 0.00 H new ATOM 496 N LEU A 33 8.413 0.641 -9.739 1.00 0.00 N ATOM 497 CA LEU A 33 9.519 1.043 -8.877 1.00 0.00 C ATOM 498 C LEU A 33 10.838 0.464 -9.378 1.00 0.00 C ATOM 499 O LEU A 33 11.911 0.839 -8.907 1.00 0.00 O ATOM 500 CB LEU A 33 9.261 0.589 -7.439 1.00 0.00 C ATOM 501 CG LEU A 33 8.146 1.321 -6.692 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.045 0.822 -5.259 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.383 2.824 -6.721 1.00 0.00 C ATOM 0 H LEU A 33 7.730 0.030 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 33 9.590 2.130 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.024 -0.475 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.185 0.702 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 33 7.201 1.112 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.246 1.355 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.827 -0.246 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.990 0.999 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.580 3.329 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.337 3.051 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.402 3.169 -7.755 1.00 0.00 H new ATOM 515 N ASN A 34 10.750 -0.453 -10.335 1.00 0.00 N ATOM 516 CA ASN A 34 11.937 -1.084 -10.902 1.00 0.00 C ATOM 517 C ASN A 34 12.783 -1.728 -9.808 1.00 0.00 C ATOM 518 O ASN A 34 14.013 -1.700 -9.862 1.00 0.00 O ATOM 519 CB ASN A 34 12.770 -0.055 -11.667 1.00 0.00 C ATOM 520 CG ASN A 34 12.142 0.327 -12.994 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.001 0.788 -13.043 1.00 0.00 O ATOM 522 ND2 ASN A 34 12.884 0.137 -14.078 1.00 0.00 N ATOM 0 H ASN A 34 9.869 -0.776 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 34 11.611 -1.863 -11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.890 0.839 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.768 -0.458 -11.843 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.514 0.376 -14.998 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.825 -0.248 -13.991 1.00 0.00 H new ATOM 529 N LEU A 35 12.117 -2.310 -8.818 1.00 0.00 N ATOM 530 CA LEU A 35 12.808 -2.964 -7.711 1.00 0.00 C ATOM 531 C LEU A 35 13.594 -4.177 -8.200 1.00 0.00 C ATOM 532 O LEU A 35 13.320 -4.714 -9.272 1.00 0.00 O ATOM 533 CB LEU A 35 11.804 -3.390 -6.638 1.00 0.00 C ATOM 534 CG LEU A 35 10.843 -2.307 -6.150 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.661 -2.929 -5.424 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.565 -1.319 -5.246 1.00 0.00 C ATOM 0 H LEU A 35 11.099 -2.343 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 35 13.510 -2.250 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.216 -4.220 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.359 -3.769 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 35 10.467 -1.766 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.988 -2.142 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.127 -3.595 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.019 -3.496 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.864 -0.555 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.971 -1.846 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.378 -0.847 -5.798 1.00 0.00 H new ATOM 548 N GLU A 36 14.569 -4.603 -7.404 1.00 0.00 N ATOM 549 CA GLU A 36 15.392 -5.754 -7.755 1.00 0.00 C ATOM 550 C GLU A 36 14.672 -7.059 -7.429 1.00 0.00 C ATOM 551 O GLU A 36 14.640 -7.492 -6.277 1.00 0.00 O ATOM 552 CB GLU A 36 16.730 -5.698 -7.014 1.00 0.00 C ATOM 553 CG GLU A 36 17.679 -4.640 -7.549 1.00 0.00 C ATOM 554 CD GLU A 36 18.656 -4.147 -6.500 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.205 -3.510 -5.524 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.869 -4.397 -6.653 1.00 0.00 O ATOM 0 H GLU A 36 14.808 -4.169 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 36 15.578 -5.721 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.543 -5.505 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.213 -6.673 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.234 -5.049 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.101 -3.796 -7.926 1.00 0.00 H new ATOM 563 N ARG A 37 14.094 -7.681 -8.452 1.00 0.00 N ATOM 564 CA ARG A 37 13.372 -8.935 -8.275 1.00 0.00 C ATOM 565 C ARG A 37 14.126 -9.868 -7.332 1.00 0.00 C ATOM 566 O ARG A 37 13.533 -10.751 -6.711 1.00 0.00 O ATOM 567 CB ARG A 37 13.160 -9.622 -9.626 1.00 0.00 C ATOM 568 CG ARG A 37 14.419 -10.262 -10.187 1.00 0.00 C ATOM 569 CD ARG A 37 15.196 -9.292 -11.063 1.00 0.00 C ATOM 570 NE ARG A 37 14.760 -9.341 -12.456 1.00 0.00 N ATOM 571 CZ ARG A 37 15.191 -8.503 -13.391 1.00 0.00 C ATOM 572 NH1 ARG A 37 16.066 -7.555 -13.084 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.747 -8.612 -14.637 1.00 0.00 N ATOM 0 H ARG A 37 14.112 -7.337 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 37 12.401 -8.707 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.391 -10.387 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.785 -8.890 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.052 -10.600 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.152 -11.144 -10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.072 -8.279 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.259 -9.526 -11.008 1.00 0.00 H new ATOM 0 HE ARG A 37 14.087 -10.059 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.410 -7.468 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.396 -6.912 -13.804 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.074 -9.340 -14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.079 -7.968 -15.355 1.00 0.00 H new ATOM 587 N ASP A 38 15.434 -9.664 -7.227 1.00 0.00 N ATOM 588 CA ASP A 38 16.269 -10.487 -6.359 1.00 0.00 C ATOM 589 C ASP A 38 16.491 -9.803 -5.013 1.00 0.00 C ATOM 590 O ASP A 38 16.511 -10.457 -3.970 1.00 0.00 O ATOM 591 CB ASP A 38 17.615 -10.770 -7.029 1.00 0.00 C ATOM 592 CG ASP A 38 18.712 -11.057 -6.023 1.00 0.00 C ATOM 593 OD1 ASP A 38 18.779 -12.204 -5.530 1.00 0.00 O ATOM 594 OD2 ASP A 38 19.504 -10.138 -5.728 1.00 0.00 O ATOM 0 H ASP A 38 15.940 -8.936 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 38 15.752 -11.431 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.511 -11.621 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.901 -9.914 -7.640 1.00 0.00 H new ATOM 599 N ASN A 39 16.656 -8.485 -5.044 1.00 0.00 N ATOM 600 CA ASN A 39 16.877 -7.714 -3.826 1.00 0.00 C ATOM 601 C ASN A 39 15.632 -6.912 -3.456 1.00 0.00 C ATOM 602 O ASN A 39 15.713 -5.717 -3.180 1.00 0.00 O ATOM 603 CB ASN A 39 18.069 -6.771 -4.005 1.00 0.00 C ATOM 604 CG ASN A 39 18.801 -6.512 -2.701 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.523 -7.147 -1.683 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.739 -5.572 -2.727 1.00 0.00 N ATOM 0 H ASN A 39 16.641 -7.929 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 39 17.092 -8.412 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.762 -7.199 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.721 -5.824 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.263 -5.351 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.935 -5.071 -3.594 1.00 0.00 H new ATOM 613 N GLN A 40 14.484 -7.582 -3.453 1.00 0.00 N ATOM 614 CA GLN A 40 13.223 -6.932 -3.117 1.00 0.00 C ATOM 615 C GLN A 40 12.988 -6.947 -1.609 1.00 0.00 C ATOM 616 O GLN A 40 12.274 -6.099 -1.076 1.00 0.00 O ATOM 617 CB GLN A 40 12.062 -7.624 -3.832 1.00 0.00 C ATOM 618 CG GLN A 40 11.743 -7.026 -5.193 1.00 0.00 C ATOM 619 CD GLN A 40 11.008 -7.994 -6.099 1.00 0.00 C ATOM 620 OE1 GLN A 40 11.028 -9.205 -5.878 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.355 -7.465 -7.126 1.00 0.00 N ATOM 0 H GLN A 40 14.401 -8.573 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 40 13.278 -5.895 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.300 -8.681 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.174 -7.569 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.138 -6.129 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.670 -6.716 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.365 -6.455 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.843 -8.068 -7.770 1.00 0.00 H new ATOM 630 N GLU A 41 13.594 -7.916 -0.931 1.00 0.00 N ATOM 631 CA GLU A 41 13.448 -8.040 0.515 1.00 0.00 C ATOM 632 C GLU A 41 14.224 -6.943 1.236 1.00 0.00 C ATOM 633 O GLU A 41 13.699 -6.286 2.136 1.00 0.00 O ATOM 634 CB GLU A 41 13.934 -9.414 0.982 1.00 0.00 C ATOM 635 CG GLU A 41 13.046 -10.561 0.530 1.00 0.00 C ATOM 636 CD GLU A 41 13.793 -11.876 0.434 1.00 0.00 C ATOM 637 OE1 GLU A 41 14.446 -12.115 -0.604 1.00 0.00 O ATOM 638 OE2 GLU A 41 13.727 -12.667 1.399 1.00 0.00 O ATOM 0 H GLU A 41 14.190 -8.625 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 41 12.391 -7.933 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.944 -9.579 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.993 -9.418 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.216 -10.669 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.615 -10.321 -0.442 1.00 0.00 H new ATOM 645 N GLN A 42 15.477 -6.749 0.835 1.00 0.00 N ATOM 646 CA GLN A 42 16.325 -5.731 1.445 1.00 0.00 C ATOM 647 C GLN A 42 15.567 -4.419 1.609 1.00 0.00 C ATOM 648 O GLN A 42 15.900 -3.601 2.468 1.00 0.00 O ATOM 649 CB GLN A 42 17.578 -5.509 0.597 1.00 0.00 C ATOM 650 CG GLN A 42 17.313 -4.749 -0.693 1.00 0.00 C ATOM 651 CD GLN A 42 18.504 -3.924 -1.140 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.565 -3.956 -0.516 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.334 -3.179 -2.226 1.00 0.00 N ATOM 0 H GLN A 42 15.927 -7.283 0.091 1.00 0.00 H new ATOM 0 HA GLN A 42 16.621 -6.083 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.313 -4.962 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.019 -6.476 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.050 -5.456 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.453 -4.093 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.437 -3.183 -2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.100 -2.603 -2.574 1.00 0.00 H new ATOM 662 N TYR A 43 14.548 -4.222 0.780 1.00 0.00 N ATOM 663 CA TYR A 43 13.745 -3.006 0.831 1.00 0.00 C ATOM 664 C TYR A 43 12.748 -3.061 1.985 1.00 0.00 C ATOM 665 O TYR A 43 12.324 -4.137 2.405 1.00 0.00 O ATOM 666 CB TYR A 43 13.002 -2.803 -0.490 1.00 0.00 C ATOM 667 CG TYR A 43 13.906 -2.420 -1.639 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.867 -1.426 -1.492 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.799 -3.048 -2.874 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.695 -1.071 -2.539 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.624 -2.701 -3.926 1.00 0.00 C ATOM 672 CZ TYR A 43 15.570 -1.711 -3.754 1.00 0.00 C ATOM 673 OH TYR A 43 16.393 -1.362 -4.801 1.00 0.00 O ATOM 0 H TYR A 43 14.258 -4.889 0.065 1.00 0.00 H new ATOM 0 HA TYR A 43 14.417 -2.164 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.473 -3.722 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.248 -2.027 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.968 -0.922 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.058 -3.821 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.436 -0.297 -2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.529 -3.202 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 43 16.988 -2.111 -5.013 1.00 0.00 H new ATOM 683 N THR A 44 12.376 -1.890 2.493 1.00 0.00 N ATOM 684 CA THR A 44 11.429 -1.802 3.598 1.00 0.00 C ATOM 685 C THR A 44 10.297 -0.832 3.277 1.00 0.00 C ATOM 686 O THR A 44 10.443 0.051 2.430 1.00 0.00 O ATOM 687 CB THR A 44 12.123 -1.351 4.897 1.00 0.00 C ATOM 688 OG1 THR A 44 12.604 -0.010 4.756 1.00 0.00 O ATOM 689 CG2 THR A 44 13.279 -2.277 5.243 1.00 0.00 C ATOM 0 H THR A 44 12.716 -0.989 2.157 1.00 0.00 H new ATOM 0 HA THR A 44 11.017 -2.801 3.742 1.00 0.00 H new ATOM 0 HB THR A 44 11.393 -1.391 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.042 0.269 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.753 -1.938 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.904 -3.291 5.380 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.009 -2.266 4.434 1.00 0.00 H new ATOM 697 N THR A 45 9.169 -1.000 3.958 1.00 0.00 N ATOM 698 CA THR A 45 8.011 -0.140 3.744 1.00 0.00 C ATOM 699 C THR A 45 8.430 1.317 3.593 1.00 0.00 C ATOM 700 O THR A 45 7.762 2.098 2.915 1.00 0.00 O ATOM 701 CB THR A 45 7.005 -0.255 4.904 1.00 0.00 C ATOM 702 OG1 THR A 45 7.678 -0.089 6.156 1.00 0.00 O ATOM 703 CG2 THR A 45 6.300 -1.604 4.876 1.00 0.00 C ATOM 0 H THR A 45 9.032 -1.724 4.663 1.00 0.00 H new ATOM 0 HA THR A 45 7.533 -0.475 2.824 1.00 0.00 H new ATOM 0 HB THR A 45 6.259 0.531 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.853 -0.968 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.594 -1.663 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.764 -1.715 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.037 -2.402 4.970 1.00 0.00 H new ATOM 711 N ILE A 46 9.540 1.678 4.227 1.00 0.00 N ATOM 712 CA ILE A 46 10.049 3.042 4.161 1.00 0.00 C ATOM 713 C ILE A 46 10.617 3.350 2.780 1.00 0.00 C ATOM 714 O ILE A 46 10.047 4.137 2.025 1.00 0.00 O ATOM 715 CB ILE A 46 11.140 3.289 5.219 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.527 3.309 6.621 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.869 4.594 4.935 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.440 4.348 6.789 1.00 0.00 C ATOM 0 H ILE A 46 10.105 1.044 4.793 1.00 0.00 H new ATOM 0 HA ILE A 46 9.206 3.703 4.361 1.00 0.00 H new ATOM 0 HB ILE A 46 11.863 2.474 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.115 2.325 6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.315 3.497 7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.637 4.754 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.334 4.544 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.159 5.420 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.051 4.306 7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.852 5.339 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.634 4.148 6.083 1.00 0.00 H new ATOM 730 N GLN A 47 11.744 2.723 2.456 1.00 0.00 N ATOM 731 CA GLN A 47 12.388 2.929 1.164 1.00 0.00 C ATOM 732 C GLN A 47 11.370 2.864 0.031 1.00 0.00 C ATOM 733 O GLN A 47 11.378 3.702 -0.872 1.00 0.00 O ATOM 734 CB GLN A 47 13.482 1.883 0.944 1.00 0.00 C ATOM 735 CG GLN A 47 14.543 1.874 2.033 1.00 0.00 C ATOM 736 CD GLN A 47 15.888 1.382 1.534 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.607 2.101 0.840 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.233 0.148 1.886 1.00 0.00 N ATOM 0 H GLN A 47 12.229 2.069 3.070 1.00 0.00 H new ATOM 0 HA GLN A 47 12.839 3.921 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.023 0.896 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.961 2.067 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.655 2.881 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.210 1.239 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.605 -0.412 2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.126 -0.239 1.580 1.00 0.00 H new ATOM 747 N ILE A 48 10.497 1.864 0.084 1.00 0.00 N ATOM 748 CA ILE A 48 9.473 1.691 -0.938 1.00 0.00 C ATOM 749 C ILE A 48 8.516 2.878 -0.967 1.00 0.00 C ATOM 750 O ILE A 48 8.086 3.316 -2.032 1.00 0.00 O ATOM 751 CB ILE A 48 8.662 0.401 -0.711 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.588 -0.818 -0.724 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.580 0.260 -1.770 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.154 -1.132 -2.091 1.00 0.00 C ATOM 0 H ILE A 48 10.478 1.162 0.823 1.00 0.00 H new ATOM 0 HA ILE A 48 9.993 1.622 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 48 8.181 0.460 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.411 -0.647 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.038 -1.686 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.017 -0.657 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.907 1.115 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.040 0.220 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.801 -2.007 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.338 -1.335 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.732 -0.280 -2.450 1.00 0.00 H new ATOM 766 N ALA A 49 8.191 3.397 0.213 1.00 0.00 N ATOM 767 CA ALA A 49 7.290 4.537 0.324 1.00 0.00 C ATOM 768 C ALA A 49 7.861 5.760 -0.385 1.00 0.00 C ATOM 769 O ALA A 49 7.259 6.285 -1.320 1.00 0.00 O ATOM 770 CB ALA A 49 7.016 4.853 1.787 1.00 0.00 C ATOM 0 H ALA A 49 8.539 3.046 1.105 1.00 0.00 H new ATOM 0 HA ALA A 49 6.350 4.274 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.342 5.707 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.556 3.989 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.954 5.091 2.290 1.00 0.00 H new ATOM 776 N ASN A 50 9.029 6.208 0.065 1.00 0.00 N ATOM 777 CA ASN A 50 9.681 7.371 -0.526 1.00 0.00 C ATOM 778 C ASN A 50 9.706 7.265 -2.048 1.00 0.00 C ATOM 779 O ASN A 50 9.486 8.250 -2.751 1.00 0.00 O ATOM 780 CB ASN A 50 11.108 7.508 0.011 1.00 0.00 C ATOM 781 CG ASN A 50 11.145 8.060 1.421 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.257 9.269 1.625 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.050 7.175 2.406 1.00 0.00 N ATOM 0 H ASN A 50 9.543 5.783 0.837 1.00 0.00 H new ATOM 0 HA ASN A 50 9.109 8.257 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.595 6.533 -0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.680 8.162 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.068 7.488 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.959 6.182 2.192 1.00 0.00 H new ATOM 790 N MET A 51 9.974 6.063 -2.548 1.00 0.00 N ATOM 791 CA MET A 51 10.025 5.829 -3.986 1.00 0.00 C ATOM 792 C MET A 51 8.673 6.113 -4.632 1.00 0.00 C ATOM 793 O MET A 51 8.603 6.633 -5.745 1.00 0.00 O ATOM 794 CB MET A 51 10.448 4.388 -4.275 1.00 0.00 C ATOM 795 CG MET A 51 11.924 4.125 -4.022 1.00 0.00 C ATOM 796 SD MET A 51 12.565 2.758 -5.007 1.00 0.00 S ATOM 797 CE MET A 51 12.668 1.468 -3.770 1.00 0.00 C ATOM 0 H MET A 51 10.159 5.237 -1.979 1.00 0.00 H new ATOM 0 HA MET A 51 10.762 6.509 -4.413 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.856 3.713 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.218 4.152 -5.314 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.493 5.027 -4.246 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.074 3.907 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.271 0.645 -4.152 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.129 1.867 -2.866 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.666 1.106 -3.537 1.00 0.00 H new ATOM 807 N MET A 52 7.601 5.768 -3.926 1.00 0.00 N ATOM 808 CA MET A 52 6.250 5.986 -4.431 1.00 0.00 C ATOM 809 C MET A 52 5.856 7.455 -4.310 1.00 0.00 C ATOM 810 O MET A 52 5.088 7.969 -5.122 1.00 0.00 O ATOM 811 CB MET A 52 5.250 5.114 -3.670 1.00 0.00 C ATOM 812 CG MET A 52 5.448 3.624 -3.898 1.00 0.00 C ATOM 813 SD MET A 52 4.039 2.644 -3.346 1.00 0.00 S ATOM 814 CE MET A 52 3.171 2.396 -4.894 1.00 0.00 C ATOM 0 H MET A 52 7.642 5.336 -3.003 1.00 0.00 H new ATOM 0 HA MET A 52 6.234 5.708 -5.485 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.334 5.325 -2.604 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.239 5.388 -3.970 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.619 3.442 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.343 3.295 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.461 1.576 -4.786 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.635 3.307 -5.161 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.888 2.154 -5.678 1.00 0.00 H new ATOM 824 N GLU A 53 6.387 8.123 -3.290 1.00 0.00 N ATOM 825 CA GLU A 53 6.088 9.533 -3.063 1.00 0.00 C ATOM 826 C GLU A 53 6.483 10.374 -4.273 1.00 0.00 C ATOM 827 O GLU A 53 5.811 11.349 -4.611 1.00 0.00 O ATOM 828 CB GLU A 53 6.819 10.037 -1.817 1.00 0.00 C ATOM 829 CG GLU A 53 6.072 9.765 -0.522 1.00 0.00 C ATOM 830 CD GLU A 53 6.788 10.324 0.693 1.00 0.00 C ATOM 831 OE1 GLU A 53 8.008 10.572 0.599 1.00 0.00 O ATOM 832 OE2 GLU A 53 6.128 10.512 1.736 1.00 0.00 O ATOM 0 H GLU A 53 7.025 7.712 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 53 5.013 9.631 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.801 9.566 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.985 11.110 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.075 10.201 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.943 8.690 -0.400 1.00 0.00 H new ATOM 839 N GLU A 54 7.578 9.990 -4.922 1.00 0.00 N ATOM 840 CA GLU A 54 8.063 10.710 -6.094 1.00 0.00 C ATOM 841 C GLU A 54 7.475 10.125 -7.374 1.00 0.00 C ATOM 842 O GLU A 54 7.123 10.856 -8.300 1.00 0.00 O ATOM 843 CB GLU A 54 9.592 10.661 -6.152 1.00 0.00 C ATOM 844 CG GLU A 54 10.176 9.329 -5.714 1.00 0.00 C ATOM 845 CD GLU A 54 11.658 9.214 -6.014 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.404 10.163 -5.692 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.072 8.176 -6.571 1.00 0.00 O ATOM 0 H GLU A 54 8.146 9.185 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 54 7.742 11.748 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.915 10.872 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.997 11.451 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.015 9.200 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.644 8.521 -6.216 1.00 0.00 H new ATOM 854 N LYS A 55 7.373 8.800 -7.420 1.00 0.00 N ATOM 855 CA LYS A 55 6.827 8.115 -8.585 1.00 0.00 C ATOM 856 C LYS A 55 5.375 8.515 -8.820 1.00 0.00 C ATOM 857 O LYS A 55 5.007 8.938 -9.917 1.00 0.00 O ATOM 858 CB LYS A 55 6.927 6.599 -8.403 1.00 0.00 C ATOM 859 CG LYS A 55 6.429 5.808 -9.601 1.00 0.00 C ATOM 860 CD LYS A 55 7.480 5.732 -10.695 1.00 0.00 C ATOM 861 CE LYS A 55 8.434 4.569 -10.471 1.00 0.00 C ATOM 862 NZ LYS A 55 9.574 4.948 -9.591 1.00 0.00 N ATOM 0 H LYS A 55 7.662 8.180 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 55 7.412 8.410 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.966 6.333 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.354 6.309 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.157 4.801 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.525 6.273 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.992 5.622 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.043 6.665 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.892 3.736 -10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.816 4.223 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.391 4.340 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.829 5.942 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.299 4.828 -8.595 1.00 0.00 H new ATOM 876 N PHE A 56 4.553 8.380 -7.785 1.00 0.00 N ATOM 877 CA PHE A 56 3.140 8.728 -7.879 1.00 0.00 C ATOM 878 C PHE A 56 2.786 9.838 -6.894 1.00 0.00 C ATOM 879 O PHE A 56 2.309 9.591 -5.787 1.00 0.00 O ATOM 880 CB PHE A 56 2.271 7.497 -7.611 1.00 0.00 C ATOM 881 CG PHE A 56 2.917 6.205 -8.025 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.752 5.713 -9.309 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.689 5.484 -7.129 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.345 4.524 -9.692 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.286 4.296 -7.506 1.00 0.00 C ATOM 886 CZ PHE A 56 4.113 3.815 -8.790 1.00 0.00 C ATOM 0 H PHE A 56 4.841 8.032 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 56 2.947 9.088 -8.890 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.037 7.452 -6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.325 7.607 -8.141 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.153 6.264 -10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.826 5.855 -6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.207 4.150 -10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.887 3.744 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.578 2.886 -9.087 1.00 0.00 H new ATOM 896 N PRO A 57 3.025 11.092 -7.306 1.00 0.00 N ATOM 897 CA PRO A 57 2.740 12.266 -6.477 1.00 0.00 C ATOM 898 C PRO A 57 1.244 12.504 -6.303 1.00 0.00 C ATOM 899 O PRO A 57 0.827 13.353 -5.518 1.00 0.00 O ATOM 900 CB PRO A 57 3.378 13.417 -7.259 1.00 0.00 C ATOM 901 CG PRO A 57 3.395 12.950 -8.673 1.00 0.00 C ATOM 902 CD PRO A 57 3.592 11.460 -8.615 1.00 0.00 C ATOM 0 HA PRO A 57 3.129 12.154 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.801 14.336 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.385 13.629 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.462 13.201 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.199 13.428 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.078 10.954 -9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.646 11.191 -8.687 1.00 0.00 H new ATOM 910 N ALA A 58 0.439 11.747 -7.043 1.00 0.00 N ATOM 911 CA ALA A 58 -1.011 11.874 -6.970 1.00 0.00 C ATOM 912 C ALA A 58 -1.538 11.379 -5.628 1.00 0.00 C ATOM 913 O ALA A 58 -2.238 12.103 -4.919 1.00 0.00 O ATOM 914 CB ALA A 58 -1.666 11.110 -8.111 1.00 0.00 C ATOM 0 H ALA A 58 0.768 11.039 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.264 12.930 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.749 11.214 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.321 11.512 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.398 10.056 -8.044 1.00 0.00 H new ATOM 920 N ASP A 59 -1.199 10.142 -5.285 1.00 0.00 N ATOM 921 CA ASP A 59 -1.637 9.549 -4.026 1.00 0.00 C ATOM 922 C ASP A 59 -0.442 9.178 -3.154 1.00 0.00 C ATOM 923 O ASP A 59 -0.589 8.920 -1.960 1.00 0.00 O ATOM 924 CB ASP A 59 -2.495 8.311 -4.292 1.00 0.00 C ATOM 925 CG ASP A 59 -1.816 7.327 -5.225 1.00 0.00 C ATOM 926 OD1 ASP A 59 -0.837 6.681 -4.796 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.266 7.202 -6.383 1.00 0.00 O ATOM 0 H ASP A 59 -0.622 9.529 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.235 10.288 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.718 7.817 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.448 8.618 -4.723 1.00 0.00 H new ATOM 932 N SER A 60 0.740 9.152 -3.759 1.00 0.00 N ATOM 933 CA SER A 60 1.961 8.807 -3.039 1.00 0.00 C ATOM 934 C SER A 60 1.944 7.344 -2.611 1.00 0.00 C ATOM 935 O SER A 60 2.501 6.982 -1.576 1.00 0.00 O ATOM 936 CB SER A 60 2.127 9.708 -1.814 1.00 0.00 C ATOM 937 OG SER A 60 1.795 11.051 -2.119 1.00 0.00 O ATOM 0 H SER A 60 0.879 9.366 -4.747 1.00 0.00 H new ATOM 0 HA SER A 60 2.806 8.960 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.491 9.348 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.156 9.657 -1.458 1.00 0.00 H new ATOM 0 HG SER A 60 1.908 11.606 -1.319 1.00 0.00 H new ATOM 943 N GLY A 61 1.298 6.505 -3.415 1.00 0.00 N ATOM 944 CA GLY A 61 1.218 5.090 -3.104 1.00 0.00 C ATOM 945 C GLY A 61 -0.103 4.710 -2.467 1.00 0.00 C ATOM 946 O GLY A 61 -0.621 3.616 -2.699 1.00 0.00 O ATOM 0 H GLY A 61 0.828 6.781 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.357 4.512 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.033 4.823 -2.431 1.00 0.00 H new ATOM 950 N LEU A 62 -0.651 5.613 -1.662 1.00 0.00 N ATOM 951 CA LEU A 62 -1.922 5.366 -0.987 1.00 0.00 C ATOM 952 C LEU A 62 -2.897 4.641 -1.911 1.00 0.00 C ATOM 953 O LEU A 62 -3.529 3.662 -1.518 1.00 0.00 O ATOM 954 CB LEU A 62 -2.535 6.684 -0.514 1.00 0.00 C ATOM 955 CG LEU A 62 -4.014 6.637 -0.128 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.246 5.608 0.967 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.494 8.010 0.318 1.00 0.00 C ATOM 0 H LEU A 62 -0.236 6.523 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.729 4.731 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.967 7.038 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.410 7.424 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.589 6.341 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.304 5.588 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.942 4.624 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.659 5.874 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.549 7.957 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.914 8.335 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.364 8.723 -0.496 1.00 0.00 H new ATOM 969 N GLY A 63 -3.011 5.129 -3.143 1.00 0.00 N ATOM 970 CA GLY A 63 -3.908 4.515 -4.105 1.00 0.00 C ATOM 971 C GLY A 63 -3.471 3.117 -4.494 1.00 0.00 C ATOM 972 O GLY A 63 -4.126 2.133 -4.148 1.00 0.00 O ATOM 0 H GLY A 63 -2.498 5.939 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.913 4.475 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.960 5.138 -4.998 1.00 0.00 H new ATOM 976 N LYS A 64 -2.361 3.026 -5.219 1.00 0.00 N ATOM 977 CA LYS A 64 -1.837 1.739 -5.657 1.00 0.00 C ATOM 978 C LYS A 64 -1.987 0.687 -4.562 1.00 0.00 C ATOM 979 O LYS A 64 -2.214 -0.490 -4.844 1.00 0.00 O ATOM 980 CB LYS A 64 -0.363 1.873 -6.052 1.00 0.00 C ATOM 981 CG LYS A 64 0.074 0.880 -7.115 1.00 0.00 C ATOM 982 CD LYS A 64 -0.502 1.230 -8.477 1.00 0.00 C ATOM 983 CE LYS A 64 -0.002 0.281 -9.555 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.855 -0.935 -9.662 1.00 0.00 N ATOM 0 H LYS A 64 -1.807 3.829 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.413 1.418 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.183 2.885 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.256 1.739 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.162 0.863 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.246 -0.123 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.590 1.192 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.229 2.253 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.015 0.798 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.024 -0.013 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.481 -1.557 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.852 -1.442 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.828 -0.656 -9.899 1.00 0.00 H new ATOM 998 N LEU A 65 -1.861 1.120 -3.313 1.00 0.00 N ATOM 999 CA LEU A 65 -1.986 0.216 -2.175 1.00 0.00 C ATOM 1000 C LEU A 65 -3.442 -0.172 -1.944 1.00 0.00 C ATOM 1001 O LEU A 65 -3.797 -1.350 -2.005 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.415 0.871 -0.914 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.215 -0.052 0.289 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.521 -0.229 1.047 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.667 -1.399 -0.157 1.00 0.00 C ATOM 0 H LEU A 65 -1.673 2.091 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.420 -0.688 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.454 1.321 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.079 1.683 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.489 0.408 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.360 -0.889 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.871 0.741 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.269 -0.667 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.531 -2.042 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.368 -1.866 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.292 -1.255 -0.655 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.281 0.824 -1.682 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.699 0.586 -1.445 1.00 0.00 C ATOM 1019 C ILE A 66 -6.215 -0.563 -2.307 1.00 0.00 C ATOM 1020 O ILE A 66 -6.772 -1.532 -1.795 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.537 1.845 -1.735 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.354 2.874 -0.617 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.006 1.481 -1.889 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.885 4.247 -0.965 1.00 0.00 C ATOM 0 H ILE A 66 -4.003 1.804 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.803 0.324 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.192 2.285 -2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.857 2.516 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.294 2.954 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.585 2.382 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.122 0.780 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.365 1.020 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.721 4.924 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.365 4.626 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.953 4.182 -1.175 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.023 -0.445 -3.616 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.468 -1.474 -4.549 1.00 0.00 C ATOM 1038 C GLU A 67 -5.964 -2.850 -4.122 1.00 0.00 C ATOM 1039 O GLU A 67 -6.741 -3.795 -3.990 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.980 -1.156 -5.964 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.716 0.002 -6.615 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.429 0.115 -8.100 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.884 -0.765 -8.861 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -5.751 1.084 -8.501 1.00 0.00 O ATOM 0 H GLU A 67 -5.563 0.352 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.558 -1.487 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.915 -0.925 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.093 -2.044 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.788 -0.123 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.431 0.932 -6.122 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.656 -2.953 -3.909 1.00 0.00 N ATOM 1052 CA PHE A 68 -4.046 -4.213 -3.498 1.00 0.00 C ATOM 1053 C PHE A 68 -4.829 -4.849 -2.353 1.00 0.00 C ATOM 1054 O PHE A 68 -4.898 -6.073 -2.238 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.593 -3.985 -3.073 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.975 -5.173 -2.392 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.456 -6.221 -3.134 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.914 -5.241 -1.009 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.887 -7.316 -2.511 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.346 -6.333 -0.380 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.833 -7.372 -1.132 1.00 0.00 C ATOM 0 H PHE A 68 -3.999 -2.180 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.066 -4.893 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.001 -3.731 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.549 -3.128 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.496 -6.182 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.315 -4.432 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.485 -8.126 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.303 -6.374 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.390 -8.227 -0.642 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.416 -4.008 -1.508 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.193 -4.488 -0.370 1.00 0.00 C ATOM 1073 C CYS A 69 -7.544 -5.029 -0.825 1.00 0.00 C ATOM 1074 O CYS A 69 -8.087 -5.956 -0.223 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.397 -3.362 0.645 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.863 -2.587 1.206 1.00 0.00 S ATOM 0 H CYS A 69 -5.369 -2.992 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.638 -5.298 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.036 -2.599 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.928 -3.759 1.510 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.139 -1.646 2.060 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.083 -4.445 -1.891 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.372 -4.868 -2.423 1.00 0.00 C ATOM 1084 C GLU A 70 -9.345 -6.345 -2.807 1.00 0.00 C ATOM 1085 O GLU A 70 -10.172 -7.132 -2.349 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.750 -4.020 -3.640 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.041 -2.568 -3.303 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.475 -1.765 -4.513 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.424 -2.195 -5.202 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -9.866 -0.705 -4.772 1.00 0.00 O ATOM 0 H GLU A 70 -7.647 -3.678 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.121 -4.727 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.938 -4.060 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.627 -4.456 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.822 -2.524 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.150 -2.113 -2.870 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.385 -6.712 -3.652 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.250 -8.094 -4.098 1.00 0.00 C ATOM 1099 C GLU A 71 -8.253 -9.052 -2.911 1.00 0.00 C ATOM 1100 O GLU A 71 -8.834 -10.136 -2.975 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.962 -8.268 -4.905 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.759 -8.648 -4.059 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.520 -8.914 -4.891 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.353 -8.251 -5.936 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.717 -9.785 -4.497 1.00 0.00 O ATOM 0 H GLU A 71 -7.691 -6.073 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.104 -8.329 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.119 -9.035 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.746 -7.339 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.551 -7.847 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.997 -9.537 -3.474 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.598 -8.645 -1.829 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.524 -9.466 -0.626 1.00 0.00 C ATOM 1114 C VAL A 72 -8.720 -9.215 0.286 1.00 0.00 C ATOM 1115 O VAL A 72 -8.979 -8.092 0.717 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.229 -9.195 0.160 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -5.953 -10.324 1.143 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.057 -9.009 -0.792 1.00 0.00 C ATOM 0 H VAL A 72 -7.111 -7.752 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.531 -10.506 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.357 -8.274 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.033 -10.114 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.782 -10.405 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.846 -11.262 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.150 -8.818 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.926 -9.912 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.254 -8.164 -1.451 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.470 -10.285 0.586 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.652 -10.208 1.450 1.00 0.00 C ATOM 1130 C PRO A 73 -10.289 -9.931 2.905 1.00 0.00 C ATOM 1131 O PRO A 73 -11.165 -9.733 3.746 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.286 -11.593 1.311 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.157 -12.491 0.937 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.222 -11.656 0.106 1.00 0.00 C ATOM 0 HA PRO A 73 -11.314 -9.392 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.752 -11.910 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.065 -11.597 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.653 -12.875 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.514 -13.354 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.183 -11.951 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.435 -11.754 -0.959 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.992 -9.917 3.194 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.514 -9.662 4.547 1.00 0.00 C ATOM 1144 C ALA A 74 -7.992 -8.237 4.685 1.00 0.00 C ATOM 1145 O ALA A 74 -7.805 -7.738 5.796 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.429 -10.662 4.921 1.00 0.00 C ATOM 0 H ALA A 74 -8.254 -10.079 2.509 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.354 -9.781 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.081 -10.460 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.833 -11.673 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.594 -10.570 4.226 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.758 -7.585 3.551 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.256 -6.215 3.546 1.00 0.00 C ATOM 1154 C LEU A 75 -8.362 -5.231 3.178 1.00 0.00 C ATOM 1155 O LEU A 75 -8.265 -4.038 3.462 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.092 -6.081 2.563 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.860 -6.935 2.862 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.742 -6.624 1.878 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.390 -6.712 4.293 1.00 0.00 C ATOM 0 H LEU A 75 -7.908 -7.983 2.624 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.905 -5.980 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.453 -6.336 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.786 -5.035 2.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.134 -7.984 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.874 -7.242 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.081 -6.836 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.470 -5.572 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.512 -7.328 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.134 -5.662 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.187 -6.986 4.985 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.416 -5.741 2.547 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.540 -4.909 2.142 1.00 0.00 C ATOM 1173 C ARG A 76 -10.974 -3.989 3.279 1.00 0.00 C ATOM 1174 O ARG A 76 -11.309 -2.825 3.058 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.717 -5.782 1.702 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.642 -6.218 0.247 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.900 -6.958 -0.179 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.048 -6.063 -0.295 1.00 0.00 N ATOM 1179 CZ ARG A 76 -14.253 -5.263 -1.335 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -13.393 -5.247 -2.344 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -15.323 -4.477 -1.369 1.00 0.00 N ATOM 0 H ARG A 76 -9.513 -6.727 2.306 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.218 -4.294 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.759 -6.668 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.645 -5.233 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.500 -5.344 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.774 -6.861 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.725 -7.449 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.123 -7.741 0.545 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.729 -6.052 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.571 -5.850 -2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.554 -4.631 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.988 -4.487 -0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.480 -3.863 -2.168 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.965 -4.518 4.498 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.356 -3.746 5.671 1.00 0.00 C ATOM 1197 C LYS A 77 -10.590 -2.429 5.735 1.00 0.00 C ATOM 1198 O LYS A 77 -11.180 -1.365 5.924 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.108 -4.556 6.946 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.173 -3.727 8.215 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.579 -3.213 8.475 1.00 0.00 C ATOM 1202 CE LYS A 77 -13.427 -4.250 9.196 1.00 0.00 C ATOM 1203 NZ LYS A 77 -12.989 -4.441 10.606 1.00 0.00 N ATOM 0 H LYS A 77 -10.691 -5.480 4.699 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.420 -3.523 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.845 -5.357 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.128 -5.029 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.843 -4.329 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.486 -2.885 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.530 -2.302 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.052 -2.949 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.472 -3.940 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.368 -5.200 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.760 -4.874 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.156 -5.063 10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.744 -3.519 11.021 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.272 -2.507 5.577 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.427 -1.321 5.616 1.00 0.00 C ATOM 1219 C ARG A 78 -8.596 -0.489 4.348 1.00 0.00 C ATOM 1220 O ARG A 78 -8.608 0.740 4.398 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.959 -1.721 5.784 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.644 -2.323 7.143 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.269 -1.252 8.155 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.875 -1.825 9.439 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.805 -1.125 10.565 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.099 0.168 10.566 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.438 -1.718 11.695 1.00 0.00 N ATOM 0 H ARG A 78 -8.767 -3.380 5.421 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.733 -0.716 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.696 -2.440 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.332 -0.843 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.509 -2.880 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.825 -3.035 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.450 -0.651 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.115 -0.581 8.302 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.641 -2.817 9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.380 0.628 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.044 0.703 11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.210 -2.712 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.384 -1.179 12.560 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.726 -1.168 3.214 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.896 -0.493 1.933 1.00 0.00 C ATOM 1243 C ALA A 79 -9.969 0.588 2.022 1.00 0.00 C ATOM 1244 O ALA A 79 -9.679 1.775 1.873 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.248 -1.500 0.848 1.00 0.00 C ATOM 0 H ALA A 79 -8.717 -2.186 3.156 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.952 -0.013 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.372 -0.982 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.447 -2.234 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.177 -2.006 1.109 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.206 0.169 2.264 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.322 1.103 2.371 1.00 0.00 C ATOM 1253 C GLU A 80 -11.984 2.247 3.323 1.00 0.00 C ATOM 1254 O GLU A 80 -12.242 3.414 3.024 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.580 0.378 2.853 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.428 -0.255 4.227 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.568 -1.195 4.564 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.824 -2.127 3.773 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -15.205 -0.999 5.621 1.00 0.00 O ATOM 0 H GLU A 80 -11.462 -0.810 2.390 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.509 1.520 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.410 1.084 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.842 -0.397 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.486 -0.802 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.374 0.530 4.981 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.407 1.904 4.469 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.034 2.902 5.464 1.00 0.00 C ATOM 1268 C ILE A 81 -10.050 3.913 4.886 1.00 0.00 C ATOM 1269 O ILE A 81 -10.155 5.114 5.143 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.407 2.247 6.710 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.391 1.262 7.344 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.992 3.311 7.715 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.756 0.351 8.373 1.00 0.00 C ATOM 0 H ILE A 81 -11.188 0.943 4.732 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.950 3.416 5.755 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.517 1.697 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.199 1.821 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.840 0.653 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.551 2.833 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.260 3.977 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.867 3.886 8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.512 -0.320 8.781 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.966 -0.235 7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.332 0.951 9.178 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.096 3.422 4.104 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.094 4.283 3.487 1.00 0.00 C ATOM 1287 C LEU A 82 -8.741 5.260 2.510 1.00 0.00 C ATOM 1288 O LEU A 82 -8.391 6.440 2.471 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.044 3.440 2.761 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.082 2.654 3.652 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.524 1.452 2.905 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.954 3.551 4.141 1.00 0.00 C ATOM 0 H LEU A 82 -8.995 2.432 3.882 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.609 4.856 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.560 2.736 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.458 4.099 2.120 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.634 2.293 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.841 0.905 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.343 0.798 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.988 1.791 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.279 2.975 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.404 3.943 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.370 4.379 4.714 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.688 4.760 1.724 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.390 5.588 0.750 1.00 0.00 C ATOM 1306 C LYS A 83 -11.113 6.742 1.435 1.00 0.00 C ATOM 1307 O LYS A 83 -10.995 7.896 1.023 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.390 4.744 -0.043 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.736 3.697 -0.928 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.657 2.512 -1.165 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.317 1.793 -2.461 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.516 1.156 -3.073 1.00 0.00 N ATOM 0 H LYS A 83 -9.987 3.785 1.742 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.650 6.002 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.066 4.248 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.998 5.403 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.465 4.145 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.812 3.353 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.578 1.816 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.691 2.854 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.882 2.502 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.561 1.032 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.243 0.676 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.916 0.461 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.228 1.885 -3.282 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.863 6.423 2.485 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.604 7.434 3.232 1.00 0.00 C ATOM 1328 C LYS A 84 -11.782 8.709 3.387 1.00 0.00 C ATOM 1329 O LYS A 84 -12.259 9.804 3.095 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.994 6.895 4.609 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.163 7.630 5.242 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.714 6.877 6.441 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.608 7.763 7.294 1.00 0.00 C ATOM 1334 NZ LYS A 84 -16.348 6.979 8.321 1.00 0.00 N ATOM 0 H LYS A 84 -11.974 5.472 2.838 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.508 7.673 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.246 5.839 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.132 6.961 5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.843 8.625 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.952 7.765 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.279 6.010 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.889 6.501 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.002 8.525 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.319 8.285 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.946 7.619 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.946 6.269 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.670 6.501 8.948 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.544 8.556 3.847 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.656 9.697 4.040 1.00 0.00 C ATOM 1350 C GLU A 85 -9.276 10.323 2.701 1.00 0.00 C ATOM 1351 O GLU A 85 -9.465 11.521 2.487 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.394 9.268 4.791 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.637 8.953 6.258 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.363 8.983 7.079 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -6.559 9.921 6.896 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.170 8.067 7.908 1.00 0.00 O ATOM 0 H GLU A 85 -10.134 7.655 4.093 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.187 10.442 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.973 8.389 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.650 10.061 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.346 9.672 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.097 7.968 6.343 1.00 0.00 H new ATOM 1363 N ARG A 86 -8.739 9.503 1.803 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.330 9.976 0.486 1.00 0.00 C ATOM 1365 C ARG A 86 -9.319 11.004 -0.055 1.00 0.00 C ATOM 1366 O ARG A 86 -8.928 12.084 -0.496 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.215 8.802 -0.488 1.00 0.00 C ATOM 1368 CG ARG A 86 -7.801 9.212 -1.892 1.00 0.00 C ATOM 1369 CD ARG A 86 -7.645 8.005 -2.802 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.925 8.332 -4.198 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.907 7.437 -5.180 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -7.624 6.168 -4.920 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.174 7.812 -6.424 1.00 0.00 N ATOM 0 H ARG A 86 -8.577 8.509 1.963 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.355 10.453 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.489 8.088 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.174 8.287 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.546 9.889 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.860 9.761 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.630 7.616 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.318 7.214 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.146 9.300 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.419 5.877 -3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.611 5.483 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.393 8.787 -6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.160 7.125 -7.178 1.00 0.00 H new ATOM 1387 N SER A 87 -10.602 10.661 -0.014 1.00 0.00 N ATOM 1388 CA SER A 87 -11.647 11.552 -0.504 1.00 0.00 C ATOM 1389 C SER A 87 -12.588 11.959 0.627 1.00 0.00 C ATOM 1390 O SER A 87 -13.235 11.113 1.244 1.00 0.00 O ATOM 1391 CB SER A 87 -12.441 10.876 -1.623 1.00 0.00 C ATOM 1392 OG SER A 87 -13.343 11.785 -2.231 1.00 0.00 O ATOM 0 H SER A 87 -10.943 9.773 0.353 1.00 0.00 H new ATOM 0 HA SER A 87 -11.169 12.449 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.755 10.483 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.993 10.027 -1.220 1.00 0.00 H new ATOM 0 HG SER A 87 -13.837 11.328 -2.944 1.00 0.00 H new ATOM 1398 N GLU A 88 -12.656 13.260 0.892 1.00 0.00 N ATOM 1399 CA GLU A 88 -13.517 13.779 1.949 1.00 0.00 C ATOM 1400 C GLU A 88 -14.332 14.968 1.451 1.00 0.00 C ATOM 1401 O GLU A 88 -13.988 16.121 1.707 1.00 0.00 O ATOM 1402 CB GLU A 88 -12.679 14.193 3.160 1.00 0.00 C ATOM 1403 CG GLU A 88 -12.158 13.018 3.971 1.00 0.00 C ATOM 1404 CD GLU A 88 -11.911 13.375 5.424 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -12.877 13.341 6.215 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -10.753 13.688 5.770 1.00 0.00 O ATOM 0 H GLU A 88 -12.126 13.973 0.390 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.205 12.987 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.834 14.791 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.281 14.831 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.875 12.199 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.230 12.658 3.527 1.00 0.00 H new ATOM 1413 N SER A 89 -15.416 14.677 0.738 1.00 0.00 N ATOM 1414 CA SER A 89 -16.281 15.722 0.199 1.00 0.00 C ATOM 1415 C SER A 89 -15.455 16.893 -0.325 1.00 0.00 C ATOM 1416 O SER A 89 -15.690 18.044 0.039 1.00 0.00 O ATOM 1417 CB SER A 89 -17.254 16.210 1.273 1.00 0.00 C ATOM 1418 OG SER A 89 -18.389 16.827 0.689 1.00 0.00 O ATOM 0 H SER A 89 -15.716 13.727 0.520 1.00 0.00 H new ATOM 0 HA SER A 89 -16.848 15.300 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.570 15.370 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.750 16.917 1.931 1.00 0.00 H new ATOM 0 HG SER A 89 -18.997 17.129 1.396 1.00 0.00 H new ATOM 1424 N GLY A 90 -14.485 16.588 -1.182 1.00 0.00 N ATOM 1425 CA GLY A 90 -13.639 17.625 -1.743 1.00 0.00 C ATOM 1426 C GLY A 90 -14.368 18.481 -2.759 1.00 0.00 C ATOM 1427 O GLY A 90 -15.238 18.009 -3.491 1.00 0.00 O ATOM 0 H GLY A 90 -14.270 15.642 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.266 18.259 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.771 17.165 -2.216 1.00 0.00 H new ATOM 1431 N PRO A 91 -14.013 19.774 -2.813 1.00 0.00 N ATOM 1432 CA PRO A 91 -14.629 20.725 -3.742 1.00 0.00 C ATOM 1433 C PRO A 91 -14.237 20.458 -5.191 1.00 0.00 C ATOM 1434 O PRO A 91 -15.094 20.376 -6.071 1.00 0.00 O ATOM 1435 CB PRO A 91 -14.078 22.078 -3.281 1.00 0.00 C ATOM 1436 CG PRO A 91 -12.790 21.753 -2.608 1.00 0.00 C ATOM 1437 CD PRO A 91 -12.984 20.405 -1.970 1.00 0.00 C ATOM 0 HA PRO A 91 -15.717 20.663 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.925 22.751 -4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.767 22.574 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.970 21.731 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.539 22.506 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -12.060 19.827 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -13.312 20.494 -0.934 1.00 0.00 H new ATOM 1445 N SER A 92 -12.937 20.320 -5.431 1.00 0.00 N ATOM 1446 CA SER A 92 -12.431 20.065 -6.775 1.00 0.00 C ATOM 1447 C SER A 92 -12.762 18.643 -7.219 1.00 0.00 C ATOM 1448 O SER A 92 -12.942 17.749 -6.392 1.00 0.00 O ATOM 1449 CB SER A 92 -10.918 20.287 -6.824 1.00 0.00 C ATOM 1450 OG SER A 92 -10.457 20.365 -8.162 1.00 0.00 O ATOM 0 H SER A 92 -12.215 20.380 -4.713 1.00 0.00 H new ATOM 0 HA SER A 92 -12.916 20.763 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.665 21.206 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.411 19.472 -6.308 1.00 0.00 H new ATOM 0 HG SER A 92 -9.488 20.509 -8.166 1.00 0.00 H new ATOM 1456 N SER A 93 -12.840 18.442 -8.530 1.00 0.00 N ATOM 1457 CA SER A 93 -13.154 17.130 -9.085 1.00 0.00 C ATOM 1458 C SER A 93 -11.931 16.218 -9.048 1.00 0.00 C ATOM 1459 O SER A 93 -10.796 16.687 -8.961 1.00 0.00 O ATOM 1460 CB SER A 93 -13.657 17.268 -10.523 1.00 0.00 C ATOM 1461 OG SER A 93 -12.672 17.855 -11.355 1.00 0.00 O ATOM 0 H SER A 93 -12.690 19.170 -9.228 1.00 0.00 H new ATOM 0 HA SER A 93 -13.938 16.683 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.928 16.287 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.560 17.878 -10.538 1.00 0.00 H new ATOM 0 HG SER A 93 -13.018 17.930 -12.269 1.00 0.00 H new ATOM 1467 N GLY A 94 -12.171 14.913 -9.116 1.00 0.00 N ATOM 1468 CA GLY A 94 -11.082 13.955 -9.089 1.00 0.00 C ATOM 1469 C GLY A 94 -10.344 13.879 -10.410 1.00 0.00 C ATOM 1470 O GLY A 94 -10.964 13.841 -11.474 1.00 0.00 O ATOM 0 H GLY A 94 -13.101 14.501 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.381 14.228 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.475 12.970 -8.839 1.00 0.00 H new TER 1474 GLY A 94