USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 125 HEC O2A : rot 165:sc= 0 USER MOD Set 2.1: A 105 SER OG : rot 180:sc= -1.13 USER MOD Set 2.2: A 107 SER OG : rot 180:sc= -0.0618 USER MOD Set 3.1: A 41 THR OG1 : rot -78:sc= 0.673 USER MOD Set 3.2: A 43 SER OG : rot 60:sc= 1.08 USER MOD Single : A 1 ASP N :NH3+ -148:sc= 0.189 (180deg=-0.183) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN :FLIP amide:sc= 0.108 F(o=-3.3!,f=0.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 101:sc= 0.933 USER MOD Single : A 14 ASN : amide:sc=-0.00817 X(o=-0.0082,f=-0.079) USER MOD Single : A 17 HIS : no HE2:sc= 0.894 K(o=0.89,f=-3!) USER MOD Single : A 18 SER OG : rot -22:sc= 0.1 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.107 F(o=-1.1,f=-0.11) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 29 THR OG1 : rot -3:sc= 0.566 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.112 (180deg=-0.516) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -0.173 (180deg=-1.63!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 42:sc= -1.2! USER MOD Single : A 55 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.7) USER MOD Single : A 59 ASN : amide:sc= 0.298 K(o=0.3,f=-8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.369 K(o=-0.37,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.74! C(o=-1.7!,f=-9.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -46:sc= 0.941 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Single : A 109 LYS NZ :NH3+ -108:sc= -1.85! (180deg=-4.9!) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.377 F(o=-1.9,f=-0.38) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 118 THR OG1 : rot 56:sc= 0.407 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2D : rot -152:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.372 1.547 17.049 1.00 0.00 N ATOM 2 CA ASP A 1 -8.155 1.312 15.632 1.00 0.00 C ATOM 3 C ASP A 1 -6.730 0.797 15.418 1.00 0.00 C ATOM 4 O ASP A 1 -5.935 0.752 16.355 1.00 0.00 O ATOM 5 CB ASP A 1 -8.316 2.604 14.828 1.00 0.00 C ATOM 6 CG ASP A 1 -9.186 3.674 15.492 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.662 4.340 16.410 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.354 3.801 15.065 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.369 1.364 17.283 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.764 0.911 17.603 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.139 2.535 17.277 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.892 0.583 15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.328 3.024 14.642 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.746 2.359 13.857 1.00 0.00 H new ATOM 15 N VAL A 2 -6.450 0.423 14.178 1.00 0.00 N ATOM 16 CA VAL A 2 -5.135 -0.087 13.829 1.00 0.00 C ATOM 17 C VAL A 2 -5.096 -1.597 14.076 1.00 0.00 C ATOM 18 O VAL A 2 -4.265 -2.301 13.505 1.00 0.00 O ATOM 19 CB VAL A 2 -4.056 0.674 14.602 1.00 0.00 C ATOM 20 CG1 VAL A 2 -2.683 0.487 13.955 1.00 0.00 C ATOM 21 CG2 VAL A 2 -4.410 2.158 14.720 1.00 0.00 C ATOM 0 H VAL A 2 -7.111 0.463 13.403 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.931 0.074 12.770 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.010 0.260 15.609 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.934 1.038 14.524 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.426 -0.572 13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.709 0.861 12.932 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.627 2.676 15.274 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.497 2.592 13.724 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.358 2.265 15.247 1.00 0.00 H new ATOM 31 N THR A 3 -6.004 -2.048 14.928 1.00 0.00 N ATOM 32 CA THR A 3 -6.083 -3.461 15.258 1.00 0.00 C ATOM 33 C THR A 3 -6.057 -4.308 13.985 1.00 0.00 C ATOM 34 O THR A 3 -5.516 -5.413 13.980 1.00 0.00 O ATOM 35 CB THR A 3 -7.338 -3.678 16.107 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.040 -3.029 17.340 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.534 -5.145 16.497 1.00 0.00 C ATOM 0 H THR A 3 -6.691 -1.460 15.400 1.00 0.00 H new ATOM 0 HA THR A 3 -5.219 -3.780 15.841 1.00 0.00 H new ATOM 0 HB THR A 3 -8.212 -3.328 15.558 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.802 -3.119 17.950 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.438 -5.244 17.098 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.629 -5.751 15.596 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.675 -5.486 17.075 1.00 0.00 H new ATOM 45 N ASN A 4 -6.649 -3.759 12.934 1.00 0.00 N ATOM 46 CA ASN A 4 -6.701 -4.451 11.657 1.00 0.00 C ATOM 47 C ASN A 4 -5.337 -4.349 10.972 1.00 0.00 C ATOM 48 O ASN A 4 -4.807 -5.347 10.484 1.00 0.00 O ATOM 49 CB ASN A 4 -7.743 -3.821 10.731 1.00 0.00 C ATOM 50 CG ASN A 4 -8.892 -3.208 11.535 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.180 -3.867 12.654 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 -9.478 -2.205 11.164 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.097 -2.843 12.941 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.969 -5.490 11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.273 -3.052 10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.134 -4.577 10.050 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.206 -1.748 10.294 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.240 -1.823 11.724 1.00 0.00 H new ATOM 59 N ALA A 5 -4.807 -3.135 10.957 1.00 0.00 N ATOM 60 CA ALA A 5 -3.514 -2.890 10.339 1.00 0.00 C ATOM 61 C ALA A 5 -2.476 -3.835 10.948 1.00 0.00 C ATOM 62 O ALA A 5 -1.673 -4.427 10.228 1.00 0.00 O ATOM 63 CB ALA A 5 -3.136 -1.418 10.513 1.00 0.00 C ATOM 0 H ALA A 5 -5.249 -2.310 11.363 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.555 -3.091 9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.167 -1.234 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.890 -0.790 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.082 -1.179 11.575 1.00 0.00 H new ATOM 69 N GLU A 6 -2.526 -3.947 12.267 1.00 0.00 N ATOM 70 CA GLU A 6 -1.599 -4.809 12.981 1.00 0.00 C ATOM 71 C GLU A 6 -1.838 -6.273 12.603 1.00 0.00 C ATOM 72 O GLU A 6 -0.893 -7.052 12.498 1.00 0.00 O ATOM 73 CB GLU A 6 -1.716 -4.608 14.493 1.00 0.00 C ATOM 74 CG GLU A 6 -1.774 -3.120 14.845 1.00 0.00 C ATOM 75 CD GLU A 6 -0.896 -2.809 16.058 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.310 -2.566 15.839 1.00 0.00 O ATOM 77 OE2 GLU A 6 -1.451 -2.821 17.178 1.00 0.00 O ATOM 0 H GLU A 6 -3.194 -3.455 12.860 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.584 -4.539 12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.612 -5.108 14.862 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.864 -5.071 14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.444 -2.528 13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.804 -2.832 15.054 1.00 0.00 H new ATOM 84 N LYS A 7 -3.107 -6.601 12.409 1.00 0.00 N ATOM 85 CA LYS A 7 -3.482 -7.957 12.045 1.00 0.00 C ATOM 86 C LYS A 7 -2.858 -8.308 10.693 1.00 0.00 C ATOM 87 O LYS A 7 -2.193 -9.335 10.561 1.00 0.00 O ATOM 88 CB LYS A 7 -5.003 -8.120 12.080 1.00 0.00 C ATOM 89 CG LYS A 7 -5.398 -9.596 12.013 1.00 0.00 C ATOM 90 CD LYS A 7 -5.593 -10.176 13.416 1.00 0.00 C ATOM 91 CE LYS A 7 -6.878 -11.004 13.493 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.569 -12.407 13.848 1.00 0.00 N ATOM 0 H LYS A 7 -3.888 -5.951 12.497 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.091 -8.669 12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.399 -7.675 12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.449 -7.582 11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.319 -9.704 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.627 -10.159 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.738 -10.799 13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.633 -9.367 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.551 -10.574 14.235 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.397 -10.971 12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.451 -12.955 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.945 -12.819 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.093 -12.435 14.773 1.00 0.00 H new ATOM 106 N LEU A 8 -3.094 -7.437 9.723 1.00 0.00 N ATOM 107 CA LEU A 8 -2.562 -7.643 8.387 1.00 0.00 C ATOM 108 C LEU A 8 -1.061 -7.921 8.477 1.00 0.00 C ATOM 109 O LEU A 8 -0.568 -8.884 7.892 1.00 0.00 O ATOM 110 CB LEU A 8 -2.916 -6.461 7.482 1.00 0.00 C ATOM 111 CG LEU A 8 -4.401 -6.287 7.154 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.587 -5.599 5.801 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.137 -7.627 7.222 1.00 0.00 C ATOM 0 H LEU A 8 -3.647 -6.587 9.836 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.020 -8.517 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.560 -5.547 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.368 -6.569 6.546 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.844 -5.637 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.651 -5.488 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.117 -4.616 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.125 -6.202 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.190 -7.476 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.699 -8.320 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.047 -8.041 8.226 1.00 0.00 H new ATOM 125 N VAL A 9 -0.375 -7.059 9.213 1.00 0.00 N ATOM 126 CA VAL A 9 1.061 -7.199 9.387 1.00 0.00 C ATOM 127 C VAL A 9 1.374 -8.612 9.883 1.00 0.00 C ATOM 128 O VAL A 9 2.207 -9.328 9.332 1.00 0.00 O ATOM 129 CB VAL A 9 1.584 -6.107 10.322 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.109 -6.167 10.437 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.123 -4.723 9.861 1.00 0.00 C ATOM 0 H VAL A 9 -0.787 -6.261 9.696 1.00 0.00 H new ATOM 0 HA VAL A 9 1.576 -7.067 8.436 1.00 0.00 H new ATOM 0 HB VAL A 9 1.166 -6.286 11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.455 -5.380 11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.406 -7.138 10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.554 -6.026 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.509 -3.965 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.498 -4.531 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.034 -4.686 9.855 1.00 0.00 H new ATOM 141 N TYR A 10 0.678 -9.001 10.954 1.00 0.00 N ATOM 142 CA TYR A 10 0.859 -10.311 11.547 1.00 0.00 C ATOM 143 C TYR A 10 0.241 -11.374 10.650 1.00 0.00 C ATOM 144 O TYR A 10 0.377 -12.559 10.952 1.00 0.00 O ATOM 145 CB TYR A 10 0.220 -10.333 12.932 1.00 0.00 C ATOM 146 CG TYR A 10 0.792 -11.393 13.844 1.00 0.00 C ATOM 147 CD1 TYR A 10 0.242 -12.680 13.851 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.872 -11.087 14.680 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.773 -13.663 14.695 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.402 -12.070 15.525 1.00 0.00 C ATOM 151 CZ TYR A 10 1.853 -13.358 15.532 1.00 0.00 C ATOM 152 OH TYR A 10 2.370 -14.315 16.355 1.00 0.00 O ATOM 0 H TYR A 10 -0.016 -8.419 11.423 1.00 0.00 H new ATOM 0 HA TYR A 10 1.923 -10.525 11.648 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.349 -9.356 13.398 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.852 -10.497 12.826 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.592 -12.915 13.206 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.296 -10.094 14.673 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.349 -14.656 14.700 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.234 -11.835 16.171 1.00 0.00 H new ATOM 0 HH TYR A 10 3.115 -13.938 16.867 1.00 0.00 H new ATOM 162 N LYS A 11 -0.414 -10.942 9.583 1.00 0.00 N ATOM 163 CA LYS A 11 -1.042 -11.874 8.662 1.00 0.00 C ATOM 164 C LYS A 11 -0.116 -12.104 7.466 1.00 0.00 C ATOM 165 O LYS A 11 0.501 -13.155 7.310 1.00 0.00 O ATOM 166 CB LYS A 11 -2.438 -11.385 8.273 1.00 0.00 C ATOM 167 CG LYS A 11 -3.228 -12.488 7.565 1.00 0.00 C ATOM 168 CD LYS A 11 -3.969 -11.936 6.346 1.00 0.00 C ATOM 169 CE LYS A 11 -5.418 -12.428 6.316 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.590 -13.469 5.279 1.00 0.00 N ATOM 0 H LYS A 11 -0.524 -9.959 9.335 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.191 -12.841 9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.976 -11.063 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.354 -10.516 7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.550 -13.283 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.942 -12.931 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.952 -10.846 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.457 -12.245 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.692 -12.829 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.088 -11.592 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.579 -13.792 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.348 -13.075 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.965 -14.273 5.487 1.00 0.00 H new ATOM 184 N TYR A 12 -0.031 -11.080 6.613 1.00 0.00 N ATOM 185 CA TYR A 12 0.803 -11.140 5.430 1.00 0.00 C ATOM 186 C TYR A 12 2.206 -11.593 5.808 1.00 0.00 C ATOM 187 O TYR A 12 2.919 -12.102 4.945 1.00 0.00 O ATOM 188 CB TYR A 12 0.839 -9.767 4.765 1.00 0.00 C ATOM 189 CG TYR A 12 -0.483 -9.354 4.162 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.818 -9.761 2.865 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.373 -8.565 4.900 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.044 -9.379 2.306 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.599 -8.183 4.341 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.934 -8.590 3.045 1.00 0.00 C ATOM 195 OH TYR A 12 -4.128 -8.218 2.500 1.00 0.00 O ATOM 0 H TYR A 12 -0.535 -10.201 6.728 1.00 0.00 H new ATOM 0 HA TYR A 12 0.389 -11.861 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.141 -9.023 5.502 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.600 -9.770 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.131 -10.369 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.114 -8.251 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.303 -9.693 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.286 -7.574 4.910 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.627 -7.674 3.145 1.00 0.00 H new ATOM 205 N THR A 13 2.570 -11.403 7.068 1.00 0.00 N ATOM 206 CA THR A 13 3.888 -11.800 7.533 1.00 0.00 C ATOM 207 C THR A 13 3.983 -13.324 7.631 1.00 0.00 C ATOM 208 O THR A 13 5.003 -13.911 7.272 1.00 0.00 O ATOM 209 CB THR A 13 4.156 -11.088 8.860 1.00 0.00 C ATOM 210 OG1 THR A 13 4.405 -9.736 8.485 1.00 0.00 O ATOM 211 CG2 THR A 13 5.463 -11.540 9.515 1.00 0.00 C ATOM 0 H THR A 13 1.975 -10.980 7.781 1.00 0.00 H new ATOM 0 HA THR A 13 4.662 -11.503 6.826 1.00 0.00 H new ATOM 0 HB THR A 13 3.326 -11.271 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.601 -9.199 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.604 -11.004 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.420 -12.611 9.712 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.297 -11.328 8.847 1.00 0.00 H new ATOM 219 N ASN A 14 2.906 -13.921 8.120 1.00 0.00 N ATOM 220 CA ASN A 14 2.855 -15.366 8.270 1.00 0.00 C ATOM 221 C ASN A 14 2.916 -16.020 6.889 1.00 0.00 C ATOM 222 O ASN A 14 3.752 -16.889 6.646 1.00 0.00 O ATOM 223 CB ASN A 14 1.552 -15.803 8.943 1.00 0.00 C ATOM 224 CG ASN A 14 1.804 -16.253 10.384 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.507 -15.612 11.148 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.193 -17.388 10.711 1.00 0.00 N ATOM 0 H ASN A 14 2.062 -13.431 8.417 1.00 0.00 H new ATOM 0 HA ASN A 14 3.700 -15.672 8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.840 -14.978 8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.102 -16.618 8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.299 -17.772 11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.619 -17.875 10.023 1.00 0.00 H new ATOM 233 N ILE A 15 2.019 -15.578 6.019 1.00 0.00 N ATOM 234 CA ILE A 15 1.960 -16.110 4.669 1.00 0.00 C ATOM 235 C ILE A 15 3.353 -16.047 4.039 1.00 0.00 C ATOM 236 O ILE A 15 3.830 -17.032 3.477 1.00 0.00 O ATOM 237 CB ILE A 15 0.885 -15.389 3.854 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.515 -15.859 4.256 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.134 -15.548 2.353 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.415 -14.671 4.601 1.00 0.00 C ATOM 0 H ILE A 15 1.327 -14.857 6.224 1.00 0.00 H new ATOM 0 HA ILE A 15 1.664 -17.159 4.687 1.00 0.00 H new ATOM 0 HB ILE A 15 0.944 -14.324 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.958 -16.431 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.445 -16.528 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.355 -15.026 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.106 -15.126 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.119 -16.606 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.404 -15.033 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.981 -14.115 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.502 -14.017 3.734 1.00 0.00 H new ATOM 252 N ALA A 16 3.968 -14.879 4.155 1.00 0.00 N ATOM 253 CA ALA A 16 5.297 -14.674 3.605 1.00 0.00 C ATOM 254 C ALA A 16 6.237 -15.756 4.139 1.00 0.00 C ATOM 255 O ALA A 16 6.835 -16.502 3.364 1.00 0.00 O ATOM 256 CB ALA A 16 5.779 -13.262 3.945 1.00 0.00 C ATOM 0 H ALA A 16 3.570 -14.064 4.622 1.00 0.00 H new ATOM 0 HA ALA A 16 5.280 -14.759 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.776 -13.109 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.093 -12.531 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.812 -13.140 5.028 1.00 0.00 H new ATOM 262 N HIS A 17 6.339 -15.808 5.459 1.00 0.00 N ATOM 263 CA HIS A 17 7.197 -16.786 6.105 1.00 0.00 C ATOM 264 C HIS A 17 6.769 -18.196 5.693 1.00 0.00 C ATOM 265 O HIS A 17 7.597 -19.102 5.616 1.00 0.00 O ATOM 266 CB HIS A 17 7.200 -16.587 7.622 1.00 0.00 C ATOM 267 CG HIS A 17 8.177 -17.475 8.356 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.524 -17.181 8.462 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.986 -18.652 9.019 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.110 -18.144 9.159 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.155 -19.055 9.503 1.00 0.00 N ATOM 0 H HIS A 17 5.841 -15.188 6.099 1.00 0.00 H new ATOM 0 HA HIS A 17 8.227 -16.646 5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.436 -15.546 7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.197 -16.774 8.005 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.988 -16.362 8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.044 -19.168 9.131 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.159 -18.198 9.410 1.00 0.00 H new ATOM 279 N SER A 18 5.476 -18.337 5.439 1.00 0.00 N ATOM 280 CA SER A 18 4.928 -19.621 5.037 1.00 0.00 C ATOM 281 C SER A 18 5.387 -19.964 3.618 1.00 0.00 C ATOM 282 O SER A 18 5.266 -21.108 3.183 1.00 0.00 O ATOM 283 CB SER A 18 3.400 -19.616 5.115 1.00 0.00 C ATOM 284 OG SER A 18 2.842 -20.867 4.720 1.00 0.00 O ATOM 0 H SER A 18 4.792 -17.583 5.504 1.00 0.00 H new ATOM 0 HA SER A 18 5.297 -20.382 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.090 -19.386 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.007 -18.825 4.476 1.00 0.00 H new ATOM 0 HG SER A 18 3.483 -21.348 4.156 1.00 0.00 H new ATOM 290 N ALA A 19 5.903 -18.952 2.936 1.00 0.00 N ATOM 291 CA ALA A 19 6.380 -19.132 1.576 1.00 0.00 C ATOM 292 C ALA A 19 7.905 -19.256 1.587 1.00 0.00 C ATOM 293 O ALA A 19 8.468 -20.100 0.891 1.00 0.00 O ATOM 294 CB ALA A 19 5.896 -17.970 0.707 1.00 0.00 C ATOM 0 H ALA A 19 6.001 -18.004 3.300 1.00 0.00 H new ATOM 0 HA ALA A 19 5.978 -20.050 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.254 -18.105 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.806 -17.944 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.282 -17.032 1.106 1.00 0.00 H new ATOM 300 N ASN A 20 8.530 -18.403 2.384 1.00 0.00 N ATOM 301 CA ASN A 20 9.979 -18.407 2.495 1.00 0.00 C ATOM 302 C ASN A 20 10.376 -18.155 3.951 1.00 0.00 C ATOM 303 O ASN A 20 9.929 -17.208 4.595 1.00 0.00 O ATOM 304 CB ASN A 20 10.600 -17.301 1.638 1.00 0.00 C ATOM 305 CG ASN A 20 10.790 -17.769 0.194 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.455 -18.915 0.080 1.00 0.00 O flip ATOM 307 ND2 ASN A 20 10.362 -17.131 -0.754 1.00 0.00 N flip ATOM 0 H ASN A 20 8.060 -17.704 2.959 1.00 0.00 H new ATOM 0 HA ASN A 20 10.341 -19.376 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.960 -16.419 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.562 -17.007 2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.859 -16.258 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.507 -17.471 -1.705 1.00 0.00 H new ATOM 314 N PRO A 21 11.237 -19.037 4.462 1.00 0.00 N ATOM 315 CA PRO A 21 11.747 -18.990 5.815 1.00 0.00 C ATOM 316 C PRO A 21 12.636 -17.766 5.984 1.00 0.00 C ATOM 317 O PRO A 21 13.065 -17.493 7.103 1.00 0.00 O ATOM 318 CB PRO A 21 12.552 -20.278 5.976 1.00 0.00 C ATOM 319 CG PRO A 21 12.923 -20.681 4.606 1.00 0.00 C ATOM 320 CD PRO A 21 11.782 -20.162 3.733 1.00 0.00 C ATOM 0 HA PRO A 21 10.958 -18.915 6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.437 -20.114 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.962 -21.052 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.878 -20.248 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.025 -21.763 4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.143 -19.858 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.027 -20.931 3.571 1.00 0.00 H new ATOM 328 N MET A 22 12.894 -17.064 4.890 1.00 0.00 N ATOM 329 CA MET A 22 13.733 -15.879 4.941 1.00 0.00 C ATOM 330 C MET A 22 12.978 -14.699 5.557 1.00 0.00 C ATOM 331 O MET A 22 13.486 -13.970 6.406 1.00 0.00 O ATOM 332 CB MET A 22 14.186 -15.513 3.526 1.00 0.00 C ATOM 333 CG MET A 22 14.855 -16.705 2.839 1.00 0.00 C ATOM 334 SD MET A 22 16.626 -16.482 2.817 1.00 0.00 S ATOM 335 CE MET A 22 17.078 -17.712 1.605 1.00 0.00 C ATOM 0 H MET A 22 12.536 -17.294 3.963 1.00 0.00 H new ATOM 0 HA MET A 22 14.600 -16.097 5.565 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.328 -15.185 2.939 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.882 -14.675 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.603 -17.626 3.364 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.480 -16.806 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.159 -17.708 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.760 -18.696 1.949 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.591 -17.484 0.657 1.00 0.00 H new ATOM 345 N TYR A 23 11.735 -14.526 5.103 1.00 0.00 N ATOM 346 CA TYR A 23 10.889 -13.452 5.585 1.00 0.00 C ATOM 347 C TYR A 23 10.301 -13.826 6.938 1.00 0.00 C ATOM 348 O TYR A 23 9.649 -14.864 7.037 1.00 0.00 O ATOM 349 CB TYR A 23 9.782 -13.184 4.569 1.00 0.00 C ATOM 350 CG TYR A 23 9.174 -11.807 4.691 1.00 0.00 C ATOM 351 CD1 TYR A 23 8.108 -11.589 5.572 1.00 0.00 C ATOM 352 CD2 TYR A 23 9.675 -10.750 3.923 1.00 0.00 C ATOM 353 CE1 TYR A 23 7.544 -10.312 5.685 1.00 0.00 C ATOM 354 CE2 TYR A 23 9.111 -9.474 4.036 1.00 0.00 C ATOM 355 CZ TYR A 23 8.045 -9.255 4.917 1.00 0.00 C ATOM 356 OH TYR A 23 7.496 -8.011 5.028 1.00 0.00 O ATOM 0 H TYR A 23 11.298 -15.122 4.400 1.00 0.00 H new ATOM 0 HA TYR A 23 11.480 -12.544 5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.185 -13.307 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.998 -13.931 4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.721 -12.405 6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.497 -10.919 3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.722 -10.143 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.498 -8.658 3.444 1.00 0.00 H new ATOM 0 HH TYR A 23 7.962 -7.393 4.427 1.00 0.00 H new ATOM 366 N GLU A 24 10.536 -12.990 7.938 1.00 0.00 N ATOM 367 CA GLU A 24 10.020 -13.252 9.271 1.00 0.00 C ATOM 368 C GLU A 24 9.107 -12.111 9.721 1.00 0.00 C ATOM 369 O GLU A 24 8.023 -12.350 10.252 1.00 0.00 O ATOM 370 CB GLU A 24 11.160 -13.469 10.268 1.00 0.00 C ATOM 371 CG GLU A 24 12.051 -14.636 9.838 1.00 0.00 C ATOM 372 CD GLU A 24 12.135 -15.696 10.939 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.055 -16.159 11.364 1.00 0.00 O ATOM 374 OE2 GLU A 24 13.278 -16.018 11.330 1.00 0.00 O ATOM 0 H GLU A 24 11.077 -12.130 7.852 1.00 0.00 H new ATOM 0 HA GLU A 24 9.432 -14.169 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.757 -12.561 10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.749 -13.666 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.655 -15.084 8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.050 -14.269 9.605 1.00 0.00 H new ATOM 381 N ALA A 25 9.578 -10.894 9.493 1.00 0.00 N ATOM 382 CA ALA A 25 8.817 -9.714 9.868 1.00 0.00 C ATOM 383 C ALA A 25 8.825 -8.717 8.708 1.00 0.00 C ATOM 384 O ALA A 25 9.477 -8.911 7.685 1.00 0.00 O ATOM 385 CB ALA A 25 9.399 -9.119 11.152 1.00 0.00 C ATOM 0 H ALA A 25 10.477 -10.699 9.053 1.00 0.00 H new ATOM 0 HA ALA A 25 7.778 -9.975 10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.829 -8.234 11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.343 -9.857 11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.440 -8.842 10.985 1.00 0.00 H new ATOM 391 N PRO A 26 8.073 -7.629 8.894 1.00 0.00 N ATOM 392 CA PRO A 26 7.935 -6.558 7.930 1.00 0.00 C ATOM 393 C PRO A 26 9.195 -5.705 7.932 1.00 0.00 C ATOM 394 O PRO A 26 10.196 -6.125 8.510 1.00 0.00 O ATOM 395 CB PRO A 26 6.728 -5.754 8.408 1.00 0.00 C ATOM 396 CG PRO A 26 6.078 -6.583 9.596 1.00 0.00 C ATOM 397 CD PRO A 26 7.293 -7.369 10.085 1.00 0.00 C ATOM 0 HA PRO A 26 7.797 -6.919 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.031 -4.763 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.013 -5.609 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.661 -5.940 10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.273 -7.234 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.866 -6.797 10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.993 -8.297 10.571 1.00 0.00 H new ATOM 405 N SER A 27 9.127 -4.544 7.297 1.00 0.00 N ATOM 406 CA SER A 27 10.274 -3.654 7.238 1.00 0.00 C ATOM 407 C SER A 27 9.817 -2.232 6.907 1.00 0.00 C ATOM 408 O SER A 27 8.716 -2.033 6.396 1.00 0.00 O ATOM 409 CB SER A 27 11.294 -4.138 6.206 1.00 0.00 C ATOM 410 OG SER A 27 12.471 -3.336 6.201 1.00 0.00 O ATOM 0 H SER A 27 8.295 -4.199 6.819 1.00 0.00 H new ATOM 0 HA SER A 27 10.758 -3.655 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.562 -5.173 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.841 -4.123 5.215 1.00 0.00 H new ATOM 0 HG SER A 27 13.098 -3.679 5.530 1.00 0.00 H new ATOM 416 N ILE A 28 10.686 -1.279 7.212 1.00 0.00 N ATOM 417 CA ILE A 28 10.386 0.118 6.952 1.00 0.00 C ATOM 418 C ILE A 28 11.523 0.737 6.137 1.00 0.00 C ATOM 419 O ILE A 28 12.084 1.760 6.525 1.00 0.00 O ATOM 420 CB ILE A 28 10.096 0.856 8.262 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.334 0.885 9.160 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.884 0.252 8.974 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.332 2.125 10.056 1.00 0.00 C ATOM 0 H ILE A 28 11.598 -1.448 7.637 1.00 0.00 H new ATOM 0 HA ILE A 28 9.479 0.208 6.354 1.00 0.00 H new ATOM 0 HB ILE A 28 9.847 1.890 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.362 -0.014 9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.234 0.878 8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.699 0.794 9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.008 0.327 8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.080 -0.796 9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.223 2.121 10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.329 3.022 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.443 2.117 10.687 1.00 0.00 H new ATOM 435 N THR A 29 11.828 0.090 5.022 1.00 0.00 N ATOM 436 CA THR A 29 12.888 0.564 4.148 1.00 0.00 C ATOM 437 C THR A 29 12.756 -0.064 2.759 1.00 0.00 C ATOM 438 O THR A 29 13.758 -0.364 2.112 1.00 0.00 O ATOM 439 CB THR A 29 14.227 0.266 4.825 1.00 0.00 C ATOM 440 OG1 THR A 29 14.337 1.267 5.833 1.00 0.00 O ATOM 441 CG2 THR A 29 15.420 0.532 3.904 1.00 0.00 C ATOM 0 H THR A 29 11.360 -0.758 4.704 1.00 0.00 H new ATOM 0 HA THR A 29 12.819 1.640 3.991 1.00 0.00 H new ATOM 0 HB THR A 29 14.245 -0.774 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.570 1.875 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.346 0.305 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.344 -0.099 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.421 1.580 3.604 1.00 0.00 H new ATOM 449 N ASP A 30 11.511 -0.246 2.343 1.00 0.00 N ATOM 450 CA ASP A 30 11.235 -0.833 1.043 1.00 0.00 C ATOM 451 C ASP A 30 9.996 -0.168 0.440 1.00 0.00 C ATOM 452 O ASP A 30 10.016 0.260 -0.713 1.00 0.00 O ATOM 453 CB ASP A 30 10.954 -2.332 1.165 1.00 0.00 C ATOM 454 CG ASP A 30 11.841 -3.229 0.300 1.00 0.00 C ATOM 455 OD1 ASP A 30 12.431 -2.687 -0.660 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.910 -4.436 0.618 1.00 0.00 O ATOM 0 H ASP A 30 10.682 0.003 2.883 1.00 0.00 H new ATOM 0 HA ASP A 30 12.110 -0.679 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.074 -2.625 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.912 -2.514 0.901 1.00 0.00 H new ATOM 461 N GLY A 31 8.948 -0.100 1.248 1.00 0.00 N ATOM 462 CA GLY A 31 7.702 0.506 0.808 1.00 0.00 C ATOM 463 C GLY A 31 7.969 1.743 -0.052 1.00 0.00 C ATOM 464 O GLY A 31 7.453 1.854 -1.163 1.00 0.00 O ATOM 0 H GLY A 31 8.936 -0.454 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.122 -0.220 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.102 0.784 1.675 1.00 0.00 H new ATOM 468 N LYS A 32 8.774 2.643 0.495 1.00 0.00 N ATOM 469 CA LYS A 32 9.115 3.868 -0.209 1.00 0.00 C ATOM 470 C LYS A 32 9.495 3.532 -1.653 1.00 0.00 C ATOM 471 O LYS A 32 8.725 3.789 -2.576 1.00 0.00 O ATOM 472 CB LYS A 32 10.198 4.637 0.550 1.00 0.00 C ATOM 473 CG LYS A 32 11.251 3.684 1.118 1.00 0.00 C ATOM 474 CD LYS A 32 12.649 4.047 0.613 1.00 0.00 C ATOM 475 CE LYS A 32 13.436 4.812 1.679 1.00 0.00 C ATOM 476 NZ LYS A 32 14.876 4.844 1.337 1.00 0.00 N ATOM 0 H LYS A 32 9.200 2.548 1.417 1.00 0.00 H new ATOM 0 HA LYS A 32 8.254 4.535 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.675 5.355 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.744 5.207 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.232 3.723 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.012 2.660 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.188 3.140 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.568 4.653 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.053 5.829 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.297 4.339 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.396 5.367 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.241 3.872 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.004 5.316 0.419 1.00 0.00 H new ATOM 490 N ILE A 33 10.683 2.965 -1.801 1.00 0.00 N ATOM 491 CA ILE A 33 11.175 2.592 -3.117 1.00 0.00 C ATOM 492 C ILE A 33 10.062 1.882 -3.890 1.00 0.00 C ATOM 493 O ILE A 33 9.668 2.327 -4.967 1.00 0.00 O ATOM 494 CB ILE A 33 12.460 1.771 -2.996 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.594 2.611 -2.405 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.845 1.153 -4.341 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.540 1.746 -1.570 1.00 0.00 C ATOM 0 H ILE A 33 11.319 2.755 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 33 11.445 3.480 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 33 12.275 0.948 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.151 3.093 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.178 3.405 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.762 0.575 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.044 0.498 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.004 1.945 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.337 2.368 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.985 1.284 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.973 0.969 -2.199 1.00 0.00 H new ATOM 509 N PHE A 34 9.586 0.789 -3.310 1.00 0.00 N ATOM 510 CA PHE A 34 8.526 0.013 -3.932 1.00 0.00 C ATOM 511 C PHE A 34 7.318 0.895 -4.255 1.00 0.00 C ATOM 512 O PHE A 34 6.471 0.521 -5.064 1.00 0.00 O ATOM 513 CB PHE A 34 8.106 -1.058 -2.923 1.00 0.00 C ATOM 514 CG PHE A 34 6.797 -1.766 -3.277 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.715 -2.520 -4.405 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.715 -1.641 -2.462 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.500 -3.178 -4.734 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.500 -2.299 -2.790 1.00 0.00 C ATOM 519 CZ PHE A 34 4.418 -3.053 -3.919 1.00 0.00 C ATOM 0 H PHE A 34 9.915 0.423 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 34 8.882 -0.424 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.900 -1.801 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.004 -0.597 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.574 -2.619 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.780 -1.042 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.435 -3.777 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.641 -2.201 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.494 -3.553 -4.169 1.00 0.00 H new ATOM 529 N PHE A 35 7.278 2.049 -3.605 1.00 0.00 N ATOM 530 CA PHE A 35 6.188 2.987 -3.813 1.00 0.00 C ATOM 531 C PHE A 35 6.671 4.233 -4.557 1.00 0.00 C ATOM 532 O PHE A 35 5.900 5.165 -4.780 1.00 0.00 O ATOM 533 CB PHE A 35 5.681 3.398 -2.429 1.00 0.00 C ATOM 534 CG PHE A 35 4.593 4.472 -2.458 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.323 4.145 -2.819 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.895 5.756 -2.124 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.313 5.142 -2.847 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.885 6.753 -2.152 1.00 0.00 C ATOM 539 CZ PHE A 35 2.615 6.425 -2.512 1.00 0.00 C ATOM 0 H PHE A 35 7.983 2.356 -2.934 1.00 0.00 H new ATOM 0 HA PHE A 35 5.405 2.521 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.293 2.516 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.522 3.763 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.083 3.126 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.903 6.017 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.305 4.882 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.125 7.772 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.846 7.183 -2.532 1.00 0.00 H new ATOM 549 N ASN A 36 7.945 4.210 -4.920 1.00 0.00 N ATOM 550 CA ASN A 36 8.540 5.326 -5.635 1.00 0.00 C ATOM 551 C ASN A 36 9.497 4.791 -6.701 1.00 0.00 C ATOM 552 O ASN A 36 10.466 5.459 -7.062 1.00 0.00 O ATOM 553 CB ASN A 36 9.341 6.222 -4.687 1.00 0.00 C ATOM 554 CG ASN A 36 8.418 6.941 -3.701 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.203 6.892 -3.800 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.060 7.610 -2.748 1.00 0.00 N ATOM 0 H ASN A 36 8.582 3.436 -4.732 1.00 0.00 H new ATOM 0 HA ASN A 36 7.735 5.906 -6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.067 5.621 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.905 6.955 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.533 8.124 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.080 7.610 -2.723 1.00 0.00 H new ATOM 563 N ARG A 37 9.193 3.592 -7.176 1.00 0.00 N ATOM 564 CA ARG A 37 10.014 2.961 -8.195 1.00 0.00 C ATOM 565 C ARG A 37 9.299 2.989 -9.547 1.00 0.00 C ATOM 566 O ARG A 37 8.547 2.072 -9.875 1.00 0.00 O ATOM 567 CB ARG A 37 10.333 1.511 -7.825 1.00 0.00 C ATOM 568 CG ARG A 37 11.474 0.963 -8.684 1.00 0.00 C ATOM 569 CD ARG A 37 12.075 -0.297 -8.059 1.00 0.00 C ATOM 570 NE ARG A 37 13.359 -0.626 -8.718 1.00 0.00 N ATOM 571 CZ ARG A 37 14.536 -0.078 -8.387 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.599 0.830 -7.403 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.649 -0.437 -9.040 1.00 0.00 N ATOM 0 H ARG A 37 8.390 3.041 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 37 10.947 3.521 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.606 1.453 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.444 0.894 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.104 0.736 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.248 1.723 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.234 -0.143 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.380 -1.131 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 37 13.347 -1.313 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.751 1.104 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.495 1.247 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.600 -1.127 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.545 -0.020 -8.788 1.00 0.00 H new ATOM 587 N LYS A 38 9.557 4.051 -10.295 1.00 0.00 N ATOM 588 CA LYS A 38 8.947 4.211 -11.604 1.00 0.00 C ATOM 589 C LYS A 38 9.020 2.884 -12.362 1.00 0.00 C ATOM 590 O LYS A 38 10.033 2.579 -12.990 1.00 0.00 O ATOM 591 CB LYS A 38 9.585 5.383 -12.353 1.00 0.00 C ATOM 592 CG LYS A 38 9.125 5.417 -13.812 1.00 0.00 C ATOM 593 CD LYS A 38 9.920 6.449 -14.614 1.00 0.00 C ATOM 594 CE LYS A 38 9.647 7.867 -14.107 1.00 0.00 C ATOM 595 NZ LYS A 38 8.208 8.191 -14.226 1.00 0.00 N ATOM 0 H LYS A 38 10.181 4.810 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 38 7.891 4.463 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.320 6.320 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.671 5.297 -12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.248 4.431 -14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.063 5.657 -13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.985 6.231 -14.539 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.654 6.379 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.961 7.955 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.236 8.584 -14.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.079 9.222 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.848 7.842 -15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.685 7.738 -13.450 1.00 0.00 H new ATOM 609 N PHE A 39 7.934 2.131 -12.278 1.00 0.00 N ATOM 610 CA PHE A 39 7.862 0.843 -12.947 1.00 0.00 C ATOM 611 C PHE A 39 6.997 0.928 -14.207 1.00 0.00 C ATOM 612 O PHE A 39 6.221 1.868 -14.369 1.00 0.00 O ATOM 613 CB PHE A 39 7.217 -0.137 -11.965 1.00 0.00 C ATOM 614 CG PHE A 39 5.848 0.311 -11.448 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.739 0.127 -12.213 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.741 0.893 -10.223 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.469 0.543 -11.732 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.471 1.309 -9.743 1.00 0.00 C ATOM 619 CZ PHE A 39 3.362 1.125 -10.508 1.00 0.00 C ATOM 0 H PHE A 39 7.096 2.388 -11.757 1.00 0.00 H new ATOM 0 HA PHE A 39 8.860 0.522 -13.244 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.111 -1.106 -12.452 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.886 -0.278 -11.116 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.824 -0.335 -13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.622 1.039 -9.616 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.588 0.397 -12.339 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.386 1.771 -8.771 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.396 1.441 -10.143 1.00 0.00 H new ATOM 629 N LYS A 40 7.160 -0.068 -15.066 1.00 0.00 N ATOM 630 CA LYS A 40 6.404 -0.117 -16.306 1.00 0.00 C ATOM 631 C LYS A 40 5.379 -1.250 -16.228 1.00 0.00 C ATOM 632 O LYS A 40 5.704 -2.358 -15.803 1.00 0.00 O ATOM 633 CB LYS A 40 7.348 -0.224 -17.505 1.00 0.00 C ATOM 634 CG LYS A 40 8.049 -1.584 -17.531 1.00 0.00 C ATOM 635 CD LYS A 40 7.634 -2.391 -18.763 1.00 0.00 C ATOM 636 CE LYS A 40 8.418 -3.702 -18.850 1.00 0.00 C ATOM 637 NZ LYS A 40 8.210 -4.345 -20.167 1.00 0.00 N ATOM 0 H LYS A 40 7.804 -0.847 -14.928 1.00 0.00 H new ATOM 0 HA LYS A 40 5.847 0.809 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.786 -0.083 -18.428 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.092 0.572 -17.459 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.129 -1.440 -17.533 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.803 -2.141 -16.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.566 -2.604 -18.720 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.805 -1.801 -19.663 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.480 -3.508 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.099 -4.376 -18.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.749 -5.233 -20.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.198 -4.548 -20.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.536 -3.706 -20.920 1.00 0.00 H new ATOM 651 N THR A 41 4.161 -0.933 -16.643 1.00 0.00 N ATOM 652 CA THR A 41 3.086 -1.911 -16.626 1.00 0.00 C ATOM 653 C THR A 41 3.129 -2.773 -17.889 1.00 0.00 C ATOM 654 O THR A 41 3.629 -2.371 -18.937 1.00 0.00 O ATOM 655 CB THR A 41 1.766 -1.158 -16.447 1.00 0.00 C ATOM 656 OG1 THR A 41 1.546 -0.539 -17.711 1.00 0.00 O ATOM 657 CG2 THR A 41 1.888 0.015 -15.474 1.00 0.00 C ATOM 0 H THR A 41 3.895 -0.013 -16.993 1.00 0.00 H new ATOM 0 HA THR A 41 3.196 -2.606 -15.794 1.00 0.00 H new ATOM 0 HB THR A 41 1.001 -1.847 -16.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.107 0.261 -17.786 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.923 0.515 -15.384 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.199 -0.354 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.629 0.722 -15.847 1.00 0.00 H new ATOM 665 N PRO A 42 2.583 -3.985 -17.763 1.00 0.00 N ATOM 666 CA PRO A 42 2.513 -4.962 -18.829 1.00 0.00 C ATOM 667 C PRO A 42 1.692 -4.402 -19.982 1.00 0.00 C ATOM 668 O PRO A 42 1.671 -5.014 -21.048 1.00 0.00 O ATOM 669 CB PRO A 42 1.823 -6.173 -18.204 1.00 0.00 C ATOM 670 CG PRO A 42 0.979 -5.541 -17.007 1.00 0.00 C ATOM 671 CD PRO A 42 1.986 -4.490 -16.546 1.00 0.00 C ATOM 0 HA PRO A 42 3.492 -5.222 -19.232 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.182 -6.685 -18.922 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.545 -6.905 -17.843 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.036 -5.106 -17.338 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.740 -6.267 -16.230 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.496 -3.693 -15.986 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.738 -4.926 -15.889 1.00 0.00 H new ATOM 679 N SER A 43 1.042 -3.270 -19.753 1.00 0.00 N ATOM 680 CA SER A 43 0.229 -2.652 -20.787 1.00 0.00 C ATOM 681 C SER A 43 0.975 -1.465 -21.399 1.00 0.00 C ATOM 682 O SER A 43 0.361 -0.463 -21.764 1.00 0.00 O ATOM 683 CB SER A 43 -1.122 -2.200 -20.228 1.00 0.00 C ATOM 684 OG SER A 43 -1.130 -0.810 -19.913 1.00 0.00 O ATOM 0 H SER A 43 1.062 -2.765 -18.867 1.00 0.00 H new ATOM 0 HA SER A 43 0.040 -3.393 -21.563 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.905 -2.411 -20.956 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.355 -2.776 -19.333 1.00 0.00 H new ATOM 0 HG SER A 43 -0.948 -0.290 -20.723 1.00 0.00 H new ATOM 690 N GLY A 44 2.288 -1.616 -21.493 1.00 0.00 N ATOM 691 CA GLY A 44 3.124 -0.569 -22.055 1.00 0.00 C ATOM 692 C GLY A 44 2.704 0.807 -21.533 1.00 0.00 C ATOM 693 O GLY A 44 1.997 1.545 -22.216 1.00 0.00 O ATOM 0 H GLY A 44 2.794 -2.448 -21.189 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.167 -0.756 -21.800 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.053 -0.587 -23.143 1.00 0.00 H new ATOM 697 N LYS A 45 3.158 1.109 -20.325 1.00 0.00 N ATOM 698 CA LYS A 45 2.839 2.383 -19.703 1.00 0.00 C ATOM 699 C LYS A 45 3.591 2.500 -18.376 1.00 0.00 C ATOM 700 O LYS A 45 3.448 1.648 -17.500 1.00 0.00 O ATOM 701 CB LYS A 45 1.324 2.549 -19.569 1.00 0.00 C ATOM 702 CG LYS A 45 0.979 3.818 -18.786 1.00 0.00 C ATOM 703 CD LYS A 45 0.820 3.516 -17.295 1.00 0.00 C ATOM 704 CE LYS A 45 -0.646 3.256 -16.941 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.759 2.698 -15.575 1.00 0.00 N ATOM 0 H LYS A 45 3.744 0.494 -19.761 1.00 0.00 H new ATOM 0 HA LYS A 45 3.172 3.209 -20.332 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.870 2.594 -20.559 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.902 1.680 -19.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.763 4.562 -18.928 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.056 4.249 -19.174 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.421 2.646 -17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.196 4.354 -16.708 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.213 4.185 -17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.082 2.563 -17.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.356 1.847 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.187 2.449 -15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.187 3.406 -14.945 1.00 0.00 H new ATOM 719 N GLU A 46 4.376 3.562 -18.269 1.00 0.00 N ATOM 720 CA GLU A 46 5.151 3.801 -17.063 1.00 0.00 C ATOM 721 C GLU A 46 4.288 4.496 -16.007 1.00 0.00 C ATOM 722 O GLU A 46 3.710 5.549 -16.269 1.00 0.00 O ATOM 723 CB GLU A 46 6.406 4.620 -17.371 1.00 0.00 C ATOM 724 CG GLU A 46 7.570 4.198 -16.472 1.00 0.00 C ATOM 725 CD GLU A 46 8.912 4.597 -17.090 1.00 0.00 C ATOM 726 OE1 GLU A 46 8.964 5.703 -17.669 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.856 3.787 -16.969 1.00 0.00 O ATOM 0 H GLU A 46 4.492 4.267 -18.997 1.00 0.00 H new ATOM 0 HA GLU A 46 5.474 2.839 -16.665 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.683 4.488 -18.417 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.197 5.680 -17.228 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.464 4.663 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.543 3.119 -16.318 1.00 0.00 H new ATOM 734 N ALA A 47 4.230 3.878 -14.837 1.00 0.00 N ATOM 735 CA ALA A 47 3.448 4.424 -13.741 1.00 0.00 C ATOM 736 C ALA A 47 4.243 4.296 -12.440 1.00 0.00 C ATOM 737 O ALA A 47 5.403 3.887 -12.455 1.00 0.00 O ATOM 738 CB ALA A 47 2.097 3.708 -13.671 1.00 0.00 C ATOM 0 H ALA A 47 4.712 3.005 -14.624 1.00 0.00 H new ATOM 0 HA ALA A 47 3.248 5.483 -13.903 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.510 4.118 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.559 3.853 -14.608 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.258 2.643 -13.506 1.00 0.00 H new ATOM 744 N ALA A 48 3.587 4.654 -11.345 1.00 0.00 N ATOM 745 CA ALA A 48 4.218 4.584 -10.039 1.00 0.00 C ATOM 746 C ALA A 48 3.150 4.727 -8.953 1.00 0.00 C ATOM 747 O ALA A 48 2.094 5.313 -9.189 1.00 0.00 O ATOM 748 CB ALA A 48 5.301 5.661 -9.936 1.00 0.00 C ATOM 0 H ALA A 48 2.625 4.993 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 48 4.704 3.618 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.774 5.608 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.051 5.498 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.850 6.644 -10.069 1.00 0.00 H new ATOM 754 N CYS A 49 3.461 4.181 -7.786 1.00 0.00 N ATOM 755 CA CYS A 49 2.541 4.240 -6.663 1.00 0.00 C ATOM 756 C CYS A 49 2.484 5.685 -6.164 1.00 0.00 C ATOM 757 O CYS A 49 1.661 6.020 -5.313 1.00 0.00 O ATOM 758 CB CYS A 49 2.941 3.267 -5.552 1.00 0.00 C ATOM 759 SG CYS A 49 3.226 1.546 -6.105 1.00 0.00 S ATOM 0 H CYS A 49 4.337 3.696 -7.594 1.00 0.00 H new ATOM 0 HA CYS A 49 1.548 3.929 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.849 3.636 -5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.160 3.265 -4.792 1.00 0.00 H new ATOM 764 N ALA A 50 3.369 6.503 -6.714 1.00 0.00 N ATOM 765 CA ALA A 50 3.431 7.904 -6.335 1.00 0.00 C ATOM 766 C ALA A 50 2.852 8.759 -7.464 1.00 0.00 C ATOM 767 O ALA A 50 2.855 9.987 -7.382 1.00 0.00 O ATOM 768 CB ALA A 50 4.876 8.280 -6.001 1.00 0.00 C ATOM 0 H ALA A 50 4.050 6.222 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 50 2.833 8.087 -5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.922 9.331 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.230 7.665 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.507 8.112 -6.874 1.00 0.00 H new ATOM 774 N SER A 51 2.369 8.077 -8.492 1.00 0.00 N ATOM 775 CA SER A 51 1.788 8.759 -9.636 1.00 0.00 C ATOM 776 C SER A 51 0.327 9.111 -9.349 1.00 0.00 C ATOM 777 O SER A 51 -0.263 9.938 -10.042 1.00 0.00 O ATOM 778 CB SER A 51 1.889 7.900 -10.898 1.00 0.00 C ATOM 779 OG SER A 51 2.779 8.464 -11.858 1.00 0.00 O ATOM 0 H SER A 51 2.368 7.059 -8.557 1.00 0.00 H new ATOM 0 HA SER A 51 2.349 9.678 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.231 6.900 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.900 7.790 -11.342 1.00 0.00 H new ATOM 0 HG SER A 51 2.817 7.885 -12.648 1.00 0.00 H new ATOM 785 N CYS A 52 -0.213 8.466 -8.326 1.00 0.00 N ATOM 786 CA CYS A 52 -1.594 8.701 -7.938 1.00 0.00 C ATOM 787 C CYS A 52 -1.621 9.062 -6.451 1.00 0.00 C ATOM 788 O CYS A 52 -2.325 9.981 -6.039 1.00 0.00 O ATOM 789 CB CYS A 52 -2.482 7.494 -8.249 1.00 0.00 C ATOM 790 SG CYS A 52 -2.939 7.493 -10.020 1.00 0.00 S ATOM 0 H CYS A 52 0.280 7.781 -7.754 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.002 9.528 -8.519 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.957 6.572 -8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.381 7.525 -7.633 1.00 0.00 H new ATOM 795 N HIS A 53 -0.837 8.313 -5.675 1.00 0.00 N ATOM 796 CA HIS A 53 -0.731 8.508 -4.234 1.00 0.00 C ATOM 797 C HIS A 53 0.481 9.403 -3.917 1.00 0.00 C ATOM 798 O HIS A 53 0.960 9.417 -2.784 1.00 0.00 O ATOM 799 CB HIS A 53 -0.699 7.134 -3.547 1.00 0.00 C ATOM 800 CG HIS A 53 -1.809 6.171 -3.901 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.095 6.435 -3.655 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.779 4.932 -4.494 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.838 5.400 -4.077 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.075 4.444 -4.604 1.00 0.00 N ATOM 0 H HIS A 53 -0.257 7.553 -6.032 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.599 9.035 -3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.253 6.658 -3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.717 7.292 -2.469 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.454 7.284 -3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.888 4.418 -4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.914 5.349 -3.999 1.00 0.00 H new ATOM 812 N THR A 54 0.935 10.122 -4.933 1.00 0.00 N ATOM 813 CA THR A 54 2.074 11.010 -4.771 1.00 0.00 C ATOM 814 C THR A 54 3.237 10.270 -4.108 1.00 0.00 C ATOM 815 O THR A 54 3.074 9.147 -3.634 1.00 0.00 O ATOM 816 CB THR A 54 1.608 12.238 -3.986 1.00 0.00 C ATOM 817 OG1 THR A 54 1.052 11.696 -2.791 1.00 0.00 O ATOM 818 CG2 THR A 54 0.430 12.949 -4.655 1.00 0.00 C ATOM 0 H THR A 54 0.535 10.108 -5.871 1.00 0.00 H new ATOM 0 HA THR A 54 2.453 11.348 -5.736 1.00 0.00 H new ATOM 0 HB THR A 54 2.439 12.935 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.623 10.970 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.139 13.813 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.723 13.280 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.413 12.262 -4.734 1.00 0.00 H new ATOM 826 N ASN A 55 4.386 10.930 -4.096 1.00 0.00 N ATOM 827 CA ASN A 55 5.576 10.349 -3.499 1.00 0.00 C ATOM 828 C ASN A 55 5.253 9.884 -2.078 1.00 0.00 C ATOM 829 O ASN A 55 5.910 8.987 -1.550 1.00 0.00 O ATOM 830 CB ASN A 55 6.707 11.376 -3.414 1.00 0.00 C ATOM 831 CG ASN A 55 6.262 12.620 -2.643 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.250 12.655 -1.424 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.898 13.636 -3.420 1.00 0.00 N ATOM 0 H ASN A 55 4.518 11.861 -4.490 1.00 0.00 H new ATOM 0 HA ASN A 55 5.893 9.514 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.572 10.930 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.022 11.660 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.585 14.512 -3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.932 13.540 -4.435 1.00 0.00 H new ATOM 840 N ASN A 56 4.242 10.514 -1.498 1.00 0.00 N ATOM 841 CA ASN A 56 3.824 10.175 -0.148 1.00 0.00 C ATOM 842 C ASN A 56 2.312 9.948 -0.129 1.00 0.00 C ATOM 843 O ASN A 56 1.521 10.778 -0.573 1.00 0.00 O ATOM 844 CB ASN A 56 4.144 11.309 0.828 1.00 0.00 C ATOM 845 CG ASN A 56 4.582 10.756 2.186 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.307 9.780 2.283 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.101 11.432 3.226 1.00 0.00 N ATOM 0 H ASN A 56 3.700 11.257 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 56 4.360 9.276 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.934 11.937 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.266 11.943 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.335 11.141 4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.499 12.241 3.074 1.00 0.00 H new ATOM 854 N PRO A 57 1.922 8.787 0.403 1.00 0.00 N ATOM 855 CA PRO A 57 0.542 8.367 0.524 1.00 0.00 C ATOM 856 C PRO A 57 -0.153 9.200 1.591 1.00 0.00 C ATOM 857 O PRO A 57 -1.287 9.622 1.370 1.00 0.00 O ATOM 858 CB PRO A 57 0.615 6.899 0.936 1.00 0.00 C ATOM 859 CG PRO A 57 1.930 6.818 1.702 1.00 0.00 C ATOM 860 CD PRO A 57 2.824 7.788 0.934 1.00 0.00 C ATOM 0 HA PRO A 57 -0.024 8.496 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.232 6.613 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.612 6.237 0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.811 7.115 2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.337 5.807 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.571 8.238 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.364 7.279 0.135 1.00 0.00 H new ATOM 868 N ALA A 58 0.523 9.417 2.709 1.00 0.00 N ATOM 869 CA ALA A 58 -0.051 10.198 3.792 1.00 0.00 C ATOM 870 C ALA A 58 -0.481 11.565 3.256 1.00 0.00 C ATOM 871 O ALA A 58 -1.276 12.260 3.886 1.00 0.00 O ATOM 872 CB ALA A 58 0.962 10.311 4.933 1.00 0.00 C ATOM 0 H ALA A 58 1.464 9.066 2.889 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.938 9.707 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.531 10.897 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.212 9.315 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.865 10.802 4.571 1.00 0.00 H new ATOM 878 N ASN A 59 0.065 11.910 2.099 1.00 0.00 N ATOM 879 CA ASN A 59 -0.252 13.181 1.471 1.00 0.00 C ATOM 880 C ASN A 59 -1.506 13.021 0.609 1.00 0.00 C ATOM 881 O ASN A 59 -2.036 11.919 0.478 1.00 0.00 O ATOM 882 CB ASN A 59 0.888 13.648 0.564 1.00 0.00 C ATOM 883 CG ASN A 59 0.909 15.173 0.449 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.108 15.841 0.535 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.120 15.685 0.251 1.00 0.00 N ATOM 0 H ASN A 59 0.725 11.331 1.580 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.409 13.916 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.840 13.297 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.773 13.207 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.239 16.694 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.930 15.069 0.189 1.00 0.00 H new ATOM 892 N VAL A 60 -1.943 14.137 0.044 1.00 0.00 N ATOM 893 CA VAL A 60 -3.125 14.134 -0.802 1.00 0.00 C ATOM 894 C VAL A 60 -2.758 13.581 -2.181 1.00 0.00 C ATOM 895 O VAL A 60 -1.849 14.089 -2.835 1.00 0.00 O ATOM 896 CB VAL A 60 -3.729 15.538 -0.862 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.798 15.629 -1.953 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.298 15.948 0.498 1.00 0.00 C ATOM 0 H VAL A 60 -1.500 15.049 0.155 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.893 13.483 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.931 16.236 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.211 16.637 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.351 15.399 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.594 14.915 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.721 16.950 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.077 15.245 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.502 15.942 1.242 1.00 0.00 H new ATOM 908 N GLY A 61 -3.485 12.549 -2.582 1.00 0.00 N ATOM 909 CA GLY A 61 -3.248 11.922 -3.871 1.00 0.00 C ATOM 910 C GLY A 61 -4.127 12.548 -4.955 1.00 0.00 C ATOM 911 O GLY A 61 -4.757 13.581 -4.729 1.00 0.00 O ATOM 0 H GLY A 61 -4.239 12.131 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.198 12.028 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.454 10.854 -3.803 1.00 0.00 H new ATOM 915 N LYS A 62 -4.142 11.898 -6.109 1.00 0.00 N ATOM 916 CA LYS A 62 -4.934 12.378 -7.229 1.00 0.00 C ATOM 917 C LYS A 62 -4.680 11.487 -8.447 1.00 0.00 C ATOM 918 O LYS A 62 -3.532 11.202 -8.783 1.00 0.00 O ATOM 919 CB LYS A 62 -4.657 13.861 -7.484 1.00 0.00 C ATOM 920 CG LYS A 62 -4.797 14.198 -8.970 1.00 0.00 C ATOM 921 CD LYS A 62 -4.680 15.705 -9.204 1.00 0.00 C ATOM 922 CE LYS A 62 -3.223 16.162 -9.116 1.00 0.00 C ATOM 923 NZ LYS A 62 -3.146 17.557 -8.627 1.00 0.00 N ATOM 0 H LYS A 62 -3.618 11.042 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.998 12.310 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.350 14.469 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.652 14.110 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.027 13.677 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.760 13.843 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.085 15.957 -10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.278 16.239 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.669 15.504 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.752 16.088 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.150 17.852 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.657 18.183 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.577 17.618 -7.682 1.00 0.00 H new ATOM 937 N ASN A 63 -5.771 11.071 -9.073 1.00 0.00 N ATOM 938 CA ASN A 63 -5.681 10.219 -10.246 1.00 0.00 C ATOM 939 C ASN A 63 -5.435 11.085 -11.483 1.00 0.00 C ATOM 940 O ASN A 63 -6.097 12.104 -11.674 1.00 0.00 O ATOM 941 CB ASN A 63 -6.981 9.442 -10.464 1.00 0.00 C ATOM 942 CG ASN A 63 -6.862 8.013 -9.932 1.00 0.00 C ATOM 943 OD1 ASN A 63 -5.923 7.657 -9.239 1.00 0.00 O ATOM 944 ND2 ASN A 63 -7.864 7.216 -10.293 1.00 0.00 N ATOM 0 H ASN A 63 -6.722 11.308 -8.790 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.863 9.516 -10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.803 9.953 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.221 9.419 -11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.877 6.243 -9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.619 7.578 -10.875 1.00 0.00 H new ATOM 951 N ILE A 64 -4.480 10.647 -12.292 1.00 0.00 N ATOM 952 CA ILE A 64 -4.139 11.370 -13.506 1.00 0.00 C ATOM 953 C ILE A 64 -5.101 10.964 -14.624 1.00 0.00 C ATOM 954 O ILE A 64 -4.922 11.358 -15.775 1.00 0.00 O ATOM 955 CB ILE A 64 -2.664 11.160 -13.857 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.454 9.817 -14.561 1.00 0.00 C ATOM 957 CG2 ILE A 64 -1.780 11.301 -12.617 1.00 0.00 C ATOM 958 CD1 ILE A 64 -0.976 9.592 -14.882 1.00 0.00 C ATOM 0 H ILE A 64 -3.933 9.802 -12.131 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.258 12.443 -13.357 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.365 11.941 -14.556 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.819 9.009 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.038 9.789 -15.481 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.737 11.147 -12.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.900 12.299 -12.196 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.072 10.557 -11.876 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.854 8.631 -15.382 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.620 10.388 -15.536 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.398 9.596 -13.958 1.00 0.00 H new ATOM 970 N VAL A 65 -6.102 10.183 -14.245 1.00 0.00 N ATOM 971 CA VAL A 65 -7.093 9.720 -15.201 1.00 0.00 C ATOM 972 C VAL A 65 -8.178 10.787 -15.362 1.00 0.00 C ATOM 973 O VAL A 65 -8.526 11.159 -16.481 1.00 0.00 O ATOM 974 CB VAL A 65 -7.649 8.363 -14.764 1.00 0.00 C ATOM 975 CG1 VAL A 65 -8.844 7.956 -15.628 1.00 0.00 C ATOM 976 CG2 VAL A 65 -6.559 7.289 -14.793 1.00 0.00 C ATOM 0 H VAL A 65 -6.248 9.859 -13.289 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.638 9.569 -16.180 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.997 8.459 -13.736 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.220 6.988 -15.296 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.632 8.703 -15.534 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.533 7.886 -16.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.980 6.334 -14.478 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.167 7.196 -15.806 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.753 7.571 -14.116 1.00 0.00 H new ATOM 986 N THR A 66 -8.681 11.248 -14.227 1.00 0.00 N ATOM 987 CA THR A 66 -9.719 12.265 -14.227 1.00 0.00 C ATOM 988 C THR A 66 -9.151 13.607 -13.762 1.00 0.00 C ATOM 989 O THR A 66 -9.592 14.663 -14.215 1.00 0.00 O ATOM 990 CB THR A 66 -10.875 11.761 -13.361 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.284 11.550 -12.081 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.359 10.372 -13.781 1.00 0.00 C ATOM 0 H THR A 66 -8.389 10.936 -13.301 1.00 0.00 H new ATOM 0 HA THR A 66 -10.100 12.441 -15.233 1.00 0.00 H new ATOM 0 HB THR A 66 -11.704 12.466 -13.417 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.965 11.224 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.180 10.062 -13.134 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.703 10.404 -14.815 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.539 9.659 -13.694 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.182 13.524 -12.863 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.549 14.719 -12.331 1.00 0.00 C ATOM 1002 C GLY A 67 -8.298 15.235 -11.101 1.00 0.00 C ATOM 1003 O GLY A 67 -8.547 16.433 -10.978 1.00 0.00 O ATOM 0 H GLY A 67 -7.819 12.647 -12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.515 14.500 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.524 15.494 -13.097 1.00 0.00 H new ATOM 1007 N LYS A 68 -8.636 14.304 -10.220 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.351 14.650 -9.004 1.00 0.00 C ATOM 1009 C LYS A 68 -8.356 14.766 -7.847 1.00 0.00 C ATOM 1010 O LYS A 68 -7.155 14.912 -8.070 1.00 0.00 O ATOM 1011 CB LYS A 68 -10.481 13.651 -8.744 1.00 0.00 C ATOM 1012 CG LYS A 68 -11.821 14.370 -8.575 1.00 0.00 C ATOM 1013 CD LYS A 68 -12.720 14.148 -9.792 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.143 13.783 -9.363 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.124 14.697 -9.990 1.00 0.00 N ATOM 0 H LYS A 68 -8.428 13.311 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.833 15.622 -9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.545 12.945 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.260 13.071 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.322 14.007 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.650 15.437 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.741 15.051 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.308 13.352 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.362 12.754 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.227 13.838 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.084 14.435 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.924 15.675 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.054 14.624 -11.025 1.00 0.00 H new ATOM 1029 N GLU A 69 -8.892 14.697 -6.638 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.066 14.793 -5.446 1.00 0.00 C ATOM 1031 C GLU A 69 -8.413 13.669 -4.468 1.00 0.00 C ATOM 1032 O GLU A 69 -9.412 13.748 -3.755 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.218 16.163 -4.783 1.00 0.00 C ATOM 1034 CG GLU A 69 -9.693 16.540 -4.633 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.315 16.871 -5.992 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -9.849 17.855 -6.605 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.243 16.132 -6.386 1.00 0.00 O ATOM 0 H GLU A 69 -9.889 14.576 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.022 14.682 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.741 16.152 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.705 16.918 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.237 15.717 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.787 17.398 -3.967 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.568 12.649 -4.466 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.772 11.510 -3.587 1.00 0.00 C ATOM 1046 C ILE A 70 -7.199 11.828 -2.204 1.00 0.00 C ATOM 1047 O ILE A 70 -5.998 12.017 -2.023 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.195 10.239 -4.213 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.900 9.909 -5.531 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.246 9.070 -3.228 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -9.109 9.001 -5.294 1.00 0.00 C ATOM 0 H ILE A 70 -6.740 12.587 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.837 11.318 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.145 10.419 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.222 10.831 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.201 9.420 -6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.830 8.179 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.664 9.317 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.281 8.880 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.592 8.782 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.780 8.070 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.818 9.503 -4.635 1.00 0.00 H new ATOM 1063 N PRO A 71 -8.099 11.885 -1.220 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.779 12.169 0.163 1.00 0.00 C ATOM 1065 C PRO A 71 -6.637 11.271 0.617 1.00 0.00 C ATOM 1066 O PRO A 71 -6.305 10.298 -0.055 1.00 0.00 O ATOM 1067 CB PRO A 71 -9.060 11.858 0.933 1.00 0.00 C ATOM 1068 CG PRO A 71 -10.146 12.056 -0.060 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.518 11.668 -1.397 1.00 0.00 C ATOM 0 HA PRO A 71 -7.457 13.198 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.055 10.838 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.179 12.521 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.011 11.433 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.492 13.090 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.730 10.628 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.912 12.278 -2.210 1.00 0.00 H new ATOM 1077 N PRO A 72 -6.035 11.602 1.762 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.934 10.867 2.347 1.00 0.00 C ATOM 1079 C PRO A 72 -5.201 9.373 2.234 1.00 0.00 C ATOM 1080 O PRO A 72 -6.262 8.925 2.665 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.901 11.308 3.808 1.00 0.00 C ATOM 1082 CG PRO A 72 -6.177 12.281 4.017 1.00 0.00 C ATOM 1083 CD PRO A 72 -6.400 12.740 2.578 1.00 0.00 C ATOM 0 HA PRO A 72 -3.983 11.059 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.955 10.448 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.972 11.831 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.040 11.755 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.962 13.111 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.438 13.028 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.786 13.609 2.341 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.253 8.641 1.667 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.410 7.205 1.509 1.00 0.00 C ATOM 1093 C LEU A 73 -4.041 6.509 2.821 1.00 0.00 C ATOM 1094 O LEU A 73 -4.625 5.485 3.170 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.611 6.708 0.303 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.489 5.190 0.159 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.680 4.615 -0.611 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.154 4.805 -0.481 1.00 0.00 C ATOM 0 H LEU A 73 -3.373 9.016 1.311 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.450 6.956 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.073 7.103 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.607 7.130 0.358 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.507 4.750 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.569 3.534 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.603 4.842 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.718 5.058 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.093 3.720 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.081 5.256 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.335 5.163 0.142 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.072 7.093 3.511 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.618 6.542 4.777 1.00 0.00 C ATOM 1112 C ALA A 74 -3.819 5.992 5.549 1.00 0.00 C ATOM 1113 O ALA A 74 -4.550 6.717 6.221 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.863 7.618 5.561 1.00 0.00 C ATOM 0 H ALA A 74 -2.589 7.942 3.217 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.927 5.716 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.523 7.205 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.003 7.954 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.525 8.463 5.750 1.00 0.00 H new ATOM 1120 N PRO A 75 -4.008 4.676 5.436 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.078 3.947 6.081 1.00 0.00 C ATOM 1122 C PRO A 75 -4.919 4.037 7.592 1.00 0.00 C ATOM 1123 O PRO A 75 -5.881 3.762 8.308 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.917 2.507 5.599 1.00 0.00 C ATOM 1125 CG PRO A 75 -4.033 2.568 4.378 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.167 3.794 4.655 1.00 0.00 C ATOM 0 HA PRO A 75 -6.065 4.342 5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.468 1.885 6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.885 2.067 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.433 1.665 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.614 2.680 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.263 3.524 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.849 4.270 3.728 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.731 4.412 8.043 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.474 4.529 9.468 1.00 0.00 C ATOM 1136 C ARG A 76 -3.704 5.968 9.933 1.00 0.00 C ATOM 1137 O ARG A 76 -4.349 6.198 10.955 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.040 4.114 9.805 1.00 0.00 C ATOM 1139 CG ARG A 76 -1.823 4.069 11.319 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.818 5.135 11.760 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.441 6.036 12.756 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.046 7.297 12.978 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -0.027 7.814 12.278 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.669 8.042 13.902 1.00 0.00 N ATOM 0 H ARG A 76 -2.935 4.639 7.446 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.164 3.862 9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.831 3.135 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.339 4.817 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.773 4.225 11.831 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.463 3.082 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.064 4.660 12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.483 5.710 10.897 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.219 5.674 13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.449 7.248 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.273 8.774 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.444 7.649 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.368 9.002 14.071 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.163 6.899 9.161 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.301 8.309 9.482 1.00 0.00 C ATOM 1160 C VAL A 77 -4.784 8.647 9.649 1.00 0.00 C ATOM 1161 O VAL A 77 -5.157 9.384 10.560 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.612 9.159 8.412 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.106 10.606 8.458 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.090 9.094 8.557 1.00 0.00 C ATOM 0 H VAL A 77 -2.629 6.704 8.314 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.807 8.535 10.427 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.874 8.747 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.600 11.188 7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.182 10.629 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.889 11.034 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.624 9.706 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.802 9.468 9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.758 8.061 8.450 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.589 8.092 8.756 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.023 8.325 8.793 1.00 0.00 C ATOM 1176 C ASN A 78 -7.696 7.206 9.591 1.00 0.00 C ATOM 1177 O ASN A 78 -7.410 6.029 9.379 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.618 8.325 7.384 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.684 9.023 6.394 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.643 9.552 6.750 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.111 8.997 5.135 1.00 0.00 N ATOM 0 H ASN A 78 -5.276 7.481 8.002 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.195 9.296 9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.796 7.299 7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.585 8.828 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.558 9.437 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.992 8.537 4.905 1.00 0.00 H new ATOM 1188 N THR A 79 -8.578 7.614 10.492 1.00 0.00 N ATOM 1189 CA THR A 79 -9.295 6.661 11.322 1.00 0.00 C ATOM 1190 C THR A 79 -10.482 6.074 10.557 1.00 0.00 C ATOM 1191 O THR A 79 -11.137 5.148 11.034 1.00 0.00 O ATOM 1192 CB THR A 79 -9.696 7.370 12.617 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.750 8.244 12.221 1.00 0.00 O ATOM 1194 CG2 THR A 79 -8.606 8.311 13.132 1.00 0.00 C ATOM 0 H THR A 79 -8.812 8.592 10.665 1.00 0.00 H new ATOM 0 HA THR A 79 -8.665 5.810 11.582 1.00 0.00 H new ATOM 0 HB THR A 79 -9.924 6.627 13.381 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.072 8.743 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.942 8.788 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.697 7.742 13.329 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.400 9.075 12.382 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.724 6.636 9.382 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.822 6.180 8.546 1.00 0.00 C ATOM 1204 C LYS A 80 -11.264 5.356 7.384 1.00 0.00 C ATOM 1205 O LYS A 80 -11.690 5.520 6.241 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.685 7.363 8.103 1.00 0.00 C ATOM 1207 CG LYS A 80 -11.883 8.330 7.229 1.00 0.00 C ATOM 1208 CD LYS A 80 -12.081 9.776 7.688 1.00 0.00 C ATOM 1209 CE LYS A 80 -10.801 10.334 8.313 1.00 0.00 C ATOM 1210 NZ LYS A 80 -11.125 11.229 9.446 1.00 0.00 N ATOM 0 H LYS A 80 -10.179 7.403 8.989 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.485 5.526 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.550 6.999 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.065 7.889 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.825 8.073 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.193 8.229 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.374 10.394 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.894 9.823 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.171 9.514 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.231 10.880 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.245 11.599 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.708 12.021 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.650 10.697 10.169 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.319 4.489 7.715 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.698 3.639 6.714 1.00 0.00 C ATOM 1226 C ARG A 81 -9.376 2.266 7.307 1.00 0.00 C ATOM 1227 O ARG A 81 -9.482 2.069 8.517 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.411 4.270 6.177 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.719 5.503 5.326 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.951 5.116 3.864 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.842 6.313 3.000 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.863 7.133 2.719 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.077 6.891 3.232 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.671 8.196 1.926 1.00 0.00 N ATOM 0 H ARG A 81 -9.968 4.357 8.663 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.405 3.526 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.764 4.550 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.865 3.539 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.603 6.008 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.892 6.211 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.220 4.368 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.936 4.664 3.751 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.932 6.527 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.223 6.082 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.855 7.515 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.747 8.381 1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.449 8.820 1.712 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.989 1.353 6.429 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.651 0.004 6.851 1.00 0.00 C ATOM 1250 C PHE A 82 -9.604 -0.483 7.945 1.00 0.00 C ATOM 1251 O PHE A 82 -9.186 -0.717 9.078 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.230 0.056 7.415 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.144 -0.304 6.399 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.425 -0.286 5.069 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.897 -0.640 6.826 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.417 -0.619 4.125 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.889 -0.974 5.883 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.170 -0.956 4.553 1.00 0.00 C ATOM 0 H PHE A 82 -8.902 1.521 5.427 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.729 -0.681 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.038 1.059 7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.161 -0.626 8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.415 -0.018 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.673 -0.653 7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.640 -0.605 3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.899 -1.242 6.222 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.403 -1.209 3.836 1.00 0.00 H new ATOM 1268 N THR A 83 -10.866 -0.621 7.567 1.00 0.00 N ATOM 1269 CA THR A 83 -11.881 -1.077 8.502 1.00 0.00 C ATOM 1270 C THR A 83 -12.210 -2.550 8.256 1.00 0.00 C ATOM 1271 O THR A 83 -12.016 -3.388 9.135 1.00 0.00 O ATOM 1272 CB THR A 83 -13.094 -0.153 8.369 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.575 1.144 8.647 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.129 -0.384 9.472 1.00 0.00 C ATOM 0 H THR A 83 -11.209 -0.425 6.627 1.00 0.00 H new ATOM 0 HA THR A 83 -11.524 -1.024 9.531 1.00 0.00 H new ATOM 0 HB THR A 83 -13.560 -0.304 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.295 1.806 8.581 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.969 0.297 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.485 -1.413 9.427 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.672 -0.200 10.444 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.702 -2.822 7.056 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.060 -4.180 6.684 1.00 0.00 C ATOM 1284 C ASP A 84 -11.816 -4.907 6.168 1.00 0.00 C ATOM 1285 O ASP A 84 -11.313 -4.595 5.090 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.109 -4.188 5.570 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.192 -3.115 5.694 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.803 -3.048 6.783 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.384 -2.385 4.698 1.00 0.00 O ATOM 0 H ASP A 84 -12.861 -2.125 6.329 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.467 -4.675 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.602 -4.062 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.589 -5.167 5.550 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.356 -5.863 6.962 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.181 -6.636 6.599 1.00 0.00 C ATOM 1296 C ILE A 85 -10.522 -7.551 5.421 1.00 0.00 C ATOM 1297 O ILE A 85 -9.733 -7.688 4.488 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.632 -7.381 7.817 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.102 -6.402 8.866 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.575 -8.406 7.403 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -9.863 -6.546 10.186 1.00 0.00 C ATOM 0 H ILE A 85 -11.776 -6.120 7.855 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.378 -5.976 6.269 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.452 -7.933 8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.040 -6.582 9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.198 -5.381 8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.201 -8.921 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.019 -9.131 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.750 -7.897 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.466 -5.838 10.914 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.921 -6.341 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.745 -7.561 10.565 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.699 -8.154 5.502 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.155 -9.052 4.455 1.00 0.00 C ATOM 1315 C ASP A 86 -11.969 -8.377 3.094 1.00 0.00 C ATOM 1316 O ASP A 86 -11.282 -8.908 2.223 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.639 -9.382 4.620 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.969 -10.876 4.654 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.019 -11.662 4.858 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.164 -11.198 4.474 1.00 0.00 O ATOM 0 H ASP A 86 -12.351 -8.038 6.278 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.572 -9.971 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.997 -8.925 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.191 -8.922 3.801 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.593 -7.216 2.955 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.505 -6.463 1.715 1.00 0.00 C ATOM 1327 C LYS A 87 -11.035 -6.175 1.402 1.00 0.00 C ATOM 1328 O LYS A 87 -10.497 -6.680 0.418 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.376 -5.207 1.789 1.00 0.00 C ATOM 1330 CG LYS A 87 -13.309 -4.417 0.480 1.00 0.00 C ATOM 1331 CD LYS A 87 -13.450 -2.915 0.739 1.00 0.00 C ATOM 1332 CE LYS A 87 -12.165 -2.172 0.370 1.00 0.00 C ATOM 1333 NZ LYS A 87 -11.913 -1.068 1.323 1.00 0.00 N ATOM 0 H LYS A 87 -13.161 -6.779 3.680 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.899 -7.048 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.409 -5.488 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.044 -4.578 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.362 -4.616 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.101 -4.750 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.283 -2.519 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.684 -2.744 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.323 -2.864 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.245 -1.776 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.037 -0.574 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.709 -0.399 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.816 -1.454 2.284 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.429 -5.365 2.257 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.032 -5.004 2.083 1.00 0.00 C ATOM 1349 C VAL A 88 -8.246 -6.233 1.622 1.00 0.00 C ATOM 1350 O VAL A 88 -7.253 -6.106 0.906 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.485 -4.394 3.375 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.187 -5.085 3.801 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.280 -2.886 3.226 1.00 0.00 C ATOM 0 H VAL A 88 -10.879 -4.948 3.072 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.927 -4.243 1.310 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.224 -4.555 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.819 -4.633 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.377 -6.145 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.439 -4.970 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.891 -2.478 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.571 -2.693 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.233 -2.411 2.992 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.719 -7.394 2.051 1.00 0.00 N ATOM 1364 CA GLU A 89 -8.072 -8.644 1.691 1.00 0.00 C ATOM 1365 C GLU A 89 -8.503 -9.080 0.289 1.00 0.00 C ATOM 1366 O GLU A 89 -9.106 -10.139 0.122 1.00 0.00 O ATOM 1367 CB GLU A 89 -8.375 -9.734 2.721 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.303 -10.826 2.694 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.892 -12.160 2.230 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.963 -12.524 2.761 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.257 -12.786 1.354 1.00 0.00 O ATOM 0 H GLU A 89 -9.542 -7.495 2.644 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.994 -8.484 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.426 -9.294 3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.351 -10.173 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.494 -10.530 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.871 -10.941 3.688 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.176 -8.241 -0.683 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.522 -8.527 -2.066 1.00 0.00 C ATOM 1380 C ASP A 90 -8.317 -7.266 -2.908 1.00 0.00 C ATOM 1381 O ASP A 90 -7.729 -7.326 -3.987 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.987 -8.947 -2.191 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.229 -10.458 -2.199 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.608 -11.127 -3.052 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.029 -10.909 -1.351 1.00 0.00 O ATOM 0 H ASP A 90 -7.676 -7.364 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.884 -9.339 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.546 -8.509 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.393 -8.524 -3.110 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.814 -6.156 -2.385 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.694 -4.883 -3.076 1.00 0.00 C ATOM 1392 C GLU A 91 -7.222 -4.562 -3.343 1.00 0.00 C ATOM 1393 O GLU A 91 -6.910 -3.705 -4.169 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.364 -3.761 -2.280 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.883 -3.798 -2.453 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.333 -2.834 -3.552 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.873 -3.025 -4.699 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.127 -1.926 -3.221 1.00 0.00 O ATOM 0 H GLU A 91 -9.301 -6.111 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.209 -4.961 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.112 -3.859 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.980 -2.796 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.200 -4.811 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.366 -3.534 -1.512 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.356 -5.267 -2.630 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.925 -5.068 -2.780 1.00 0.00 C ATOM 1407 C PHE A 92 -4.361 -5.955 -3.892 1.00 0.00 C ATOM 1408 O PHE A 92 -3.311 -5.656 -4.458 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.277 -5.462 -1.452 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.529 -4.320 -0.761 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.644 -3.563 -1.463 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.750 -4.061 0.556 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -1.951 -2.503 -0.822 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.056 -3.001 1.198 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.171 -2.244 0.495 1.00 0.00 C ATOM 0 H PHE A 92 -6.618 -5.977 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.720 -4.030 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.049 -5.836 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.582 -6.283 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.468 -3.768 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.453 -4.662 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.249 -1.902 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.231 -2.796 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.643 -1.438 0.982 1.00 0.00 H new ATOM 1425 N THR A 93 -5.085 -7.029 -4.172 1.00 0.00 N ATOM 1426 CA THR A 93 -4.671 -7.962 -5.207 1.00 0.00 C ATOM 1427 C THR A 93 -5.246 -7.545 -6.562 1.00 0.00 C ATOM 1428 O THR A 93 -4.570 -7.645 -7.584 1.00 0.00 O ATOM 1429 CB THR A 93 -5.093 -9.367 -4.773 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.994 -9.835 -3.996 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.164 -10.345 -5.947 1.00 0.00 C ATOM 0 H THR A 93 -5.956 -7.274 -3.700 1.00 0.00 H new ATOM 0 HA THR A 93 -3.588 -7.957 -5.334 1.00 0.00 H new ATOM 0 HB THR A 93 -6.065 -9.319 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.155 -9.637 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.468 -11.327 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.891 -9.986 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.184 -10.419 -6.418 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.490 -7.089 -6.526 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.164 -6.657 -7.738 1.00 0.00 C ATOM 1441 C LYS A 94 -6.498 -5.382 -8.260 1.00 0.00 C ATOM 1442 O LYS A 94 -6.484 -5.126 -9.462 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.667 -6.510 -7.492 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.255 -7.796 -6.909 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.023 -8.580 -7.975 1.00 0.00 C ATOM 1446 CE LYS A 94 -9.995 -10.081 -7.677 1.00 0.00 C ATOM 1447 NZ LYS A 94 -10.499 -10.849 -8.837 1.00 0.00 N ATOM 0 H LYS A 94 -7.048 -7.010 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.065 -7.411 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.848 -5.681 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.170 -6.267 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.455 -8.415 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.921 -7.553 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.055 -8.232 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.586 -8.392 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.977 -10.392 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.605 -10.295 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.473 -11.865 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.478 -10.564 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.901 -10.658 -9.666 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.955 -4.605 -7.323 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.277 -3.351 -7.629 1.00 0.00 C ATOM 1463 C HIS A 95 -3.968 -3.638 -8.386 1.00 0.00 C ATOM 1464 O HIS A 95 -3.759 -3.186 -9.510 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.094 -2.554 -6.329 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.746 -1.091 -6.471 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.756 -0.460 -7.650 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.374 -0.152 -5.539 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.406 0.822 -7.459 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.159 1.066 -6.173 1.00 0.00 N ATOM 0 H HIS A 95 -5.974 -4.830 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.873 -2.728 -8.296 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.015 -2.630 -5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.310 -3.034 -5.743 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.991 -0.883 -8.548 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.266 -0.332 -4.480 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.334 1.559 -8.245 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.089 -4.405 -7.737 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.811 -4.768 -8.314 1.00 0.00 C ATOM 1480 C CYS A 96 -2.033 -5.446 -9.659 1.00 0.00 C ATOM 1481 O CYS A 96 -1.125 -5.427 -10.488 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.064 -5.693 -7.357 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.183 -4.681 -6.141 1.00 0.00 S ATOM 0 H CYS A 96 -3.250 -4.785 -6.804 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.209 -3.873 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.763 -6.363 -6.856 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.362 -6.319 -7.908 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.211 -6.023 -9.849 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.521 -6.698 -11.098 1.00 0.00 C ATOM 1490 C ASN A 97 -3.962 -5.663 -12.135 1.00 0.00 C ATOM 1491 O ASN A 97 -4.040 -5.965 -13.325 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.663 -7.699 -10.914 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.152 -9.138 -11.020 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.557 -9.541 -12.005 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.418 -9.886 -9.954 1.00 0.00 N ATOM 0 H ASN A 97 -3.962 -6.037 -9.159 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.627 -7.228 -11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.132 -7.546 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.430 -7.525 -11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.119 -10.861 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.921 -9.485 -9.162 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.240 -4.463 -11.646 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.671 -3.382 -12.516 1.00 0.00 C ATOM 1504 C ASP A 98 -3.641 -2.252 -12.466 1.00 0.00 C ATOM 1505 O ASP A 98 -3.846 -1.194 -13.061 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.018 -2.815 -12.063 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.197 -3.134 -12.984 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.936 -3.336 -14.190 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.332 -3.168 -12.462 1.00 0.00 O ATOM 0 H ASP A 98 -4.175 -4.216 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.769 -3.780 -13.526 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.240 -3.199 -11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.928 -1.732 -11.975 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.557 -2.513 -11.752 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.494 -1.531 -11.617 1.00 0.00 C ATOM 1516 C ILE A 99 -0.189 -2.121 -12.155 1.00 0.00 C ATOM 1517 O ILE A 99 0.489 -1.497 -12.970 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.398 -1.041 -10.171 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.706 -0.383 -9.726 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.197 -0.112 -9.986 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.961 0.910 -10.504 1.00 0.00 C ATOM 0 H ILE A 99 -2.391 -3.391 -11.260 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.714 -0.646 -12.215 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.238 -1.906 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.535 -1.074 -9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.664 -0.167 -8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.152 0.222 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.719 -0.648 -10.235 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.301 0.753 -10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.897 1.358 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.142 1.607 -10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.027 0.687 -11.569 1.00 0.00 H new ATOM 1533 N LEU A 100 0.124 -3.316 -11.677 1.00 0.00 N ATOM 1534 CA LEU A 100 1.336 -3.997 -12.099 1.00 0.00 C ATOM 1535 C LEU A 100 0.992 -5.010 -13.193 1.00 0.00 C ATOM 1536 O LEU A 100 1.843 -5.361 -14.009 1.00 0.00 O ATOM 1537 CB LEU A 100 2.053 -4.612 -10.895 1.00 0.00 C ATOM 1538 CG LEU A 100 2.774 -3.629 -9.970 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.424 -4.360 -8.794 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.784 -2.784 -10.749 1.00 0.00 C ATOM 0 H LEU A 100 -0.441 -3.830 -11.001 1.00 0.00 H new ATOM 0 HA LEU A 100 2.041 -3.287 -12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.322 -5.165 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.781 -5.336 -11.261 1.00 0.00 H new ATOM 0 HG LEU A 100 2.034 -2.945 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.930 -3.639 -8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.657 -4.881 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.149 -5.082 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.283 -2.094 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.525 -3.437 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.265 -2.219 -11.523 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.257 -5.451 -13.175 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.724 -6.416 -14.156 1.00 0.00 C ATOM 1554 C GLY A 101 -0.721 -7.832 -13.576 1.00 0.00 C ATOM 1555 O GLY A 101 -0.835 -8.809 -14.314 1.00 0.00 O ATOM 0 H GLY A 101 -0.960 -5.158 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.731 -6.153 -14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.087 -6.380 -15.039 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.588 -7.897 -12.259 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.568 -9.177 -11.571 1.00 0.00 C ATOM 1561 C ALA A 102 -0.783 -8.950 -10.074 1.00 0.00 C ATOM 1562 O ALA A 102 -1.076 -7.834 -9.647 1.00 0.00 O ATOM 1563 CB ALA A 102 0.750 -9.896 -11.869 1.00 0.00 C ATOM 0 H ALA A 102 -0.493 -7.084 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.376 -9.817 -11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.765 -10.856 -11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.841 -10.060 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.584 -9.285 -11.523 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.629 -10.026 -9.317 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.802 -9.959 -7.876 1.00 0.00 C ATOM 1571 C ASP A 103 0.553 -9.703 -7.214 1.00 0.00 C ATOM 1572 O ASP A 103 1.512 -10.454 -7.380 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.356 -11.274 -7.325 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.093 -11.158 -5.989 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.806 -10.179 -5.267 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.926 -12.050 -5.721 1.00 0.00 O ATOM 0 H ASP A 103 -0.386 -10.950 -9.675 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.503 -9.153 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.036 -11.701 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.531 -11.977 -7.208 1.00 0.00 H new ATOM 1581 N CYS A 104 0.611 -8.609 -6.450 1.00 0.00 N ATOM 1582 CA CYS A 104 1.820 -8.222 -5.752 1.00 0.00 C ATOM 1583 C CYS A 104 2.237 -9.335 -4.801 1.00 0.00 C ATOM 1584 O CYS A 104 1.409 -10.189 -4.490 1.00 0.00 O ATOM 1585 CB CYS A 104 1.574 -6.923 -4.991 1.00 0.00 C ATOM 1586 SG CYS A 104 1.628 -5.544 -6.163 1.00 0.00 S ATOM 0 H CYS A 104 -0.177 -7.977 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 104 2.625 -8.058 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.606 -6.956 -4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.329 -6.790 -4.216 1.00 0.00 H new ATOM 1591 N SER A 105 3.488 -9.308 -4.364 1.00 0.00 N ATOM 1592 CA SER A 105 3.984 -10.326 -3.453 1.00 0.00 C ATOM 1593 C SER A 105 3.503 -10.034 -2.030 1.00 0.00 C ATOM 1594 O SER A 105 3.442 -8.891 -1.584 1.00 0.00 O ATOM 1595 CB SER A 105 5.512 -10.402 -3.492 1.00 0.00 C ATOM 1596 OG SER A 105 6.000 -11.618 -2.932 1.00 0.00 O ATOM 0 H SER A 105 4.172 -8.598 -4.624 1.00 0.00 H new ATOM 0 HA SER A 105 3.591 -11.291 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.853 -10.315 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.931 -9.557 -2.946 1.00 0.00 H new ATOM 0 HG SER A 105 6.979 -11.629 -2.977 1.00 0.00 H new ATOM 1602 N PRO A 106 3.158 -11.110 -1.319 1.00 0.00 N ATOM 1603 CA PRO A 106 2.678 -11.067 0.045 1.00 0.00 C ATOM 1604 C PRO A 106 3.708 -10.374 0.927 1.00 0.00 C ATOM 1605 O PRO A 106 3.368 -9.984 2.043 1.00 0.00 O ATOM 1606 CB PRO A 106 2.509 -12.530 0.447 1.00 0.00 C ATOM 1607 CG PRO A 106 3.294 -13.340 -0.562 1.00 0.00 C ATOM 1608 CD PRO A 106 3.218 -12.469 -1.813 1.00 0.00 C ATOM 0 HA PRO A 106 1.745 -10.513 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.881 -12.701 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.457 -12.816 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.323 -13.501 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.853 -14.324 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.088 -12.619 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.339 -12.711 -2.410 1.00 0.00 H new ATOM 1616 N SER A 107 4.925 -10.237 0.422 1.00 0.00 N ATOM 1617 CA SER A 107 5.982 -9.592 1.183 1.00 0.00 C ATOM 1618 C SER A 107 5.918 -8.076 0.985 1.00 0.00 C ATOM 1619 O SER A 107 6.057 -7.315 1.941 1.00 0.00 O ATOM 1620 CB SER A 107 7.358 -10.123 0.775 1.00 0.00 C ATOM 1621 OG SER A 107 7.747 -9.662 -0.516 1.00 0.00 O ATOM 0 H SER A 107 5.203 -10.561 -0.504 1.00 0.00 H new ATOM 0 HA SER A 107 5.833 -9.821 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.100 -9.811 1.510 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.342 -11.213 0.781 1.00 0.00 H new ATOM 0 HG SER A 107 8.631 -10.021 -0.739 1.00 0.00 H new ATOM 1627 N GLU A 108 5.708 -7.682 -0.263 1.00 0.00 N ATOM 1628 CA GLU A 108 5.625 -6.271 -0.599 1.00 0.00 C ATOM 1629 C GLU A 108 4.328 -5.672 -0.052 1.00 0.00 C ATOM 1630 O GLU A 108 4.147 -4.455 -0.068 1.00 0.00 O ATOM 1631 CB GLU A 108 5.732 -6.060 -2.110 1.00 0.00 C ATOM 1632 CG GLU A 108 6.944 -6.798 -2.682 1.00 0.00 C ATOM 1633 CD GLU A 108 8.250 -6.154 -2.214 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.715 -6.543 -1.121 1.00 0.00 O ATOM 1635 OE2 GLU A 108 8.754 -5.286 -2.959 1.00 0.00 O ATOM 0 H GLU A 108 5.593 -8.316 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 108 6.465 -5.756 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.823 -6.415 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.814 -4.995 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.918 -7.842 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.899 -6.788 -3.771 1.00 0.00 H new ATOM 1642 N LYS A 109 3.458 -6.554 0.420 1.00 0.00 N ATOM 1643 CA LYS A 109 2.184 -6.126 0.971 1.00 0.00 C ATOM 1644 C LYS A 109 2.362 -5.781 2.451 1.00 0.00 C ATOM 1645 O LYS A 109 2.162 -4.636 2.853 1.00 0.00 O ATOM 1646 CB LYS A 109 1.107 -7.182 0.711 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.280 -6.542 0.628 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.644 -6.208 -0.820 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.123 -7.454 -1.566 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.303 -8.040 -0.893 1.00 0.00 N ATOM 0 H LYS A 109 3.611 -7.562 0.432 1.00 0.00 H new ATOM 0 HA LYS A 109 1.838 -5.220 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.325 -7.708 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.121 -7.925 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.023 -7.221 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.302 -5.634 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.425 -5.447 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.223 -5.786 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.375 -7.195 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.320 -8.190 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.029 -8.925 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.668 -7.370 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.042 -8.238 -1.598 1.00 0.00 H new ATOM 1664 N ALA A 110 2.737 -6.793 3.220 1.00 0.00 N ATOM 1665 CA ALA A 110 2.944 -6.611 4.647 1.00 0.00 C ATOM 1666 C ALA A 110 3.976 -5.503 4.870 1.00 0.00 C ATOM 1667 O ALA A 110 4.065 -4.945 5.963 1.00 0.00 O ATOM 1668 CB ALA A 110 3.371 -7.939 5.274 1.00 0.00 C ATOM 0 H ALA A 110 2.903 -7.741 2.882 1.00 0.00 H new ATOM 0 HA ALA A 110 2.018 -6.303 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.526 -7.803 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.593 -8.685 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.299 -8.277 4.813 1.00 0.00 H new ATOM 1674 N ASN A 111 4.728 -5.217 3.818 1.00 0.00 N ATOM 1675 CA ASN A 111 5.750 -4.186 3.885 1.00 0.00 C ATOM 1676 C ASN A 111 5.085 -2.810 3.802 1.00 0.00 C ATOM 1677 O ASN A 111 5.324 -1.950 4.649 1.00 0.00 O ATOM 1678 CB ASN A 111 6.733 -4.308 2.720 1.00 0.00 C ATOM 1679 CG ASN A 111 8.073 -3.654 3.062 1.00 0.00 C ATOM 1680 OD1 ASN A 111 8.002 -2.340 3.251 1.00 0.00 O flip ATOM 1681 ND2 ASN A 111 9.104 -4.301 3.150 1.00 0.00 N flip ATOM 0 H ASN A 111 4.650 -5.682 2.913 1.00 0.00 H new ATOM 0 HA ASN A 111 6.289 -4.306 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.889 -5.360 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.311 -3.837 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.089 -5.309 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.981 -3.834 3.381 1.00 0.00 H new ATOM 1688 N PHE A 112 4.265 -2.646 2.775 1.00 0.00 N ATOM 1689 CA PHE A 112 3.565 -1.389 2.570 1.00 0.00 C ATOM 1690 C PHE A 112 2.639 -1.079 3.748 1.00 0.00 C ATOM 1691 O PHE A 112 2.581 0.057 4.215 1.00 0.00 O ATOM 1692 CB PHE A 112 2.723 -1.547 1.303 1.00 0.00 C ATOM 1693 CG PHE A 112 2.102 -0.242 0.801 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.874 0.678 0.163 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.777 -0.001 0.994 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.298 1.889 -0.302 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.201 1.210 0.528 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.973 2.130 -0.110 1.00 0.00 C ATOM 0 H PHE A 112 4.069 -3.362 2.076 1.00 0.00 H new ATOM 0 HA PHE A 112 4.283 -0.574 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.347 -1.967 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.926 -2.266 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.926 0.487 0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.164 -0.731 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.912 2.619 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.851 1.401 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.534 3.051 -0.464 1.00 0.00 H new ATOM 1708 N ILE A 113 1.938 -2.111 4.195 1.00 0.00 N ATOM 1709 CA ILE A 113 1.017 -1.964 5.310 1.00 0.00 C ATOM 1710 C ILE A 113 1.756 -1.345 6.498 1.00 0.00 C ATOM 1711 O ILE A 113 1.176 -0.575 7.262 1.00 0.00 O ATOM 1712 CB ILE A 113 0.346 -3.301 5.631 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.867 -3.537 4.729 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.017 -3.389 7.115 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.774 -4.895 4.030 1.00 0.00 C ATOM 0 H ILE A 113 1.989 -3.052 3.805 1.00 0.00 H new ATOM 0 HA ILE A 113 0.207 -1.283 5.048 1.00 0.00 H new ATOM 0 HB ILE A 113 1.059 -4.099 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.780 -3.491 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.931 -2.744 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.493 -4.349 7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.887 -3.298 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.705 -2.583 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.648 -5.038 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.128 -4.929 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.735 -5.687 4.778 1.00 0.00 H new ATOM 1727 N ALA A 114 3.026 -1.705 6.617 1.00 0.00 N ATOM 1728 CA ALA A 114 3.850 -1.196 7.699 1.00 0.00 C ATOM 1729 C ALA A 114 4.147 0.285 7.454 1.00 0.00 C ATOM 1730 O ALA A 114 3.661 1.173 8.151 1.00 0.00 O ATOM 1731 CB ALA A 114 5.124 -2.035 7.810 1.00 0.00 C ATOM 0 H ALA A 114 3.504 -2.343 5.981 1.00 0.00 H new ATOM 0 HA ALA A 114 3.325 -1.275 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.742 -1.652 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.860 -3.073 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.680 -1.979 6.874 1.00 0.00 H new ATOM 1737 N TYR A 115 4.969 0.534 6.432 1.00 0.00 N ATOM 1738 CA TYR A 115 5.351 1.885 6.071 1.00 0.00 C ATOM 1739 C TYR A 115 4.143 2.806 6.168 1.00 0.00 C ATOM 1740 O TYR A 115 4.323 3.998 6.409 1.00 0.00 O ATOM 1741 CB TYR A 115 5.922 1.889 4.656 1.00 0.00 C ATOM 1742 CG TYR A 115 7.151 2.753 4.505 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.018 4.110 4.188 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.424 2.197 4.682 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.158 4.911 4.047 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.563 2.998 4.541 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.430 4.355 4.224 1.00 0.00 C ATOM 1748 OH TYR A 115 10.541 5.135 4.087 1.00 0.00 O ATOM 0 H TYR A 115 5.380 -0.191 5.843 1.00 0.00 H new ATOM 0 HA TYR A 115 6.115 2.248 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.169 0.867 4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.155 2.238 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.036 4.539 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.527 1.150 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.056 5.958 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.545 2.569 4.677 1.00 0.00 H new ATOM 0 HH TYR A 115 11.342 4.593 4.244 1.00 0.00 H new ATOM 1758 N LEU A 116 2.955 2.248 5.982 1.00 0.00 N ATOM 1759 CA LEU A 116 1.738 3.038 6.054 1.00 0.00 C ATOM 1760 C LEU A 116 1.363 3.258 7.521 1.00 0.00 C ATOM 1761 O LEU A 116 1.076 4.382 7.930 1.00 0.00 O ATOM 1762 CB LEU A 116 0.628 2.388 5.226 1.00 0.00 C ATOM 1763 CG LEU A 116 0.158 3.173 4.000 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.334 3.866 3.309 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.622 2.274 3.039 1.00 0.00 C ATOM 0 H LEU A 116 2.810 1.258 5.782 1.00 0.00 H new ATOM 0 HA LEU A 116 1.897 4.023 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.975 1.409 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.231 2.219 5.876 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.524 3.954 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.973 4.417 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.809 4.557 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.059 3.118 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.944 2.857 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.017 1.456 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.495 1.867 3.549 1.00 0.00 H new ATOM 1777 N LEU A 117 1.378 2.167 8.272 1.00 0.00 N ATOM 1778 CA LEU A 117 1.043 2.226 9.685 1.00 0.00 C ATOM 1779 C LEU A 117 2.295 2.591 10.486 1.00 0.00 C ATOM 1780 O LEU A 117 2.310 2.469 11.710 1.00 0.00 O ATOM 1781 CB LEU A 117 0.384 0.921 10.135 1.00 0.00 C ATOM 1782 CG LEU A 117 1.336 -0.200 10.559 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.711 -0.071 12.036 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.744 -1.573 10.235 1.00 0.00 C ATOM 0 H LEU A 117 1.617 1.237 7.929 1.00 0.00 H new ATOM 0 HA LEU A 117 0.306 3.008 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.280 1.142 10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.240 0.552 9.321 1.00 0.00 H new ATOM 0 HG LEU A 117 2.257 -0.103 9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.388 -0.880 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.203 0.887 12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.810 -0.128 12.647 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.440 -2.352 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.200 -1.697 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.570 -1.650 9.162 1.00 0.00 H new ATOM 1796 N THR A 118 3.314 3.032 9.763 1.00 0.00 N ATOM 1797 CA THR A 118 4.567 3.415 10.392 1.00 0.00 C ATOM 1798 C THR A 118 4.646 4.936 10.539 1.00 0.00 C ATOM 1799 O THR A 118 4.621 5.457 11.652 1.00 0.00 O ATOM 1800 CB THR A 118 5.711 2.824 9.565 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.688 1.435 9.884 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.085 3.294 10.046 1.00 0.00 C ATOM 0 H THR A 118 3.298 3.133 8.748 1.00 0.00 H new ATOM 0 HA THR A 118 4.640 3.018 11.404 1.00 0.00 H new ATOM 0 HB THR A 118 5.580 3.097 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.798 1.071 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.861 2.845 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.144 4.380 9.973 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.230 2.992 11.083 1.00 0.00 H new ATOM 1810 N GLU A 119 4.741 5.604 9.399 1.00 0.00 N ATOM 1811 CA GLU A 119 4.824 7.055 9.387 1.00 0.00 C ATOM 1812 C GLU A 119 3.544 7.665 9.962 1.00 0.00 C ATOM 1813 O GLU A 119 2.444 7.350 9.511 1.00 0.00 O ATOM 1814 CB GLU A 119 5.093 7.577 7.974 1.00 0.00 C ATOM 1815 CG GLU A 119 3.809 7.590 7.141 1.00 0.00 C ATOM 1816 CD GLU A 119 4.120 7.416 5.653 1.00 0.00 C ATOM 1817 OE1 GLU A 119 4.595 6.316 5.297 1.00 0.00 O ATOM 1818 OE2 GLU A 119 3.875 8.387 4.905 1.00 0.00 O ATOM 0 H GLU A 119 4.762 5.168 8.477 1.00 0.00 H new ATOM 0 HA GLU A 119 5.661 7.357 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.507 8.584 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.840 6.951 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.147 6.791 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.279 8.529 7.298 1.00 0.00 H new ATOM 1825 N THR A 120 3.731 8.527 10.951 1.00 0.00 N ATOM 1826 CA THR A 120 2.605 9.184 11.594 1.00 0.00 C ATOM 1827 C THR A 120 2.679 10.697 11.382 1.00 0.00 C ATOM 1828 O THR A 120 2.432 11.470 12.306 1.00 0.00 O ATOM 1829 CB THR A 120 2.598 8.776 13.068 1.00 0.00 C ATOM 1830 OG1 THR A 120 3.878 9.182 13.546 1.00 0.00 O ATOM 1831 CG2 THR A 120 2.595 7.258 13.256 1.00 0.00 C ATOM 0 H THR A 120 4.645 8.786 11.323 1.00 0.00 H new ATOM 0 HA THR A 120 1.659 8.871 11.152 1.00 0.00 H new ATOM 0 HB THR A 120 1.724 9.204 13.559 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.959 8.957 14.496 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.590 7.023 14.320 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.707 6.835 12.787 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.486 6.832 12.795 1.00 0.00 H new ATOM 1839 N LYS A 121 3.019 11.075 10.158 1.00 0.00 N ATOM 1840 CA LYS A 121 3.129 12.482 9.813 1.00 0.00 C ATOM 1841 C LYS A 121 3.457 12.614 8.325 1.00 0.00 C ATOM 1842 O LYS A 121 4.165 11.799 7.738 1.00 0.00 O ATOM 1843 CB LYS A 121 4.136 13.182 10.729 1.00 0.00 C ATOM 1844 CG LYS A 121 5.540 12.603 10.543 1.00 0.00 C ATOM 1845 CD LYS A 121 6.205 12.333 11.894 1.00 0.00 C ATOM 1846 CE LYS A 121 7.683 12.725 11.866 1.00 0.00 C ATOM 1847 NZ LYS A 121 8.039 13.495 13.079 1.00 0.00 N ATOM 0 H LYS A 121 3.222 10.431 9.393 1.00 0.00 H new ATOM 0 HA LYS A 121 2.178 12.989 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.148 14.250 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.827 13.070 11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.483 11.677 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.150 13.298 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.691 12.894 12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.110 11.277 12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.301 11.830 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.891 13.320 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.046 13.753 13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.462 14.359 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.860 12.915 13.923 1.00 0.00 H new ATOM 1861 N PRO A 122 2.917 13.675 7.720 1.00 0.00 N ATOM 1862 CA PRO A 122 3.096 13.994 6.320 1.00 0.00 C ATOM 1863 C PRO A 122 4.483 14.584 6.104 1.00 0.00 C ATOM 1864 O PRO A 122 5.139 14.933 7.085 1.00 0.00 O ATOM 1865 CB PRO A 122 2.010 15.022 6.010 1.00 0.00 C ATOM 1866 CG PRO A 122 1.847 15.742 7.334 1.00 0.00 C ATOM 1867 CD PRO A 122 2.079 14.653 8.379 1.00 0.00 C ATOM 0 HA PRO A 122 3.017 13.121 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.311 15.702 5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 122 1.082 14.547 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 122 2.567 16.554 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.854 16.182 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.566 15.056 9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.137 14.211 8.704 1.00 0.00 H new ATOM 1875 N THR A 123 4.898 14.683 4.850 1.00 0.00 N ATOM 1876 CA THR A 123 6.206 15.230 4.536 1.00 0.00 C ATOM 1877 C THR A 123 6.364 16.622 5.152 1.00 0.00 C ATOM 1878 O THR A 123 7.481 17.067 5.410 1.00 0.00 O ATOM 1879 CB THR A 123 6.371 15.217 3.015 1.00 0.00 C ATOM 1880 OG1 THR A 123 7.780 15.307 2.817 1.00 0.00 O ATOM 1881 CG2 THR A 123 5.821 16.483 2.355 1.00 0.00 C ATOM 0 H THR A 123 4.351 14.393 4.039 1.00 0.00 H new ATOM 0 HA THR A 123 7.002 14.625 4.969 1.00 0.00 H new ATOM 0 HB THR A 123 5.865 14.344 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 123 7.976 15.303 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 123 5.963 16.422 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.758 16.576 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 123 6.350 17.354 2.742 1.00 0.00 H new ATOM 1889 N LYS A 124 5.229 17.269 5.371 1.00 0.00 N ATOM 1890 CA LYS A 124 5.227 18.601 5.952 1.00 0.00 C ATOM 1891 C LYS A 124 5.734 19.606 4.915 1.00 0.00 C ATOM 1892 O LYS A 124 5.267 19.618 3.778 1.00 0.00 O ATOM 1893 CB LYS A 124 6.020 18.615 7.261 1.00 0.00 C ATOM 1894 CG LYS A 124 5.303 19.446 8.327 1.00 0.00 C ATOM 1895 CD LYS A 124 6.274 19.885 9.425 1.00 0.00 C ATOM 1896 CE LYS A 124 7.062 21.125 8.997 1.00 0.00 C ATOM 1897 NZ LYS A 124 8.516 20.881 9.118 1.00 0.00 N ATOM 1898 OXT LYS A 124 6.630 20.396 5.282 1.00 0.00 O ATOM 0 H LYS A 124 4.304 16.896 5.157 1.00 0.00 H new ATOM 0 HA LYS A 124 4.213 18.900 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 124 6.155 17.595 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.015 19.024 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 124 4.850 20.323 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 124 4.493 18.862 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.721 20.099 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.964 19.072 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.815 21.383 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 124 6.777 21.976 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.036 21.732 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.749 20.657 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.786 20.082 8.509 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.603 2.755 -5.405 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.449 2.657 -3.455 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.903 0.970 -3.000 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.759 2.700 -7.407 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.275 4.682 -7.726 1.00 0.00 C HETATM 1918 NA HEC A 125 -4.076 1.998 -3.598 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.311 2.020 -2.973 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.258 1.281 -1.733 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.999 0.812 -1.604 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.260 1.255 -2.762 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.432 -0.017 -0.488 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.415 1.095 -0.794 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.547 0.246 -1.365 1.00 0.00 C HETATM 1926 CGA HEC A 125 -8.517 -0.180 -0.272 1.00 0.00 C HETATM 1927 O1A HEC A 125 -8.998 0.725 0.444 1.00 0.00 O HETATM 1928 O2A HEC A 125 -8.759 -1.402 -0.172 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.692 2.059 -5.203 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.242 1.222 -4.197 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.027 0.637 -4.563 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.347 1.115 -5.784 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.721 2.000 -6.187 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.808 -0.320 -3.711 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.566 0.811 -6.605 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.850 -0.679 -6.768 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.170 3.467 -7.248 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.936 3.439 -7.874 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.938 4.311 -9.025 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.166 4.866 -9.100 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.936 4.344 -7.996 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.768 4.528 -9.940 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.678 5.844 -10.118 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.444 5.414 -11.564 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.474 3.496 -5.572 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.970 4.300 -6.584 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.327 4.696 -6.289 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.656 4.136 -5.106 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.505 3.388 -4.656 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.177 5.569 -7.166 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.955 4.243 -4.362 1.00 0.00 C HETATM 1952 CBD HEC A 125 -8.796 4.531 -2.872 1.00 0.00 C HETATM 1953 CGD HEC A 125 -9.501 3.475 -2.032 1.00 0.00 C HETATM 1954 O1D HEC A 125 -10.532 2.961 -2.516 1.00 0.00 O HETATM 1955 O2D HEC A 125 -8.995 3.203 -0.922 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.695 6.538 -7.292 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.300 5.096 -8.140 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.154 5.707 -6.704 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.070 4.929 -9.370 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.479 3.579 -10.392 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -1.045 5.233 -10.723 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.058 0.157 -2.763 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.209 -1.211 -3.522 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.725 -0.603 -4.228 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.519 0.529 0.451 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.983 -0.955 -0.415 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.382 -0.228 -0.689 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -7.737 4.558 -2.614 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -9.205 5.515 -2.643 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.375 5.297 -11.740 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -3.948 4.465 -11.748 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.842 6.173 -12.238 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.003 -1.130 -5.787 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.004 -1.159 -7.260 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.746 -0.814 -7.373 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.081 0.812 -2.129 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.133 -0.637 -1.853 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.555 5.034 -4.812 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.510 3.313 -4.484 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -6.054 0.631 0.124 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.810 2.074 -0.522 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.804 5.285 -8.464 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.131 2.692 -8.036 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.330 0.520 -2.189 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.361 2.585 -2.862 1.00 0.00 H new HETATM 0 H2D HEC A 125 -9.214 2.279 -0.680 1.00 0.00 H new HETATM 0 H2A HEC A 125 -9.188 -1.581 0.691 1.00 0.00 H new