USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -140:sc= -1.16 (180deg=-0.877) USER MOD Set 1.2: A 33 SER OG : rot -140:sc= -0.892 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.0627 K(o=0.063,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.16) USER MOD Single : A 45 GLN : amide:sc= -4.86! C(o=-4.9!,f=-4.3!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 109:sc= -5.83! USER MOD Single : A 51 TYR OH : rot -140:sc= -2.08 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 68:sc= 0.0379 USER MOD Single : A 61 THR OG1 : rot -152:sc= -1.19 USER MOD Single : A 65 THR OG1 : rot -130:sc= -3.96! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.724 -8.440 4.061 1.00 0.00 N ATOM 2 CA GLY A 1 30.735 -8.760 3.045 1.00 0.00 C ATOM 3 C GLY A 1 29.931 -7.520 2.653 1.00 0.00 C ATOM 4 O GLY A 1 30.503 -6.495 2.286 1.00 0.00 O ATOM 0 H1 GLY A 1 32.256 -9.298 4.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.379 -7.721 3.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.245 -8.072 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.232 -9.169 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.061 -9.531 3.418 1.00 0.00 H new ATOM 8 N SER A 2 28.615 -7.653 2.745 1.00 0.00 N ATOM 9 CA SER A 2 27.726 -6.556 2.405 1.00 0.00 C ATOM 10 C SER A 2 27.394 -5.743 3.658 1.00 0.00 C ATOM 11 O SER A 2 26.978 -6.302 4.672 1.00 0.00 O ATOM 12 CB SER A 2 26.442 -7.070 1.750 1.00 0.00 C ATOM 13 OG SER A 2 26.619 -7.330 0.360 1.00 0.00 O ATOM 0 H SER A 2 28.144 -8.505 3.050 1.00 0.00 H new ATOM 0 HA SER A 2 28.236 -5.913 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.119 -7.983 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.648 -6.335 1.883 1.00 0.00 H new ATOM 0 HG SER A 2 25.778 -7.658 -0.021 1.00 0.00 H new ATOM 19 N SER A 3 27.591 -4.438 3.547 1.00 0.00 N ATOM 20 CA SER A 3 27.318 -3.543 4.659 1.00 0.00 C ATOM 21 C SER A 3 25.888 -3.009 4.561 1.00 0.00 C ATOM 22 O SER A 3 25.643 -1.995 3.910 1.00 0.00 O ATOM 23 CB SER A 3 28.316 -2.384 4.691 1.00 0.00 C ATOM 24 OG SER A 3 29.379 -2.620 5.611 1.00 0.00 O ATOM 0 H SER A 3 27.936 -3.979 2.704 1.00 0.00 H new ATOM 0 HA SER A 3 27.427 -4.106 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.727 -2.232 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.797 -1.466 4.965 1.00 0.00 H new ATOM 0 HG SER A 3 29.996 -1.858 5.601 1.00 0.00 H new ATOM 30 N GLY A 4 24.980 -3.715 5.219 1.00 0.00 N ATOM 31 CA GLY A 4 23.580 -3.325 5.214 1.00 0.00 C ATOM 32 C GLY A 4 22.672 -4.542 5.027 1.00 0.00 C ATOM 33 O GLY A 4 22.609 -5.413 5.892 1.00 0.00 O ATOM 0 H GLY A 4 25.187 -4.555 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.335 -2.825 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.402 -2.607 4.413 1.00 0.00 H new ATOM 37 N SER A 5 21.991 -4.562 3.890 1.00 0.00 N ATOM 38 CA SER A 5 21.089 -5.658 3.578 1.00 0.00 C ATOM 39 C SER A 5 20.473 -5.450 2.193 1.00 0.00 C ATOM 40 O SER A 5 19.899 -4.398 1.917 1.00 0.00 O ATOM 41 CB SER A 5 19.990 -5.785 4.635 1.00 0.00 C ATOM 42 OG SER A 5 19.971 -7.079 5.232 1.00 0.00 O ATOM 0 H SER A 5 22.046 -3.837 3.174 1.00 0.00 H new ATOM 0 HA SER A 5 21.663 -6.584 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.141 -5.031 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.022 -5.582 4.177 1.00 0.00 H new ATOM 0 HG SER A 5 19.257 -7.120 5.902 1.00 0.00 H new ATOM 48 N SER A 6 20.612 -6.470 1.359 1.00 0.00 N ATOM 49 CA SER A 6 20.076 -6.412 0.010 1.00 0.00 C ATOM 50 C SER A 6 18.857 -7.329 -0.108 1.00 0.00 C ATOM 51 O SER A 6 18.883 -8.466 0.360 1.00 0.00 O ATOM 52 CB SER A 6 21.136 -6.803 -1.021 1.00 0.00 C ATOM 53 OG SER A 6 21.896 -5.680 -1.459 1.00 0.00 O ATOM 0 H SER A 6 21.088 -7.342 1.592 1.00 0.00 H new ATOM 0 HA SER A 6 19.772 -5.385 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.805 -7.547 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.652 -7.270 -1.879 1.00 0.00 H new ATOM 0 HG SER A 6 22.563 -5.972 -2.115 1.00 0.00 H new ATOM 59 N GLY A 7 17.818 -6.800 -0.738 1.00 0.00 N ATOM 60 CA GLY A 7 16.591 -7.556 -0.924 1.00 0.00 C ATOM 61 C GLY A 7 15.800 -7.647 0.383 1.00 0.00 C ATOM 62 O GLY A 7 15.941 -8.612 1.132 1.00 0.00 O ATOM 0 H GLY A 7 17.801 -5.857 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.980 -7.081 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.828 -8.558 -1.281 1.00 0.00 H new ATOM 66 N GLY A 8 14.984 -6.629 0.615 1.00 0.00 N ATOM 67 CA GLY A 8 14.170 -6.582 1.818 1.00 0.00 C ATOM 68 C GLY A 8 13.256 -5.356 1.813 1.00 0.00 C ATOM 69 O GLY A 8 13.238 -4.586 2.773 1.00 0.00 O ATOM 0 H GLY A 8 14.869 -5.831 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.569 -7.488 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.814 -6.556 2.697 1.00 0.00 H new ATOM 73 N THR A 9 12.518 -5.211 0.722 1.00 0.00 N ATOM 74 CA THR A 9 11.604 -4.091 0.580 1.00 0.00 C ATOM 75 C THR A 9 10.342 -4.524 -0.170 1.00 0.00 C ATOM 76 O THR A 9 10.221 -5.681 -0.572 1.00 0.00 O ATOM 77 CB THR A 9 12.357 -2.950 -0.107 1.00 0.00 C ATOM 78 OG1 THR A 9 12.998 -3.575 -1.215 1.00 0.00 O ATOM 79 CG2 THR A 9 13.513 -2.417 0.742 1.00 0.00 C ATOM 0 H THR A 9 12.535 -5.851 -0.072 1.00 0.00 H new ATOM 0 HA THR A 9 11.261 -3.735 1.552 1.00 0.00 H new ATOM 0 HB THR A 9 11.664 -2.138 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.508 -2.906 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.014 -1.609 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.126 -2.041 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.224 -3.221 0.934 1.00 0.00 H new ATOM 87 N VAL A 10 9.435 -3.573 -0.336 1.00 0.00 N ATOM 88 CA VAL A 10 8.187 -3.842 -1.031 1.00 0.00 C ATOM 89 C VAL A 10 7.785 -2.610 -1.844 1.00 0.00 C ATOM 90 O VAL A 10 8.041 -1.480 -1.432 1.00 0.00 O ATOM 91 CB VAL A 10 7.114 -4.274 -0.030 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.714 -4.133 -0.631 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.360 -5.704 0.456 1.00 0.00 C ATOM 0 H VAL A 10 9.539 -2.615 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 10 8.310 -4.668 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 10 7.176 -3.611 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.970 -4.447 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.538 -3.092 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.635 -4.759 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.583 -5.986 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.339 -6.386 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.334 -5.761 0.942 1.00 0.00 H new ATOM 103 N LYS A 11 7.162 -2.870 -2.984 1.00 0.00 N ATOM 104 CA LYS A 11 6.723 -1.796 -3.858 1.00 0.00 C ATOM 105 C LYS A 11 5.304 -1.375 -3.468 1.00 0.00 C ATOM 106 O LYS A 11 4.413 -2.215 -3.353 1.00 0.00 O ATOM 107 CB LYS A 11 6.860 -2.209 -5.325 1.00 0.00 C ATOM 108 CG LYS A 11 8.224 -1.800 -5.884 1.00 0.00 C ATOM 109 CD LYS A 11 8.699 -2.791 -6.949 1.00 0.00 C ATOM 110 CE LYS A 11 10.227 -2.849 -7.001 1.00 0.00 C ATOM 111 NZ LYS A 11 10.675 -3.710 -8.118 1.00 0.00 N ATOM 0 H LYS A 11 6.951 -3.809 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 11 7.361 -0.921 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.734 -3.288 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.068 -1.745 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.160 -0.801 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.953 -1.752 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.301 -3.782 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.309 -2.498 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.631 -1.844 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.614 -3.235 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.714 -3.738 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.305 -4.673 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.321 -3.325 -9.017 1.00 0.00 H new ATOM 125 N VAL A 12 5.139 -0.075 -3.275 1.00 0.00 N ATOM 126 CA VAL A 12 3.845 0.468 -2.900 1.00 0.00 C ATOM 127 C VAL A 12 3.354 1.412 -3.999 1.00 0.00 C ATOM 128 O VAL A 12 3.935 2.475 -4.214 1.00 0.00 O ATOM 129 CB VAL A 12 3.937 1.143 -1.530 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.638 1.878 -1.192 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.292 0.128 -0.441 1.00 0.00 C ATOM 0 H VAL A 12 5.881 0.619 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 12 3.110 -0.331 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 12 4.738 1.881 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.730 2.349 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.446 2.642 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.811 1.168 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.351 0.634 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.524 -0.644 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.254 -0.330 -0.670 1.00 0.00 H new ATOM 141 N TYR A 13 2.291 0.989 -4.667 1.00 0.00 N ATOM 142 CA TYR A 13 1.716 1.784 -5.739 1.00 0.00 C ATOM 143 C TYR A 13 0.806 2.880 -5.182 1.00 0.00 C ATOM 144 O TYR A 13 -0.224 2.588 -4.577 1.00 0.00 O ATOM 145 CB TYR A 13 0.877 0.817 -6.577 1.00 0.00 C ATOM 146 CG TYR A 13 1.704 -0.151 -7.425 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.676 0.334 -8.276 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.478 -1.510 -7.339 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.454 -0.577 -9.075 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.257 -2.421 -8.137 1.00 0.00 C ATOM 151 CZ TYR A 13 3.207 -1.910 -8.965 1.00 0.00 C ATOM 152 OH TYR A 13 3.942 -2.771 -9.719 1.00 0.00 O ATOM 0 H TYR A 13 1.813 0.106 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 13 2.500 2.269 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.232 0.242 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.225 1.393 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.853 1.397 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.717 -1.890 -6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.216 -0.210 -9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.090 -3.487 -8.079 1.00 0.00 H new ATOM 0 HH TYR A 13 3.657 -3.691 -9.536 1.00 0.00 H new ATOM 162 N LEU A 14 1.219 4.119 -5.406 1.00 0.00 N ATOM 163 CA LEU A 14 0.453 5.260 -4.934 1.00 0.00 C ATOM 164 C LEU A 14 -0.626 5.605 -5.962 1.00 0.00 C ATOM 165 O LEU A 14 -0.562 5.162 -7.108 1.00 0.00 O ATOM 166 CB LEU A 14 1.383 6.429 -4.603 1.00 0.00 C ATOM 167 CG LEU A 14 1.944 6.457 -3.180 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.194 7.337 -3.101 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.874 6.890 -2.177 1.00 0.00 C ATOM 0 H LEU A 14 2.074 4.358 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.059 5.016 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.219 6.411 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.842 7.359 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 14 2.245 5.444 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.573 7.340 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.959 6.944 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.941 8.355 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.299 6.901 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.519 7.889 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.040 6.189 -2.210 1.00 0.00 H new ATOM 181 N PRO A 15 -1.619 6.413 -5.503 1.00 0.00 N ATOM 182 CA PRO A 15 -2.711 6.822 -6.370 1.00 0.00 C ATOM 183 C PRO A 15 -2.252 7.892 -7.363 1.00 0.00 C ATOM 184 O PRO A 15 -3.004 8.279 -8.256 1.00 0.00 O ATOM 185 CB PRO A 15 -3.798 7.314 -5.428 1.00 0.00 C ATOM 186 CG PRO A 15 -3.106 7.597 -4.105 1.00 0.00 C ATOM 187 CD PRO A 15 -1.728 6.956 -4.153 1.00 0.00 C ATOM 0 HA PRO A 15 -3.081 6.008 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.276 8.212 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.579 6.564 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.022 8.671 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.687 7.192 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.944 7.687 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.629 6.172 -3.402 1.00 0.00 H new ATOM 195 N ASN A 16 -1.019 8.339 -7.173 1.00 0.00 N ATOM 196 CA ASN A 16 -0.451 9.357 -8.041 1.00 0.00 C ATOM 197 C ASN A 16 0.291 8.680 -9.196 1.00 0.00 C ATOM 198 O ASN A 16 1.357 9.135 -9.605 1.00 0.00 O ATOM 199 CB ASN A 16 0.551 10.230 -7.283 1.00 0.00 C ATOM 200 CG ASN A 16 0.310 11.714 -7.567 1.00 0.00 C ATOM 201 OD1 ASN A 16 0.862 12.294 -8.487 1.00 0.00 O ATOM 202 ND2 ASN A 16 -0.543 12.293 -6.727 1.00 0.00 N ATOM 0 H ASN A 16 -0.398 8.015 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.266 9.980 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.466 10.042 -6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.566 9.961 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.770 13.282 -6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.970 11.748 -5.978 1.00 0.00 H new ATOM 209 N LYS A 17 -0.304 7.603 -9.688 1.00 0.00 N ATOM 210 CA LYS A 17 0.287 6.859 -10.788 1.00 0.00 C ATOM 211 C LYS A 17 1.786 6.686 -10.534 1.00 0.00 C ATOM 212 O LYS A 17 2.568 6.557 -11.474 1.00 0.00 O ATOM 213 CB LYS A 17 -0.037 7.530 -12.124 1.00 0.00 C ATOM 214 CG LYS A 17 -1.457 7.188 -12.580 1.00 0.00 C ATOM 215 CD LYS A 17 -1.475 5.894 -13.395 1.00 0.00 C ATOM 216 CE LYS A 17 -2.046 4.737 -12.574 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.195 3.528 -13.415 1.00 0.00 N ATOM 0 H LYS A 17 -1.189 7.228 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.144 5.860 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.067 8.611 -12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.679 7.208 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.106 7.083 -11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.857 8.005 -13.180 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.073 6.035 -14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.463 5.650 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.389 4.522 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.013 5.020 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.584 2.752 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.840 3.732 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.266 3.249 -13.790 1.00 0.00 H new ATOM 231 N GLN A 18 2.141 6.687 -9.257 1.00 0.00 N ATOM 232 CA GLN A 18 3.532 6.532 -8.867 1.00 0.00 C ATOM 233 C GLN A 18 3.693 5.320 -7.947 1.00 0.00 C ATOM 234 O GLN A 18 2.708 4.694 -7.561 1.00 0.00 O ATOM 235 CB GLN A 18 4.059 7.803 -8.198 1.00 0.00 C ATOM 236 CG GLN A 18 4.428 8.859 -9.241 1.00 0.00 C ATOM 237 CD GLN A 18 5.757 9.533 -8.893 1.00 0.00 C ATOM 238 OE1 GLN A 18 5.822 10.708 -8.571 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.811 8.725 -8.976 1.00 0.00 N ATOM 0 H GLN A 18 1.489 6.793 -8.480 1.00 0.00 H new ATOM 0 HA GLN A 18 4.125 6.362 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.303 8.203 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.933 7.564 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.498 8.395 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.640 9.610 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.686 7.751 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.743 9.080 -8.764 1.00 0.00 H new ATOM 248 N ARG A 19 4.944 5.026 -7.623 1.00 0.00 N ATOM 249 CA ARG A 19 5.247 3.900 -6.756 1.00 0.00 C ATOM 250 C ARG A 19 6.369 4.267 -5.782 1.00 0.00 C ATOM 251 O ARG A 19 7.205 5.117 -6.085 1.00 0.00 O ATOM 252 CB ARG A 19 5.668 2.675 -7.570 1.00 0.00 C ATOM 253 CG ARG A 19 6.791 3.026 -8.548 1.00 0.00 C ATOM 254 CD ARG A 19 7.668 1.806 -8.837 1.00 0.00 C ATOM 255 NE ARG A 19 9.091 2.141 -8.608 1.00 0.00 N ATOM 256 CZ ARG A 19 10.116 1.380 -9.016 1.00 0.00 C ATOM 257 NH1 ARG A 19 9.882 0.237 -9.674 1.00 0.00 N ATOM 258 NH2 ARG A 19 11.376 1.762 -8.765 1.00 0.00 N ATOM 0 H ARG A 19 5.759 5.548 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 19 4.342 3.658 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.000 1.884 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.810 2.287 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.364 3.400 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.402 3.828 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.373 0.976 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.524 1.480 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 19 9.305 3.004 -8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.923 -0.055 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.662 -0.342 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.555 2.632 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.156 1.183 -9.076 1.00 0.00 H new ATOM 272 N THR A 20 6.351 3.608 -4.633 1.00 0.00 N ATOM 273 CA THR A 20 7.356 3.854 -3.613 1.00 0.00 C ATOM 274 C THR A 20 7.760 2.544 -2.935 1.00 0.00 C ATOM 275 O THR A 20 6.904 1.788 -2.478 1.00 0.00 O ATOM 276 CB THR A 20 6.798 4.895 -2.640 1.00 0.00 C ATOM 277 OG1 THR A 20 7.951 5.403 -1.976 1.00 0.00 O ATOM 278 CG2 THR A 20 5.970 4.264 -1.519 1.00 0.00 C ATOM 0 H THR A 20 5.656 2.904 -4.386 1.00 0.00 H new ATOM 0 HA THR A 20 8.272 4.253 -4.049 1.00 0.00 H new ATOM 0 HB THR A 20 6.183 5.610 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.681 6.086 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.598 5.046 -0.857 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.128 3.722 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.593 3.574 -0.951 1.00 0.00 H new ATOM 286 N VAL A 21 9.064 2.315 -2.891 1.00 0.00 N ATOM 287 CA VAL A 21 9.592 1.109 -2.277 1.00 0.00 C ATOM 288 C VAL A 21 9.798 1.352 -0.780 1.00 0.00 C ATOM 289 O VAL A 21 10.562 2.234 -0.390 1.00 0.00 O ATOM 290 CB VAL A 21 10.872 0.673 -2.993 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.014 -0.850 -2.984 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.913 1.219 -4.422 1.00 0.00 C ATOM 0 H VAL A 21 9.771 2.945 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 21 8.883 0.287 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 21 11.719 1.091 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.932 -1.133 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.051 -1.206 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.160 -1.298 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.833 0.895 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.055 0.843 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.880 2.308 -4.396 1.00 0.00 H new ATOM 302 N VAL A 22 9.103 0.555 0.018 1.00 0.00 N ATOM 303 CA VAL A 22 9.200 0.672 1.463 1.00 0.00 C ATOM 304 C VAL A 22 9.966 -0.530 2.018 1.00 0.00 C ATOM 305 O VAL A 22 10.034 -1.578 1.376 1.00 0.00 O ATOM 306 CB VAL A 22 7.804 0.825 2.070 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.887 1.071 3.578 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.022 1.940 1.374 1.00 0.00 C ATOM 0 H VAL A 22 8.470 -0.175 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 22 9.759 1.567 1.737 1.00 0.00 H new ATOM 0 HB VAL A 22 7.265 -0.109 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.881 1.176 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.386 0.229 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.452 1.983 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.034 2.027 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.556 2.883 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.918 1.705 0.315 1.00 0.00 H new ATOM 318 N THR A 23 10.523 -0.340 3.205 1.00 0.00 N ATOM 319 CA THR A 23 11.281 -1.397 3.854 1.00 0.00 C ATOM 320 C THR A 23 10.346 -2.321 4.636 1.00 0.00 C ATOM 321 O THR A 23 9.293 -1.892 5.106 1.00 0.00 O ATOM 322 CB THR A 23 12.355 -0.742 4.724 1.00 0.00 C ATOM 323 OG1 THR A 23 13.074 0.092 3.819 1.00 0.00 O ATOM 324 CG2 THR A 23 13.401 -1.744 5.217 1.00 0.00 C ATOM 0 H THR A 23 10.465 0.530 3.734 1.00 0.00 H new ATOM 0 HA THR A 23 11.778 -2.034 3.122 1.00 0.00 H new ATOM 0 HB THR A 23 11.883 -0.259 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.790 0.557 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.140 -1.227 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.913 -2.516 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.896 -2.203 4.362 1.00 0.00 H new ATOM 332 N VAL A 24 10.763 -3.573 4.751 1.00 0.00 N ATOM 333 CA VAL A 24 9.976 -4.562 5.468 1.00 0.00 C ATOM 334 C VAL A 24 10.520 -4.706 6.891 1.00 0.00 C ATOM 335 O VAL A 24 11.613 -5.233 7.091 1.00 0.00 O ATOM 336 CB VAL A 24 9.966 -5.883 4.696 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.769 -6.745 5.101 1.00 0.00 C ATOM 338 CG2 VAL A 24 9.977 -5.635 3.186 1.00 0.00 C ATOM 0 H VAL A 24 11.636 -3.926 4.359 1.00 0.00 H new ATOM 0 HA VAL A 24 8.938 -4.239 5.547 1.00 0.00 H new ATOM 0 HB VAL A 24 10.874 -6.429 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.785 -7.678 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.823 -6.964 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.845 -6.208 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.970 -6.590 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.095 -5.059 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.874 -5.079 2.915 1.00 0.00 H new ATOM 348 N ARG A 25 9.731 -4.227 7.842 1.00 0.00 N ATOM 349 CA ARG A 25 10.120 -4.296 9.241 1.00 0.00 C ATOM 350 C ARG A 25 9.130 -5.161 10.025 1.00 0.00 C ATOM 351 O ARG A 25 8.111 -4.666 10.503 1.00 0.00 O ATOM 352 CB ARG A 25 10.174 -2.901 9.866 1.00 0.00 C ATOM 353 CG ARG A 25 10.844 -1.902 8.921 1.00 0.00 C ATOM 354 CD ARG A 25 11.548 -0.792 9.705 1.00 0.00 C ATOM 355 NE ARG A 25 12.869 -0.507 9.103 1.00 0.00 N ATOM 356 CZ ARG A 25 13.609 0.572 9.392 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.162 1.474 10.277 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.797 0.749 8.797 1.00 0.00 N ATOM 0 H ARG A 25 8.825 -3.790 7.672 1.00 0.00 H new ATOM 0 HA ARG A 25 11.114 -4.742 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.164 -2.564 10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.723 -2.941 10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.566 -2.421 8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.097 -1.466 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.936 0.110 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.671 -1.092 10.746 1.00 0.00 H new ATOM 0 HE ARG A 25 13.240 -1.174 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.258 1.339 10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.725 2.295 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.138 0.062 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.360 1.570 9.017 1.00 0.00 H new ATOM 372 N ASP A 26 9.466 -6.438 10.131 1.00 0.00 N ATOM 373 CA ASP A 26 8.619 -7.377 10.849 1.00 0.00 C ATOM 374 C ASP A 26 8.369 -6.851 12.264 1.00 0.00 C ATOM 375 O ASP A 26 9.134 -7.142 13.182 1.00 0.00 O ATOM 376 CB ASP A 26 9.291 -8.746 10.965 1.00 0.00 C ATOM 377 CG ASP A 26 9.741 -9.361 9.638 1.00 0.00 C ATOM 378 OD1 ASP A 26 10.830 -8.964 9.169 1.00 0.00 O ATOM 379 OD2 ASP A 26 8.986 -10.213 9.122 1.00 0.00 O ATOM 0 H ASP A 26 10.312 -6.845 9.732 1.00 0.00 H new ATOM 0 HA ASP A 26 7.685 -7.480 10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.159 -8.654 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.599 -9.434 11.450 1.00 0.00 H new ATOM 384 N GLY A 27 7.294 -6.087 12.395 1.00 0.00 N ATOM 385 CA GLY A 27 6.933 -5.519 13.683 1.00 0.00 C ATOM 386 C GLY A 27 5.910 -4.393 13.518 1.00 0.00 C ATOM 387 O GLY A 27 4.765 -4.523 13.948 1.00 0.00 O ATOM 0 H GLY A 27 6.662 -5.848 11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.522 -6.298 14.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.825 -5.135 14.178 1.00 0.00 H new ATOM 391 N MET A 28 6.360 -3.314 12.894 1.00 0.00 N ATOM 392 CA MET A 28 5.498 -2.167 12.667 1.00 0.00 C ATOM 393 C MET A 28 4.240 -2.571 11.896 1.00 0.00 C ATOM 394 O MET A 28 4.193 -3.643 11.294 1.00 0.00 O ATOM 395 CB MET A 28 6.261 -1.103 11.877 1.00 0.00 C ATOM 396 CG MET A 28 6.480 -1.546 10.429 1.00 0.00 C ATOM 397 SD MET A 28 7.718 -0.519 9.656 1.00 0.00 S ATOM 398 CE MET A 28 6.780 0.984 9.435 1.00 0.00 C ATOM 0 H MET A 28 7.310 -3.210 12.539 1.00 0.00 H new ATOM 0 HA MET A 28 5.196 -1.766 13.635 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.706 -0.165 11.894 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.223 -0.913 12.352 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.794 -2.590 10.403 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.544 -1.481 9.875 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.019 1.423 8.467 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.715 0.758 9.477 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.033 1.690 10.226 1.00 0.00 H new ATOM 408 N SER A 29 3.250 -1.691 11.938 1.00 0.00 N ATOM 409 CA SER A 29 1.995 -1.942 11.251 1.00 0.00 C ATOM 410 C SER A 29 2.056 -1.383 9.828 1.00 0.00 C ATOM 411 O SER A 29 3.046 -0.763 9.444 1.00 0.00 O ATOM 412 CB SER A 29 0.818 -1.329 12.012 1.00 0.00 C ATOM 413 OG SER A 29 0.912 -1.557 13.415 1.00 0.00 O ATOM 0 H SER A 29 3.292 -0.803 12.438 1.00 0.00 H new ATOM 0 HA SER A 29 1.841 -3.020 11.205 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.782 -0.257 11.821 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.115 -1.751 11.638 1.00 0.00 H new ATOM 0 HG SER A 29 0.143 -1.149 13.865 1.00 0.00 H new ATOM 419 N VAL A 30 0.986 -1.624 9.085 1.00 0.00 N ATOM 420 CA VAL A 30 0.906 -1.153 7.713 1.00 0.00 C ATOM 421 C VAL A 30 0.577 0.341 7.710 1.00 0.00 C ATOM 422 O VAL A 30 0.961 1.064 6.792 1.00 0.00 O ATOM 423 CB VAL A 30 -0.107 -1.990 6.930 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.319 -1.422 5.525 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.323 -3.457 6.870 1.00 0.00 C ATOM 0 H VAL A 30 0.167 -2.139 9.407 1.00 0.00 H new ATOM 0 HA VAL A 30 1.865 -1.276 7.211 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.060 -1.942 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.044 -2.036 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.692 -0.401 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.628 -1.425 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.415 -4.030 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.293 -3.532 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.398 -3.856 7.882 1.00 0.00 H new ATOM 435 N TYR A 31 -0.132 0.761 8.749 1.00 0.00 N ATOM 436 CA TYR A 31 -0.517 2.156 8.877 1.00 0.00 C ATOM 437 C TYR A 31 0.714 3.055 9.010 1.00 0.00 C ATOM 438 O TYR A 31 0.912 3.964 8.206 1.00 0.00 O ATOM 439 CB TYR A 31 -1.343 2.248 10.162 1.00 0.00 C ATOM 440 CG TYR A 31 -1.654 3.681 10.600 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.710 4.411 11.293 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.879 4.243 10.302 1.00 0.00 C ATOM 443 CE1 TYR A 31 -1.003 5.760 11.705 1.00 0.00 C ATOM 444 CE2 TYR A 31 -3.172 5.591 10.714 1.00 0.00 C ATOM 445 CZ TYR A 31 -2.220 6.283 11.395 1.00 0.00 C ATOM 446 OH TYR A 31 -2.497 7.556 11.784 1.00 0.00 O ATOM 0 H TYR A 31 -0.449 0.159 9.509 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.072 2.484 7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.281 1.711 10.018 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.806 1.742 10.964 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.248 3.971 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.618 3.671 9.760 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.273 6.343 12.248 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.127 6.042 10.487 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.401 7.797 11.494 1.00 0.00 H new ATOM 456 N ASP A 32 1.508 2.769 10.031 1.00 0.00 N ATOM 457 CA ASP A 32 2.714 3.540 10.280 1.00 0.00 C ATOM 458 C ASP A 32 3.649 3.419 9.075 1.00 0.00 C ATOM 459 O ASP A 32 4.463 4.307 8.825 1.00 0.00 O ATOM 460 CB ASP A 32 3.458 3.018 11.510 1.00 0.00 C ATOM 461 CG ASP A 32 2.976 3.584 12.847 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.565 4.765 12.848 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.028 2.824 13.838 1.00 0.00 O ATOM 0 H ASP A 32 1.340 2.014 10.696 1.00 0.00 H new ATOM 0 HA ASP A 32 2.422 4.577 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.366 1.932 11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.518 3.245 11.398 1.00 0.00 H new ATOM 468 N SER A 33 3.501 2.314 8.360 1.00 0.00 N ATOM 469 CA SER A 33 4.322 2.065 7.187 1.00 0.00 C ATOM 470 C SER A 33 3.850 2.939 6.023 1.00 0.00 C ATOM 471 O SER A 33 4.598 3.784 5.534 1.00 0.00 O ATOM 472 CB SER A 33 4.284 0.588 6.791 1.00 0.00 C ATOM 473 OG SER A 33 5.467 -0.102 7.186 1.00 0.00 O ATOM 0 H SER A 33 2.824 1.580 8.570 1.00 0.00 H new ATOM 0 HA SER A 33 5.353 2.321 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.417 0.112 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.160 0.505 5.711 1.00 0.00 H new ATOM 0 HG SER A 33 5.733 -0.727 6.479 1.00 0.00 H new ATOM 479 N LEU A 34 2.612 2.705 5.613 1.00 0.00 N ATOM 480 CA LEU A 34 2.032 3.460 4.516 1.00 0.00 C ATOM 481 C LEU A 34 1.883 4.924 4.933 1.00 0.00 C ATOM 482 O LEU A 34 1.773 5.808 4.084 1.00 0.00 O ATOM 483 CB LEU A 34 0.723 2.816 4.055 1.00 0.00 C ATOM 484 CG LEU A 34 0.835 1.831 2.888 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.503 2.488 1.679 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.557 0.552 3.317 1.00 0.00 C ATOM 0 H LEU A 34 1.995 2.003 6.021 1.00 0.00 H new ATOM 0 HA LEU A 34 2.693 3.440 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.279 2.295 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.031 3.609 3.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.172 1.545 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.570 1.767 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.911 3.345 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.504 2.821 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.623 -0.130 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.561 0.799 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.002 0.075 4.125 1.00 0.00 H new ATOM 498 N ASP A 35 1.883 5.137 6.241 1.00 0.00 N ATOM 499 CA ASP A 35 1.749 6.479 6.781 1.00 0.00 C ATOM 500 C ASP A 35 2.643 7.435 5.989 1.00 0.00 C ATOM 501 O ASP A 35 2.164 8.422 5.434 1.00 0.00 O ATOM 502 CB ASP A 35 2.186 6.529 8.247 1.00 0.00 C ATOM 503 CG ASP A 35 2.343 7.936 8.827 1.00 0.00 C ATOM 504 OD1 ASP A 35 1.455 8.769 8.543 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.347 8.146 9.541 1.00 0.00 O ATOM 0 H ASP A 35 1.974 4.402 6.943 1.00 0.00 H new ATOM 0 HA ASP A 35 0.701 6.769 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.457 5.984 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.136 6.004 8.346 1.00 0.00 H new ATOM 510 N LYS A 36 3.927 7.108 5.961 1.00 0.00 N ATOM 511 CA LYS A 36 4.892 7.925 5.246 1.00 0.00 C ATOM 512 C LYS A 36 4.520 7.965 3.763 1.00 0.00 C ATOM 513 O LYS A 36 4.353 9.041 3.190 1.00 0.00 O ATOM 514 CB LYS A 36 6.315 7.428 5.510 1.00 0.00 C ATOM 515 CG LYS A 36 7.270 8.599 5.745 1.00 0.00 C ATOM 516 CD LYS A 36 8.496 8.499 4.835 1.00 0.00 C ATOM 517 CE LYS A 36 8.227 9.155 3.480 1.00 0.00 C ATOM 518 NZ LYS A 36 9.442 9.115 2.634 1.00 0.00 N ATOM 0 H LYS A 36 4.321 6.288 6.422 1.00 0.00 H new ATOM 0 HA LYS A 36 4.865 8.952 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.319 6.771 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.661 6.837 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.751 9.539 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.587 8.611 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.349 8.981 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.761 7.452 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.409 8.640 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.912 10.188 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.242 9.564 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.213 9.626 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.725 8.126 2.480 1.00 0.00 H new ATOM 532 N ALA A 37 4.400 6.780 3.183 1.00 0.00 N ATOM 533 CA ALA A 37 4.051 6.666 1.777 1.00 0.00 C ATOM 534 C ALA A 37 2.929 7.655 1.453 1.00 0.00 C ATOM 535 O ALA A 37 2.808 8.112 0.318 1.00 0.00 O ATOM 536 CB ALA A 37 3.662 5.220 1.462 1.00 0.00 C ATOM 0 H ALA A 37 4.538 5.890 3.661 1.00 0.00 H new ATOM 0 HA ALA A 37 4.905 6.918 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.400 5.135 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.502 4.561 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.806 4.932 2.072 1.00 0.00 H new ATOM 542 N LEU A 38 2.137 7.957 2.472 1.00 0.00 N ATOM 543 CA LEU A 38 1.030 8.883 2.310 1.00 0.00 C ATOM 544 C LEU A 38 1.509 10.304 2.616 1.00 0.00 C ATOM 545 O LEU A 38 1.421 11.189 1.766 1.00 0.00 O ATOM 546 CB LEU A 38 -0.166 8.442 3.157 1.00 0.00 C ATOM 547 CG LEU A 38 -0.802 7.105 2.774 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.141 6.911 3.489 1.00 0.00 C ATOM 549 CD2 LEU A 38 -0.940 6.978 1.255 1.00 0.00 C ATOM 0 H LEU A 38 2.241 7.576 3.413 1.00 0.00 H new ATOM 0 HA LEU A 38 0.679 8.880 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.152 8.385 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.932 9.216 3.100 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.140 6.305 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.573 5.953 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.983 6.927 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.822 7.715 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.395 6.018 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.569 7.785 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.046 7.041 0.794 1.00 0.00 H new ATOM 561 N LYS A 39 2.007 10.477 3.831 1.00 0.00 N ATOM 562 CA LYS A 39 2.500 11.775 4.260 1.00 0.00 C ATOM 563 C LYS A 39 3.328 12.398 3.133 1.00 0.00 C ATOM 564 O LYS A 39 3.131 13.561 2.784 1.00 0.00 O ATOM 565 CB LYS A 39 3.259 11.650 5.583 1.00 0.00 C ATOM 566 CG LYS A 39 2.367 11.047 6.671 1.00 0.00 C ATOM 567 CD LYS A 39 2.083 12.068 7.774 1.00 0.00 C ATOM 568 CE LYS A 39 1.764 13.442 7.181 1.00 0.00 C ATOM 569 NZ LYS A 39 0.830 14.182 8.059 1.00 0.00 N ATOM 0 H LYS A 39 2.080 9.740 4.532 1.00 0.00 H new ATOM 0 HA LYS A 39 1.669 12.452 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.141 11.025 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.611 12.632 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.428 10.710 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.852 10.169 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.245 11.727 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.947 12.145 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.684 14.013 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.325 13.324 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.624 15.112 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.054 13.643 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.263 14.311 8.996 1.00 0.00 H new ATOM 583 N VAL A 40 4.236 11.597 2.596 1.00 0.00 N ATOM 584 CA VAL A 40 5.094 12.055 1.517 1.00 0.00 C ATOM 585 C VAL A 40 4.278 12.922 0.556 1.00 0.00 C ATOM 586 O VAL A 40 4.771 13.930 0.052 1.00 0.00 O ATOM 587 CB VAL A 40 5.753 10.858 0.829 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.701 9.886 0.291 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.696 11.318 -0.286 1.00 0.00 C ATOM 0 H VAL A 40 4.396 10.633 2.888 1.00 0.00 H new ATOM 0 HA VAL A 40 5.902 12.674 1.907 1.00 0.00 H new ATOM 0 HB VAL A 40 6.347 10.329 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.197 9.045 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.088 9.521 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.068 10.399 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.152 10.448 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.133 11.882 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.476 11.952 0.136 1.00 0.00 H new ATOM 599 N ARG A 41 3.043 12.499 0.331 1.00 0.00 N ATOM 600 CA ARG A 41 2.153 13.224 -0.560 1.00 0.00 C ATOM 601 C ARG A 41 1.167 14.070 0.247 1.00 0.00 C ATOM 602 O ARG A 41 0.696 15.103 -0.228 1.00 0.00 O ATOM 603 CB ARG A 41 1.374 12.264 -1.461 1.00 0.00 C ATOM 604 CG ARG A 41 2.310 11.535 -2.426 1.00 0.00 C ATOM 605 CD ARG A 41 1.517 10.768 -3.486 1.00 0.00 C ATOM 606 NE ARG A 41 1.945 11.187 -4.840 1.00 0.00 N ATOM 607 CZ ARG A 41 3.176 10.993 -5.332 1.00 0.00 C ATOM 608 NH1 ARG A 41 4.108 10.385 -4.586 1.00 0.00 N ATOM 609 NH2 ARG A 41 3.475 11.406 -6.571 1.00 0.00 N ATOM 0 H ARG A 41 2.637 11.663 0.751 1.00 0.00 H new ATOM 0 HA ARG A 41 2.766 13.873 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.840 11.537 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.624 12.818 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.970 12.254 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.944 10.844 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.671 9.696 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.450 10.953 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 41 1.260 11.652 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.881 10.070 -3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.045 10.238 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.765 11.868 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.412 11.258 -6.946 1.00 0.00 H new ATOM 623 N GLY A 42 0.883 13.601 1.453 1.00 0.00 N ATOM 624 CA GLY A 42 -0.039 14.302 2.331 1.00 0.00 C ATOM 625 C GLY A 42 -1.368 13.552 2.440 1.00 0.00 C ATOM 626 O GLY A 42 -2.334 14.072 2.997 1.00 0.00 O ATOM 0 H GLY A 42 1.275 12.744 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.405 14.408 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.215 15.308 1.951 1.00 0.00 H new ATOM 630 N LEU A 43 -1.375 12.342 1.901 1.00 0.00 N ATOM 631 CA LEU A 43 -2.569 11.516 1.931 1.00 0.00 C ATOM 632 C LEU A 43 -2.947 11.226 3.385 1.00 0.00 C ATOM 633 O LEU A 43 -2.128 11.393 4.288 1.00 0.00 O ATOM 634 CB LEU A 43 -2.372 10.257 1.084 1.00 0.00 C ATOM 635 CG LEU A 43 -2.615 10.415 -0.418 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.041 9.227 -1.194 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.100 10.629 -0.714 1.00 0.00 C ATOM 0 H LEU A 43 -0.572 11.914 1.441 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.409 12.045 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.353 9.900 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.039 9.482 1.460 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.088 11.307 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.227 9.364 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.967 9.163 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.519 8.307 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.245 10.738 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.670 9.771 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.446 11.530 -0.208 1.00 0.00 H new ATOM 649 N ASN A 44 -4.187 10.796 3.567 1.00 0.00 N ATOM 650 CA ASN A 44 -4.683 10.481 4.896 1.00 0.00 C ATOM 651 C ASN A 44 -4.937 8.976 4.997 1.00 0.00 C ATOM 652 O ASN A 44 -5.392 8.354 4.039 1.00 0.00 O ATOM 653 CB ASN A 44 -6.002 11.204 5.177 1.00 0.00 C ATOM 654 CG ASN A 44 -6.140 11.534 6.665 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.078 12.679 7.081 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.329 10.470 7.440 1.00 0.00 N ATOM 0 H ASN A 44 -4.863 10.658 2.816 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.935 10.802 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.050 12.122 4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.838 10.580 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.432 10.585 8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.371 9.539 7.026 1.00 0.00 H new ATOM 663 N GLN A 45 -4.632 8.434 6.167 1.00 0.00 N ATOM 664 CA GLN A 45 -4.821 7.013 6.406 1.00 0.00 C ATOM 665 C GLN A 45 -6.254 6.740 6.869 1.00 0.00 C ATOM 666 O GLN A 45 -6.470 5.994 7.823 1.00 0.00 O ATOM 667 CB GLN A 45 -3.807 6.488 7.424 1.00 0.00 C ATOM 668 CG GLN A 45 -3.378 5.059 7.083 1.00 0.00 C ATOM 669 CD GLN A 45 -1.870 4.984 6.835 1.00 0.00 C ATOM 670 OE1 GLN A 45 -1.408 4.594 5.775 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.131 5.378 7.868 1.00 0.00 N ATOM 0 H GLN A 45 -4.255 8.953 6.960 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.654 6.481 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.933 7.139 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.243 6.512 8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.650 4.389 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.913 4.716 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.582 5.693 8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.113 5.365 7.801 1.00 0.00 H new ATOM 680 N ASP A 46 -7.195 7.358 6.172 1.00 0.00 N ATOM 681 CA ASP A 46 -8.601 7.191 6.499 1.00 0.00 C ATOM 682 C ASP A 46 -9.427 7.214 5.211 1.00 0.00 C ATOM 683 O ASP A 46 -10.269 6.345 4.994 1.00 0.00 O ATOM 684 CB ASP A 46 -9.096 8.325 7.399 1.00 0.00 C ATOM 685 CG ASP A 46 -9.715 7.876 8.724 1.00 0.00 C ATOM 686 OD1 ASP A 46 -10.937 7.616 8.720 1.00 0.00 O ATOM 687 OD2 ASP A 46 -8.951 7.803 9.711 1.00 0.00 O ATOM 0 H ASP A 46 -7.012 7.976 5.381 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.715 6.241 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.259 8.990 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.835 8.909 6.850 1.00 0.00 H new ATOM 692 N CYS A 47 -9.156 8.219 4.391 1.00 0.00 N ATOM 693 CA CYS A 47 -9.864 8.367 3.131 1.00 0.00 C ATOM 694 C CYS A 47 -9.064 7.645 2.044 1.00 0.00 C ATOM 695 O CYS A 47 -9.292 7.861 0.854 1.00 0.00 O ATOM 696 CB CYS A 47 -10.099 9.838 2.784 1.00 0.00 C ATOM 697 SG CYS A 47 -11.427 10.525 3.839 1.00 0.00 S ATOM 0 H CYS A 47 -8.456 8.938 4.575 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.854 7.918 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.179 10.405 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.372 9.933 1.733 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.617 11.775 3.538 1.00 0.00 H new ATOM 703 N CYS A 48 -8.145 6.803 2.491 1.00 0.00 N ATOM 704 CA CYS A 48 -7.311 6.048 1.571 1.00 0.00 C ATOM 705 C CYS A 48 -7.447 4.562 1.908 1.00 0.00 C ATOM 706 O CYS A 48 -7.879 4.207 3.003 1.00 0.00 O ATOM 707 CB CYS A 48 -5.854 6.512 1.618 1.00 0.00 C ATOM 708 SG CYS A 48 -5.670 8.090 0.709 1.00 0.00 S ATOM 0 H CYS A 48 -7.959 6.626 3.478 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.646 6.220 0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.538 6.640 2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.207 5.752 1.179 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.460 9.056 1.554 1.00 0.00 H new ATOM 714 N VAL A 49 -7.071 3.733 0.945 1.00 0.00 N ATOM 715 CA VAL A 49 -7.146 2.293 1.125 1.00 0.00 C ATOM 716 C VAL A 49 -5.944 1.635 0.445 1.00 0.00 C ATOM 717 O VAL A 49 -5.359 2.204 -0.476 1.00 0.00 O ATOM 718 CB VAL A 49 -8.487 1.770 0.608 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.736 2.228 -0.831 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.561 0.246 0.719 1.00 0.00 C ATOM 0 H VAL A 49 -6.713 4.031 0.037 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.100 2.037 2.184 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.274 2.190 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.696 1.843 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.748 3.317 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.942 1.851 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.525 -0.100 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.761 -0.201 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.450 -0.049 1.763 1.00 0.00 H new ATOM 730 N VAL A 50 -5.612 0.445 0.923 1.00 0.00 N ATOM 731 CA VAL A 50 -4.491 -0.297 0.372 1.00 0.00 C ATOM 732 C VAL A 50 -4.967 -1.686 -0.059 1.00 0.00 C ATOM 733 O VAL A 50 -5.591 -2.402 0.721 1.00 0.00 O ATOM 734 CB VAL A 50 -3.346 -0.346 1.387 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.114 -1.030 0.791 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.004 1.056 1.894 1.00 0.00 C ATOM 0 H VAL A 50 -6.100 -0.024 1.686 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.101 0.203 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.678 -0.939 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.315 -1.052 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.368 -2.050 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.779 -0.477 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.188 0.994 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.701 1.682 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.879 1.492 2.375 1.00 0.00 H new ATOM 746 N TYR A 51 -4.653 -2.024 -1.302 1.00 0.00 N ATOM 747 CA TYR A 51 -5.041 -3.314 -1.846 1.00 0.00 C ATOM 748 C TYR A 51 -3.830 -4.240 -1.977 1.00 0.00 C ATOM 749 O TYR A 51 -2.738 -3.794 -2.324 1.00 0.00 O ATOM 750 CB TYR A 51 -5.604 -3.031 -3.241 1.00 0.00 C ATOM 751 CG TYR A 51 -6.454 -1.761 -3.322 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.372 -1.480 -2.331 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.301 -0.896 -4.387 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.171 -0.284 -2.408 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.101 0.299 -4.464 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.996 0.546 -3.471 1.00 0.00 C ATOM 757 OH TYR A 51 -8.751 1.675 -3.544 1.00 0.00 O ATOM 0 H TYR A 51 -4.135 -1.427 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.764 -3.804 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.777 -2.948 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.208 -3.881 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.491 -2.157 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.582 -1.115 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.893 -0.052 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.992 0.984 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.031 1.822 -4.472 1.00 0.00 H new ATOM 767 N ARG A 52 -4.065 -5.512 -1.692 1.00 0.00 N ATOM 768 CA ARG A 52 -3.008 -6.505 -1.773 1.00 0.00 C ATOM 769 C ARG A 52 -3.364 -7.577 -2.805 1.00 0.00 C ATOM 770 O ARG A 52 -4.517 -7.992 -2.902 1.00 0.00 O ATOM 771 CB ARG A 52 -2.773 -7.172 -0.416 1.00 0.00 C ATOM 772 CG ARG A 52 -2.814 -6.143 0.715 1.00 0.00 C ATOM 773 CD ARG A 52 -2.882 -6.830 2.080 1.00 0.00 C ATOM 774 NE ARG A 52 -4.250 -7.339 2.323 1.00 0.00 N ATOM 775 CZ ARG A 52 -4.541 -8.342 3.162 1.00 0.00 C ATOM 776 NH1 ARG A 52 -3.561 -8.951 3.843 1.00 0.00 N ATOM 777 NH2 ARG A 52 -5.812 -8.737 3.320 1.00 0.00 N ATOM 0 H ARG A 52 -4.973 -5.878 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.095 -5.993 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.532 -7.935 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.807 -7.678 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.929 -5.509 0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.679 -5.492 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.167 -7.652 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.602 -6.127 2.864 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.020 -6.898 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.594 -8.651 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.782 -9.715 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.558 -8.274 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.033 -9.501 3.959 1.00 0.00 H new ATOM 791 N LEU A 53 -2.351 -7.994 -3.551 1.00 0.00 N ATOM 792 CA LEU A 53 -2.543 -9.009 -4.573 1.00 0.00 C ATOM 793 C LEU A 53 -2.477 -10.395 -3.928 1.00 0.00 C ATOM 794 O LEU A 53 -1.392 -10.918 -3.682 1.00 0.00 O ATOM 795 CB LEU A 53 -1.544 -8.815 -5.715 1.00 0.00 C ATOM 796 CG LEU A 53 -2.025 -7.960 -6.889 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.603 -8.835 -8.004 1.00 0.00 C ATOM 798 CD2 LEU A 53 -3.020 -6.896 -6.421 1.00 0.00 C ATOM 0 H LEU A 53 -1.395 -7.647 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.531 -8.913 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.640 -8.362 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.264 -9.797 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.165 -7.435 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.938 -8.203 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.836 -9.521 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.448 -9.405 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.346 -6.302 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.883 -7.381 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.540 -6.246 -5.689 1.00 0.00 H new ATOM 810 N ILE A 54 -3.653 -10.949 -3.671 1.00 0.00 N ATOM 811 CA ILE A 54 -3.743 -12.264 -3.059 1.00 0.00 C ATOM 812 C ILE A 54 -4.046 -13.305 -4.139 1.00 0.00 C ATOM 813 O ILE A 54 -3.237 -14.198 -4.389 1.00 0.00 O ATOM 814 CB ILE A 54 -4.757 -12.253 -1.914 1.00 0.00 C ATOM 815 CG1 ILE A 54 -4.116 -11.751 -0.618 1.00 0.00 C ATOM 816 CG2 ILE A 54 -5.401 -13.630 -1.738 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.082 -10.222 -0.581 1.00 0.00 C ATOM 0 H ILE A 54 -4.551 -10.511 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.790 -12.540 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.554 -11.555 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.676 -12.127 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.103 -12.143 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.118 -13.594 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.915 -13.911 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.629 -14.367 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.622 -9.891 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.501 -9.850 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.099 -9.834 -0.641 1.00 0.00 H new ATOM 829 N LYS A 55 -5.212 -13.155 -4.750 1.00 0.00 N ATOM 830 CA LYS A 55 -5.631 -14.071 -5.797 1.00 0.00 C ATOM 831 C LYS A 55 -5.941 -13.278 -7.068 1.00 0.00 C ATOM 832 O LYS A 55 -6.999 -13.454 -7.671 1.00 0.00 O ATOM 833 CB LYS A 55 -6.795 -14.940 -5.315 1.00 0.00 C ATOM 834 CG LYS A 55 -6.300 -16.058 -4.395 1.00 0.00 C ATOM 835 CD LYS A 55 -6.736 -17.429 -4.915 1.00 0.00 C ATOM 836 CE LYS A 55 -5.868 -18.541 -4.322 1.00 0.00 C ATOM 837 NZ LYS A 55 -5.571 -19.568 -5.346 1.00 0.00 N ATOM 0 H LYS A 55 -5.880 -12.413 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.826 -14.764 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.520 -14.322 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.311 -15.372 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.213 -16.021 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.691 -15.906 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.781 -17.603 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.666 -17.449 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.938 -18.120 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.381 -18.999 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.981 -20.315 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.461 -19.982 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.062 -19.130 -6.140 1.00 0.00 H new ATOM 851 N GLY A 56 -4.999 -12.423 -7.438 1.00 0.00 N ATOM 852 CA GLY A 56 -5.158 -11.603 -8.627 1.00 0.00 C ATOM 853 C GLY A 56 -6.306 -10.606 -8.455 1.00 0.00 C ATOM 854 O GLY A 56 -6.839 -10.093 -9.438 1.00 0.00 O ATOM 0 H GLY A 56 -4.123 -12.280 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.232 -11.065 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.351 -12.240 -9.490 1.00 0.00 H new ATOM 858 N ARG A 57 -6.652 -10.361 -7.200 1.00 0.00 N ATOM 859 CA ARG A 57 -7.726 -9.434 -6.887 1.00 0.00 C ATOM 860 C ARG A 57 -7.281 -8.452 -5.801 1.00 0.00 C ATOM 861 O ARG A 57 -6.639 -8.846 -4.828 1.00 0.00 O ATOM 862 CB ARG A 57 -8.975 -10.179 -6.410 1.00 0.00 C ATOM 863 CG ARG A 57 -9.849 -10.597 -7.594 1.00 0.00 C ATOM 864 CD ARG A 57 -10.609 -9.398 -8.165 1.00 0.00 C ATOM 865 NE ARG A 57 -12.027 -9.453 -7.748 1.00 0.00 N ATOM 866 CZ ARG A 57 -13.015 -8.780 -8.355 1.00 0.00 C ATOM 867 NH1 ARG A 57 -12.744 -7.999 -9.409 1.00 0.00 N ATOM 868 NH2 ARG A 57 -14.273 -8.890 -7.907 1.00 0.00 N ATOM 0 H ARG A 57 -6.207 -10.789 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.968 -8.888 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.682 -11.061 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.548 -9.541 -5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.227 -11.041 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.557 -11.363 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.155 -8.470 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.541 -9.398 -9.253 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.268 -10.039 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.786 -7.916 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.496 -7.487 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.478 -9.485 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.025 -8.378 -8.368 1.00 0.00 H new ATOM 882 N LYS A 58 -7.639 -7.193 -6.004 1.00 0.00 N ATOM 883 CA LYS A 58 -7.284 -6.152 -5.054 1.00 0.00 C ATOM 884 C LYS A 58 -7.904 -6.475 -3.694 1.00 0.00 C ATOM 885 O LYS A 58 -9.080 -6.196 -3.462 1.00 0.00 O ATOM 886 CB LYS A 58 -7.675 -4.776 -5.597 1.00 0.00 C ATOM 887 CG LYS A 58 -6.626 -4.257 -6.583 1.00 0.00 C ATOM 888 CD LYS A 58 -7.275 -3.831 -7.901 1.00 0.00 C ATOM 889 CE LYS A 58 -6.260 -3.142 -8.815 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.192 -3.829 -10.125 1.00 0.00 N ATOM 0 H LYS A 58 -8.171 -6.870 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.204 -6.118 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.644 -4.838 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.783 -4.073 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.097 -3.411 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.885 -5.033 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.690 -4.704 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.106 -3.155 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.541 -2.099 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.277 -3.145 -8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.499 -3.349 -10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.903 -4.818 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.127 -3.804 -10.579 1.00 0.00 H new ATOM 904 N THR A 59 -7.087 -7.060 -2.830 1.00 0.00 N ATOM 905 CA THR A 59 -7.541 -7.424 -1.499 1.00 0.00 C ATOM 906 C THR A 59 -7.184 -6.327 -0.495 1.00 0.00 C ATOM 907 O THR A 59 -6.049 -6.254 -0.027 1.00 0.00 O ATOM 908 CB THR A 59 -6.939 -8.787 -1.151 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.720 -9.714 -1.900 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.188 -9.182 0.306 1.00 0.00 C ATOM 0 H THR A 59 -6.113 -7.291 -3.026 1.00 0.00 H new ATOM 0 HA THR A 59 -8.627 -7.513 -1.462 1.00 0.00 H new ATOM 0 HB THR A 59 -5.866 -8.770 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.542 -9.594 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.740 -10.157 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.740 -8.439 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.261 -9.232 0.491 1.00 0.00 H new ATOM 918 N VAL A 60 -8.174 -5.500 -0.193 1.00 0.00 N ATOM 919 CA VAL A 60 -7.978 -4.410 0.747 1.00 0.00 C ATOM 920 C VAL A 60 -7.289 -4.944 2.004 1.00 0.00 C ATOM 921 O VAL A 60 -7.409 -6.124 2.329 1.00 0.00 O ATOM 922 CB VAL A 60 -9.316 -3.727 1.043 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.168 -2.695 2.163 1.00 0.00 C ATOM 924 CG2 VAL A 60 -9.896 -3.087 -0.219 1.00 0.00 C ATOM 0 H VAL A 60 -9.114 -5.563 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.327 -3.648 0.318 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.015 -4.492 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.132 -2.224 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.820 -3.190 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.446 -1.935 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.846 -2.609 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.200 -2.340 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.056 -3.855 -0.976 1.00 0.00 H new ATOM 934 N THR A 61 -6.581 -4.049 2.678 1.00 0.00 N ATOM 935 CA THR A 61 -5.872 -4.415 3.892 1.00 0.00 C ATOM 936 C THR A 61 -6.261 -3.481 5.039 1.00 0.00 C ATOM 937 O THR A 61 -6.710 -2.360 4.807 1.00 0.00 O ATOM 938 CB THR A 61 -4.373 -4.408 3.585 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.826 -5.353 4.501 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.703 -3.087 3.968 1.00 0.00 C ATOM 0 H THR A 61 -6.483 -3.071 2.406 1.00 0.00 H new ATOM 0 HA THR A 61 -6.146 -5.417 4.223 1.00 0.00 H new ATOM 0 HB THR A 61 -4.220 -4.598 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.897 -5.115 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.641 -3.135 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.163 -2.271 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.827 -2.912 5.037 1.00 0.00 H new ATOM 948 N ALA A 62 -6.075 -3.978 6.253 1.00 0.00 N ATOM 949 CA ALA A 62 -6.401 -3.202 7.438 1.00 0.00 C ATOM 950 C ALA A 62 -5.222 -2.293 7.787 1.00 0.00 C ATOM 951 O ALA A 62 -4.074 -2.613 7.482 1.00 0.00 O ATOM 952 CB ALA A 62 -6.767 -4.148 8.583 1.00 0.00 C ATOM 0 H ALA A 62 -5.703 -4.909 6.442 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.265 -2.564 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.011 -3.566 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.628 -4.751 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.922 -4.802 8.799 1.00 0.00 H new ATOM 958 N TRP A 63 -5.545 -1.176 8.422 1.00 0.00 N ATOM 959 CA TRP A 63 -4.527 -0.217 8.816 1.00 0.00 C ATOM 960 C TRP A 63 -3.845 -0.745 10.080 1.00 0.00 C ATOM 961 O TRP A 63 -2.688 -0.422 10.347 1.00 0.00 O ATOM 962 CB TRP A 63 -5.128 1.178 8.999 1.00 0.00 C ATOM 963 CG TRP A 63 -5.534 1.857 7.689 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.754 2.266 7.316 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.663 2.192 6.589 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.733 2.837 6.060 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.421 2.791 5.604 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.279 1.996 6.431 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.885 3.243 4.392 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.759 2.452 5.214 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.509 3.057 4.212 1.00 0.00 C ATOM 0 H TRP A 63 -6.498 -0.914 8.674 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.776 -0.109 8.034 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.003 1.104 9.644 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.405 1.809 9.515 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.642 2.162 7.922 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.533 3.222 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.666 1.531 7.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.500 3.710 3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.701 2.325 5.041 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.032 3.382 3.299 1.00 0.00 H new ATOM 982 N ASP A 64 -4.591 -1.547 10.826 1.00 0.00 N ATOM 983 CA ASP A 64 -4.073 -2.122 12.055 1.00 0.00 C ATOM 984 C ASP A 64 -3.457 -3.490 11.754 1.00 0.00 C ATOM 985 O ASP A 64 -3.539 -4.406 12.571 1.00 0.00 O ATOM 986 CB ASP A 64 -5.189 -2.323 13.082 1.00 0.00 C ATOM 987 CG ASP A 64 -4.780 -2.083 14.537 1.00 0.00 C ATOM 988 OD1 ASP A 64 -3.756 -1.393 14.732 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.500 -2.595 15.421 1.00 0.00 O ATOM 0 H ASP A 64 -5.550 -1.812 10.602 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.329 -1.436 12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.013 -1.653 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.568 -3.341 12.990 1.00 0.00 H new ATOM 994 N THR A 65 -2.853 -3.585 10.578 1.00 0.00 N ATOM 995 CA THR A 65 -2.223 -4.825 10.158 1.00 0.00 C ATOM 996 C THR A 65 -0.702 -4.715 10.270 1.00 0.00 C ATOM 997 O THR A 65 -0.163 -3.618 10.405 1.00 0.00 O ATOM 998 CB THR A 65 -2.707 -5.146 8.743 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.123 -5.242 8.873 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.279 -6.540 8.279 1.00 0.00 C ATOM 0 H THR A 65 -2.787 -2.823 9.903 1.00 0.00 H new ATOM 0 HA THR A 65 -2.506 -5.652 10.809 1.00 0.00 H new ATOM 0 HB THR A 65 -2.321 -4.399 8.050 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.434 -6.073 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.648 -6.717 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.191 -6.607 8.284 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.692 -7.291 8.953 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.051 -5.868 10.211 1.00 0.00 N ATOM 1009 CA ALA A 66 1.398 -5.915 10.304 1.00 0.00 C ATOM 1010 C ALA A 66 1.998 -5.821 8.900 1.00 0.00 C ATOM 1011 O ALA A 66 1.312 -6.068 7.909 1.00 0.00 O ATOM 1012 CB ALA A 66 1.822 -7.191 11.035 1.00 0.00 C ATOM 0 H ALA A 66 -0.501 -6.777 10.100 1.00 0.00 H new ATOM 0 HA ALA A 66 1.773 -5.069 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.909 -7.226 11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.394 -7.195 12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.465 -8.061 10.484 1.00 0.00 H new ATOM 1018 N ILE A 67 3.274 -5.463 8.858 1.00 0.00 N ATOM 1019 CA ILE A 67 3.974 -5.334 7.592 1.00 0.00 C ATOM 1020 C ILE A 67 5.006 -6.457 7.467 1.00 0.00 C ATOM 1021 O ILE A 67 5.929 -6.369 6.659 1.00 0.00 O ATOM 1022 CB ILE A 67 4.571 -3.932 7.450 1.00 0.00 C ATOM 1023 CG1 ILE A 67 5.032 -3.675 6.015 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.696 -3.711 8.463 1.00 0.00 C ATOM 1025 CD1 ILE A 67 4.025 -2.801 5.263 1.00 0.00 C ATOM 0 H ILE A 67 3.841 -5.258 9.681 1.00 0.00 H new ATOM 0 HA ILE A 67 3.279 -5.445 6.760 1.00 0.00 H new ATOM 0 HB ILE A 67 3.791 -3.204 7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.007 -3.187 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.156 -4.624 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.103 -2.707 8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.303 -3.823 9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.484 -4.445 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.377 -2.634 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.058 -3.303 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.922 -1.843 5.773 1.00 0.00 H new ATOM 1037 N ALA A 68 4.814 -7.486 8.280 1.00 0.00 N ATOM 1038 CA ALA A 68 5.717 -8.624 8.271 1.00 0.00 C ATOM 1039 C ALA A 68 5.366 -9.538 7.095 1.00 0.00 C ATOM 1040 O ALA A 68 6.214 -9.826 6.253 1.00 0.00 O ATOM 1041 CB ALA A 68 5.639 -9.349 9.616 1.00 0.00 C ATOM 0 H ALA A 68 4.047 -7.555 8.949 1.00 0.00 H new ATOM 0 HA ALA A 68 6.748 -8.295 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.317 -10.203 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.925 -8.665 10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.619 -9.696 9.784 1.00 0.00 H new ATOM 1047 N PRO A 69 4.080 -9.981 7.075 1.00 0.00 N ATOM 1048 CA PRO A 69 3.606 -10.856 6.017 1.00 0.00 C ATOM 1049 C PRO A 69 3.395 -10.080 4.716 1.00 0.00 C ATOM 1050 O PRO A 69 2.337 -10.175 4.096 1.00 0.00 O ATOM 1051 CB PRO A 69 2.324 -11.469 6.557 1.00 0.00 C ATOM 1052 CG PRO A 69 1.881 -10.569 7.699 1.00 0.00 C ATOM 1053 CD PRO A 69 3.047 -9.661 8.056 1.00 0.00 C ATOM 0 HA PRO A 69 4.326 -11.633 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.559 -11.522 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.495 -12.487 6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.013 -9.978 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.583 -11.165 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.762 -8.610 8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.395 -9.845 9.072 1.00 0.00 H new ATOM 1061 N LEU A 70 4.419 -9.328 4.340 1.00 0.00 N ATOM 1062 CA LEU A 70 4.359 -8.535 3.124 1.00 0.00 C ATOM 1063 C LEU A 70 5.503 -8.947 2.195 1.00 0.00 C ATOM 1064 O LEU A 70 5.315 -9.057 0.984 1.00 0.00 O ATOM 1065 CB LEU A 70 4.347 -7.042 3.458 1.00 0.00 C ATOM 1066 CG LEU A 70 3.058 -6.506 4.085 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.960 -6.346 3.031 1.00 0.00 C ATOM 1068 CD2 LEU A 70 2.608 -7.387 5.252 1.00 0.00 C ATOM 0 H LEU A 70 5.295 -9.251 4.856 1.00 0.00 H new ATOM 0 HA LEU A 70 3.428 -8.727 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.172 -6.836 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.542 -6.483 2.543 1.00 0.00 H new ATOM 0 HG LEU A 70 3.262 -5.515 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.055 -5.964 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.292 -5.647 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.750 -7.313 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.690 -6.984 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.427 -8.401 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.386 -7.405 6.015 1.00 0.00 H new ATOM 1080 N ASP A 71 6.663 -9.164 2.797 1.00 0.00 N ATOM 1081 CA ASP A 71 7.837 -9.562 2.038 1.00 0.00 C ATOM 1082 C ASP A 71 7.415 -10.511 0.915 1.00 0.00 C ATOM 1083 O ASP A 71 7.196 -11.699 1.150 1.00 0.00 O ATOM 1084 CB ASP A 71 8.843 -10.297 2.925 1.00 0.00 C ATOM 1085 CG ASP A 71 10.160 -10.666 2.241 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.086 -11.156 1.093 1.00 0.00 O ATOM 1087 OD2 ASP A 71 11.212 -10.450 2.880 1.00 0.00 O ATOM 0 H ASP A 71 6.815 -9.072 3.801 1.00 0.00 H new ATOM 0 HA ASP A 71 8.301 -8.661 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.063 -9.674 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.377 -11.209 3.298 1.00 0.00 H new ATOM 1092 N GLY A 72 7.313 -9.952 -0.282 1.00 0.00 N ATOM 1093 CA GLY A 72 6.921 -10.734 -1.443 1.00 0.00 C ATOM 1094 C GLY A 72 5.460 -10.471 -1.814 1.00 0.00 C ATOM 1095 O GLY A 72 4.643 -11.390 -1.823 1.00 0.00 O ATOM 0 H GLY A 72 7.495 -8.967 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.564 -10.486 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.062 -11.795 -1.236 1.00 0.00 H new ATOM 1099 N GLU A 73 5.176 -9.211 -2.110 1.00 0.00 N ATOM 1100 CA GLU A 73 3.828 -8.815 -2.480 1.00 0.00 C ATOM 1101 C GLU A 73 3.820 -7.372 -2.989 1.00 0.00 C ATOM 1102 O GLU A 73 4.871 -6.740 -3.092 1.00 0.00 O ATOM 1103 CB GLU A 73 2.864 -8.987 -1.305 1.00 0.00 C ATOM 1104 CG GLU A 73 2.872 -7.751 -0.403 1.00 0.00 C ATOM 1105 CD GLU A 73 1.728 -7.805 0.611 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.657 -8.823 1.333 1.00 0.00 O ATOM 1107 OE2 GLU A 73 0.950 -6.827 0.642 1.00 0.00 O ATOM 0 H GLU A 73 5.857 -8.451 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 73 3.487 -9.466 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.855 -9.161 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.145 -9.866 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.825 -7.686 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.781 -6.851 -1.012 1.00 0.00 H new ATOM 1114 N GLU A 74 2.623 -6.893 -3.295 1.00 0.00 N ATOM 1115 CA GLU A 74 2.464 -5.536 -3.791 1.00 0.00 C ATOM 1116 C GLU A 74 1.209 -4.897 -3.195 1.00 0.00 C ATOM 1117 O GLU A 74 0.137 -5.501 -3.201 1.00 0.00 O ATOM 1118 CB GLU A 74 2.418 -5.513 -5.320 1.00 0.00 C ATOM 1119 CG GLU A 74 3.816 -5.310 -5.908 1.00 0.00 C ATOM 1120 CD GLU A 74 4.494 -4.081 -5.299 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.284 -2.983 -5.857 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.206 -4.268 -4.289 1.00 0.00 O ATOM 0 H GLU A 74 1.754 -7.420 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 74 3.329 -4.952 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.997 -6.448 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.759 -4.712 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.425 -6.195 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.746 -5.193 -6.989 1.00 0.00 H new ATOM 1129 N LEU A 75 1.383 -3.683 -2.693 1.00 0.00 N ATOM 1130 CA LEU A 75 0.277 -2.955 -2.094 1.00 0.00 C ATOM 1131 C LEU A 75 -0.097 -1.774 -2.993 1.00 0.00 C ATOM 1132 O LEU A 75 0.778 -1.077 -3.504 1.00 0.00 O ATOM 1133 CB LEU A 75 0.617 -2.551 -0.658 1.00 0.00 C ATOM 1134 CG LEU A 75 0.788 -3.699 0.339 1.00 0.00 C ATOM 1135 CD1 LEU A 75 2.118 -3.583 1.086 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.402 -3.776 1.297 1.00 0.00 C ATOM 0 H LEU A 75 2.273 -3.185 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.604 -3.593 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.539 -1.969 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.170 -1.892 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 75 0.813 -4.635 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.214 -4.411 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.941 -3.615 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.148 -2.640 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.255 -4.600 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.484 -2.841 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.317 -3.941 0.728 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.398 -1.587 -3.158 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.899 -0.503 -3.986 1.00 0.00 C ATOM 1150 C ILE A 76 -2.678 0.482 -3.112 1.00 0.00 C ATOM 1151 O ILE A 76 -3.771 0.169 -2.641 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.707 -1.056 -5.161 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.796 -1.755 -6.172 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.550 0.043 -5.812 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.616 -2.556 -7.186 1.00 0.00 C ATOM 0 H ILE A 76 -2.121 -2.168 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.072 0.051 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.398 -1.807 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.189 -1.014 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.108 -2.419 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.115 -0.377 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.241 0.456 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.896 0.834 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.945 -3.043 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.203 -3.311 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.285 -1.885 -7.724 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.087 1.652 -2.923 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.712 2.685 -2.114 1.00 0.00 C ATOM 1169 C VAL A 77 -3.552 3.593 -3.015 1.00 0.00 C ATOM 1170 O VAL A 77 -3.016 4.286 -3.877 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.647 3.448 -1.324 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.277 4.572 -0.499 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.841 2.499 -0.434 1.00 0.00 C ATOM 0 H VAL A 77 -1.181 1.908 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.385 2.241 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.960 3.902 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.498 5.099 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.786 5.270 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.996 4.149 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.091 3.066 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.510 2.004 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.347 1.750 -1.054 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.856 3.559 -2.784 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.776 4.370 -3.563 1.00 0.00 C ATOM 1185 C GLU A 78 -6.779 5.068 -2.643 1.00 0.00 C ATOM 1186 O GLU A 78 -7.178 4.514 -1.619 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.495 3.525 -4.617 1.00 0.00 C ATOM 1188 CG GLU A 78 -5.559 3.183 -5.778 1.00 0.00 C ATOM 1189 CD GLU A 78 -6.332 3.080 -7.094 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.562 2.873 -7.014 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -5.676 3.212 -8.149 1.00 0.00 O ATOM 0 H GLU A 78 -5.298 2.982 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.201 5.134 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.865 2.607 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.363 4.067 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.787 3.948 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.052 2.240 -5.575 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.159 6.274 -3.040 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.108 7.053 -2.264 1.00 0.00 C ATOM 1200 C VAL A 79 -9.480 6.379 -2.317 1.00 0.00 C ATOM 1201 O VAL A 79 -9.920 5.942 -3.379 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.132 8.499 -2.765 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.263 9.289 -2.105 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.781 9.181 -2.538 1.00 0.00 C ATOM 0 H VAL A 79 -6.826 6.730 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.805 7.091 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.320 8.478 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.258 10.313 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.219 8.822 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.119 9.296 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.826 10.207 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.550 9.184 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.004 8.638 -3.076 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.118 6.315 -1.158 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.431 5.701 -1.059 1.00 0.00 C ATOM 1216 C LEU A 80 -12.370 6.349 -2.078 1.00 0.00 C ATOM 1217 O LEU A 80 -12.890 7.438 -1.844 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.946 5.767 0.380 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.412 4.695 1.333 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.887 4.950 2.765 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -11.785 3.293 0.847 1.00 0.00 C ATOM 0 H LEU A 80 -9.750 6.678 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.375 4.641 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.697 6.746 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.034 5.698 0.359 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.324 4.754 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.494 4.174 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.530 5.924 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.976 4.933 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.393 2.551 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.870 3.203 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.358 3.125 -0.142 1.00 0.00 H new ATOM 1233 N SER A 81 -12.558 5.651 -3.189 1.00 0.00 N ATOM 1234 CA SER A 81 -13.426 6.144 -4.245 1.00 0.00 C ATOM 1235 C SER A 81 -13.958 4.974 -5.075 1.00 0.00 C ATOM 1236 O SER A 81 -13.491 3.845 -4.933 1.00 0.00 O ATOM 1237 CB SER A 81 -12.688 7.140 -5.143 1.00 0.00 C ATOM 1238 OG SER A 81 -11.903 6.484 -6.135 1.00 0.00 O ATOM 0 H SER A 81 -12.124 4.748 -3.381 1.00 0.00 H new ATOM 0 HA SER A 81 -14.265 6.664 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.411 7.796 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.045 7.772 -4.531 1.00 0.00 H new ATOM 0 HG SER A 81 -11.449 7.153 -6.689 1.00 0.00 H new ATOM 1244 N GLY A 82 -14.928 5.284 -5.922 1.00 0.00 N ATOM 1245 CA GLY A 82 -15.529 4.273 -6.775 1.00 0.00 C ATOM 1246 C GLY A 82 -15.413 4.660 -8.250 1.00 0.00 C ATOM 1247 O GLY A 82 -14.583 4.115 -8.975 1.00 0.00 O ATOM 0 H GLY A 82 -15.313 6.222 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.040 3.313 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.579 4.146 -6.510 1.00 0.00 H new ATOM 1251 N PRO A 83 -16.282 5.623 -8.661 1.00 0.00 N ATOM 1252 CA PRO A 83 -16.285 6.089 -10.037 1.00 0.00 C ATOM 1253 C PRO A 83 -15.089 7.003 -10.309 1.00 0.00 C ATOM 1254 O PRO A 83 -14.756 7.857 -9.489 1.00 0.00 O ATOM 1255 CB PRO A 83 -17.621 6.792 -10.211 1.00 0.00 C ATOM 1256 CG PRO A 83 -18.116 7.100 -8.807 1.00 0.00 C ATOM 1257 CD PRO A 83 -17.279 6.290 -7.830 1.00 0.00 C ATOM 0 HA PRO A 83 -16.180 5.277 -10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.508 7.706 -10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -18.329 6.158 -10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.025 8.165 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.171 6.844 -8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.808 6.932 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.890 5.568 -7.289 1.00 0.00 H new ATOM 1265 N SER A 84 -14.475 6.793 -11.465 1.00 0.00 N ATOM 1266 CA SER A 84 -13.322 7.588 -11.855 1.00 0.00 C ATOM 1267 C SER A 84 -13.579 9.065 -11.553 1.00 0.00 C ATOM 1268 O SER A 84 -12.834 9.687 -10.797 1.00 0.00 O ATOM 1269 CB SER A 84 -12.999 7.397 -13.338 1.00 0.00 C ATOM 1270 OG SER A 84 -11.629 7.663 -13.624 1.00 0.00 O ATOM 0 H SER A 84 -14.754 6.084 -12.144 1.00 0.00 H new ATOM 0 HA SER A 84 -12.462 7.251 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.239 6.375 -13.633 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.629 8.057 -13.934 1.00 0.00 H new ATOM 0 HG SER A 84 -11.462 7.528 -14.580 1.00 0.00 H new ATOM 1276 N SER A 85 -14.636 9.586 -12.160 1.00 0.00 N ATOM 1277 CA SER A 85 -15.000 10.979 -11.965 1.00 0.00 C ATOM 1278 C SER A 85 -13.765 11.868 -12.115 1.00 0.00 C ATOM 1279 O SER A 85 -13.183 12.301 -11.122 1.00 0.00 O ATOM 1280 CB SER A 85 -15.646 11.193 -10.594 1.00 0.00 C ATOM 1281 OG SER A 85 -17.044 11.445 -10.696 1.00 0.00 O ATOM 0 H SER A 85 -15.252 9.068 -12.787 1.00 0.00 H new ATOM 0 HA SER A 85 -15.730 11.252 -12.727 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.481 10.312 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.162 12.031 -10.092 1.00 0.00 H new ATOM 0 HG SER A 85 -17.419 11.574 -9.800 1.00 0.00 H new ATOM 1287 N GLY A 86 -13.401 12.115 -13.365 1.00 0.00 N ATOM 1288 CA GLY A 86 -12.245 12.945 -13.658 1.00 0.00 C ATOM 1289 C GLY A 86 -11.630 12.572 -15.008 1.00 0.00 C ATOM 1290 O GLY A 86 -10.832 11.640 -15.094 1.00 0.00 O ATOM 0 H GLY A 86 -13.886 11.755 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.539 13.995 -13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.500 12.829 -12.871 1.00 0.00 H new TER 1294 GLY A 86