USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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 67 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.0028) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.021,f=-0.0028) USER MOD Set 2.1: A 33 THR OG1 : rot -64:sc= 1.15 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0.995 USER MOD Set 3.1: A 28 THR OG1 : rot -137:sc= 0.815 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0.275 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.182 (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 8 LYS NZ :NH3+ 180:sc= -0.101 (180deg=-0.101) USER MOD Single : A 9 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.0061) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 25 THR OG1 : rot -46:sc= 0.191 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 150:sc= -0.0253 USER MOD Single : A 55 SER OG : rot 78:sc= 1.09 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.416 USER MOD Single : A 88 MET CE :methyl -141:sc= 0 (180deg=-0.0303) USER MOD Single : A 93 ASN : amide:sc= 0.467 K(o=0.47,f=-11!) USER MOD Single : A 95 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.16) USER MOD Single : A 98 SER OG : rot 74:sc= 1.8 USER MOD Single : A 101 SER OG : rot 78:sc= 1.76 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 70:sc= 1.28 USER MOD Single : A 109 THR OG1 : rot -144:sc= 1.76 USER MOD Single : A 110 GLN : amide:sc= 1.04 K(o=1,f=-0.024) USER MOD Single : A 112 SER OG : rot -11:sc= 0.365 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.837 -6.551 25.892 1.00 0.00 N ATOM 2 CA GLY A 1 22.301 -5.997 24.610 1.00 0.00 C ATOM 3 C GLY A 1 21.724 -4.607 24.416 1.00 0.00 C ATOM 4 O GLY A 1 20.968 -4.139 25.266 1.00 0.00 O ATOM 0 H1 GLY A 1 22.634 -6.599 26.558 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.093 -5.940 26.286 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.455 -7.506 25.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.390 -5.955 24.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.995 -6.646 23.790 1.00 0.00 H new ATOM 8 N SER A 2 22.050 -3.971 23.296 1.00 0.00 N ATOM 9 CA SER A 2 21.462 -2.707 22.875 1.00 0.00 C ATOM 10 C SER A 2 20.925 -2.963 21.471 1.00 0.00 C ATOM 11 O SER A 2 21.494 -2.533 20.471 1.00 0.00 O ATOM 12 CB SER A 2 22.494 -1.578 22.964 1.00 0.00 C ATOM 13 OG SER A 2 23.079 -1.555 24.257 1.00 0.00 O ATOM 0 H SER A 2 22.746 -4.329 22.642 1.00 0.00 H new ATOM 0 HA SER A 2 20.649 -2.372 23.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.267 -1.721 22.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.017 -0.621 22.755 1.00 0.00 H new ATOM 0 HG SER A 2 23.739 -0.832 24.305 1.00 0.00 H new ATOM 19 N SER A 3 19.900 -3.807 21.423 1.00 0.00 N ATOM 20 CA SER A 3 19.421 -4.495 20.244 1.00 0.00 C ATOM 21 C SER A 3 17.906 -4.592 20.412 1.00 0.00 C ATOM 22 O SER A 3 17.384 -5.583 20.926 1.00 0.00 O ATOM 23 CB SER A 3 20.152 -5.847 20.126 1.00 0.00 C ATOM 24 OG SER A 3 20.502 -6.436 21.380 1.00 0.00 O ATOM 0 H SER A 3 19.356 -4.038 22.254 1.00 0.00 H new ATOM 0 HA SER A 3 19.627 -3.981 19.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.519 -6.542 19.575 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.059 -5.707 19.538 1.00 0.00 H new ATOM 0 HG SER A 3 20.959 -7.289 21.225 1.00 0.00 H new ATOM 30 N GLY A 4 17.221 -3.490 20.102 1.00 0.00 N ATOM 31 CA GLY A 4 15.840 -3.261 20.495 1.00 0.00 C ATOM 32 C GLY A 4 14.881 -4.267 19.873 1.00 0.00 C ATOM 33 O GLY A 4 13.995 -4.766 20.570 1.00 0.00 O ATOM 0 H GLY A 4 17.621 -2.723 19.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.762 -3.313 21.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.545 -2.254 20.202 1.00 0.00 H new ATOM 37 N SER A 5 15.036 -4.538 18.576 1.00 0.00 N ATOM 38 CA SER A 5 14.261 -5.516 17.821 1.00 0.00 C ATOM 39 C SER A 5 14.736 -5.550 16.366 1.00 0.00 C ATOM 40 O SER A 5 15.238 -4.551 15.851 1.00 0.00 O ATOM 41 CB SER A 5 12.761 -5.177 17.874 1.00 0.00 C ATOM 42 OG SER A 5 12.492 -3.780 17.849 1.00 0.00 O ATOM 0 H SER A 5 15.733 -4.062 18.003 1.00 0.00 H new ATOM 0 HA SER A 5 14.411 -6.497 18.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.260 -5.650 17.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.332 -5.605 18.780 1.00 0.00 H new ATOM 0 HG SER A 5 11.524 -3.633 17.883 1.00 0.00 H new ATOM 48 N SER A 6 14.531 -6.676 15.679 1.00 0.00 N ATOM 49 CA SER A 6 14.608 -6.739 14.225 1.00 0.00 C ATOM 50 C SER A 6 13.391 -6.071 13.586 1.00 0.00 C ATOM 51 O SER A 6 13.531 -5.391 12.566 1.00 0.00 O ATOM 52 CB SER A 6 14.692 -8.203 13.777 1.00 0.00 C ATOM 53 OG SER A 6 16.043 -8.617 13.816 1.00 0.00 O ATOM 0 H SER A 6 14.307 -7.568 16.119 1.00 0.00 H new ATOM 0 HA SER A 6 15.502 -6.205 13.902 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.086 -8.832 14.429 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.293 -8.312 12.768 1.00 0.00 H new ATOM 0 HG SER A 6 16.107 -9.553 13.533 1.00 0.00 H new ATOM 59 N GLY A 7 12.195 -6.256 14.158 1.00 0.00 N ATOM 60 CA GLY A 7 10.974 -5.870 13.466 1.00 0.00 C ATOM 61 C GLY A 7 10.829 -6.684 12.180 1.00 0.00 C ATOM 62 O GLY A 7 11.320 -7.814 12.109 1.00 0.00 O ATOM 0 H GLY A 7 12.054 -6.664 15.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.111 -6.036 14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.998 -4.805 13.233 1.00 0.00 H new ATOM 66 N LYS A 8 10.150 -6.135 11.172 1.00 0.00 N ATOM 67 CA LYS A 8 10.112 -6.704 9.828 1.00 0.00 C ATOM 68 C LYS A 8 10.404 -5.592 8.845 1.00 0.00 C ATOM 69 O LYS A 8 9.718 -4.571 8.882 1.00 0.00 O ATOM 70 CB LYS A 8 8.753 -7.364 9.544 1.00 0.00 C ATOM 71 CG LYS A 8 8.622 -7.886 8.096 1.00 0.00 C ATOM 72 CD LYS A 8 7.914 -6.934 7.117 1.00 0.00 C ATOM 73 CE LYS A 8 7.709 -7.653 5.776 1.00 0.00 C ATOM 74 NZ LYS A 8 7.083 -6.786 4.758 1.00 0.00 N ATOM 0 H LYS A 8 9.608 -5.277 11.268 1.00 0.00 H new ATOM 0 HA LYS A 8 10.862 -7.489 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.607 -8.193 10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.959 -6.643 9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.620 -8.100 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.079 -8.831 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.954 -6.620 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.509 -6.032 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.672 -8.005 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.086 -8.534 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.967 -7.319 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.152 -6.470 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.689 -5.958 4.587 1.00 0.00 H new ATOM 88 N ASN A 9 11.348 -5.827 7.941 1.00 0.00 N ATOM 89 CA ASN A 9 11.646 -4.972 6.808 1.00 0.00 C ATOM 90 C ASN A 9 12.035 -5.902 5.670 1.00 0.00 C ATOM 91 O ASN A 9 13.191 -6.308 5.566 1.00 0.00 O ATOM 92 CB ASN A 9 12.772 -3.988 7.153 1.00 0.00 C ATOM 93 CG ASN A 9 12.273 -2.887 8.074 1.00 0.00 C ATOM 94 OD1 ASN A 9 12.530 -2.899 9.276 1.00 0.00 O ATOM 95 ND2 ASN A 9 11.549 -1.922 7.540 1.00 0.00 N ATOM 0 H ASN A 9 11.947 -6.651 7.983 1.00 0.00 H new ATOM 0 HA ASN A 9 10.789 -4.360 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.593 -4.523 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.169 -3.549 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.192 -1.168 8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.347 -1.930 6.540 1.00 0.00 H new ATOM 102 N TYR A 10 11.063 -6.317 4.858 1.00 0.00 N ATOM 103 CA TYR A 10 11.363 -6.913 3.559 1.00 0.00 C ATOM 104 C TYR A 10 11.762 -5.767 2.613 1.00 0.00 C ATOM 105 O TYR A 10 11.411 -4.607 2.873 1.00 0.00 O ATOM 106 CB TYR A 10 10.154 -7.733 3.058 1.00 0.00 C ATOM 107 CG TYR A 10 10.161 -7.973 1.565 1.00 0.00 C ATOM 108 CD1 TYR A 10 11.022 -8.941 1.016 1.00 0.00 C ATOM 109 CD2 TYR A 10 9.464 -7.085 0.723 1.00 0.00 C ATOM 110 CE1 TYR A 10 11.242 -8.980 -0.370 1.00 0.00 C ATOM 111 CE2 TYR A 10 9.678 -7.120 -0.662 1.00 0.00 C ATOM 112 CZ TYR A 10 10.582 -8.055 -1.208 1.00 0.00 C ATOM 113 OH TYR A 10 10.748 -8.116 -2.551 1.00 0.00 O ATOM 0 H TYR A 10 10.069 -6.252 5.075 1.00 0.00 H new ATOM 0 HA TYR A 10 12.191 -7.620 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.140 -8.694 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.235 -7.213 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.514 -9.654 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.765 -6.377 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.912 -9.714 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.152 -6.433 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 10 10.222 -7.408 -2.978 1.00 0.00 H new ATOM 123 N ASP A 11 12.417 -6.098 1.498 1.00 0.00 N ATOM 124 CA ASP A 11 12.898 -5.178 0.467 1.00 0.00 C ATOM 125 C ASP A 11 14.114 -4.405 1.001 1.00 0.00 C ATOM 126 O ASP A 11 14.543 -4.624 2.138 1.00 0.00 O ATOM 127 CB ASP A 11 11.758 -4.266 -0.023 1.00 0.00 C ATOM 128 CG ASP A 11 11.947 -3.818 -1.462 1.00 0.00 C ATOM 129 OD1 ASP A 11 12.748 -2.882 -1.655 1.00 0.00 O ATOM 130 OD2 ASP A 11 11.297 -4.368 -2.376 1.00 0.00 O ATOM 0 H ASP A 11 12.638 -7.069 1.279 1.00 0.00 H new ATOM 0 HA ASP A 11 13.230 -5.735 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.810 -4.796 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.696 -3.389 0.622 1.00 0.00 H new ATOM 135 N LEU A 12 14.669 -3.485 0.214 1.00 0.00 N ATOM 136 CA LEU A 12 15.535 -2.402 0.674 1.00 0.00 C ATOM 137 C LEU A 12 14.705 -1.117 0.735 1.00 0.00 C ATOM 138 O LEU A 12 15.183 -0.009 0.490 1.00 0.00 O ATOM 139 CB LEU A 12 16.758 -2.287 -0.240 1.00 0.00 C ATOM 140 CG LEU A 12 17.686 -3.512 -0.169 1.00 0.00 C ATOM 141 CD1 LEU A 12 18.825 -3.345 -1.180 1.00 0.00 C ATOM 142 CD2 LEU A 12 18.302 -3.718 1.225 1.00 0.00 C ATOM 0 H LEU A 12 14.523 -3.473 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 12 15.921 -2.601 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.423 -2.152 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.323 -1.395 0.031 1.00 0.00 H new ATOM 0 HG LEU A 12 17.074 -4.385 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.484 -4.212 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.410 -3.260 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.392 -2.444 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.946 -4.597 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.890 -2.841 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.507 -3.862 1.956 1.00 0.00 H new ATOM 154 N SER A 13 13.427 -1.277 1.086 1.00 0.00 N ATOM 155 CA SER A 13 12.429 -0.235 1.175 1.00 0.00 C ATOM 156 C SER A 13 12.263 0.539 -0.145 1.00 0.00 C ATOM 157 O SER A 13 11.979 1.743 -0.123 1.00 0.00 O ATOM 158 CB SER A 13 12.737 0.625 2.409 1.00 0.00 C ATOM 159 OG SER A 13 12.693 -0.179 3.579 1.00 0.00 O ATOM 0 H SER A 13 13.050 -2.194 1.327 1.00 0.00 H new ATOM 0 HA SER A 13 11.439 -0.668 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.721 1.083 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.014 1.437 2.487 1.00 0.00 H new ATOM 0 HG SER A 13 12.892 0.374 4.363 1.00 0.00 H new ATOM 165 N ASP A 14 12.352 -0.147 -1.288 1.00 0.00 N ATOM 166 CA ASP A 14 12.150 0.425 -2.619 1.00 0.00 C ATOM 167 C ASP A 14 10.712 0.881 -2.828 1.00 0.00 C ATOM 168 O ASP A 14 10.483 1.859 -3.541 1.00 0.00 O ATOM 169 CB ASP A 14 12.470 -0.579 -3.739 1.00 0.00 C ATOM 170 CG ASP A 14 13.939 -0.971 -3.882 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.821 -0.306 -3.292 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.188 -1.904 -4.680 1.00 0.00 O ATOM 0 H ASP A 14 12.573 -1.143 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 14 12.832 1.274 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.887 -1.484 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.132 -0.158 -4.686 1.00 0.00 H new ATOM 177 N LEU A 15 9.759 0.154 -2.235 1.00 0.00 N ATOM 178 CA LEU A 15 8.318 0.335 -2.386 1.00 0.00 C ATOM 179 C LEU A 15 7.863 1.678 -1.787 1.00 0.00 C ATOM 180 O LEU A 15 8.456 2.155 -0.812 1.00 0.00 O ATOM 181 CB LEU A 15 7.580 -0.834 -1.693 1.00 0.00 C ATOM 182 CG LEU A 15 7.816 -2.222 -2.329 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.113 -3.314 -1.515 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.303 -2.291 -3.771 1.00 0.00 C ATOM 0 H LEU A 15 9.988 -0.615 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 15 8.076 0.343 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.890 -0.872 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.510 -0.624 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 15 8.894 -2.383 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.291 -4.284 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.506 -3.320 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.042 -3.115 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.491 -3.285 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.232 -2.089 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.821 -1.548 -4.377 1.00 0.00 H new ATOM 196 N PRO A 16 6.781 2.274 -2.314 1.00 0.00 N ATOM 197 CA PRO A 16 6.215 3.519 -1.813 1.00 0.00 C ATOM 198 C PRO A 16 5.636 3.342 -0.408 1.00 0.00 C ATOM 199 O PRO A 16 5.345 2.225 0.034 1.00 0.00 O ATOM 200 CB PRO A 16 5.135 3.932 -2.820 1.00 0.00 C ATOM 201 CG PRO A 16 4.835 2.675 -3.634 1.00 0.00 C ATOM 202 CD PRO A 16 6.055 1.789 -3.466 1.00 0.00 C ATOM 0 HA PRO A 16 6.979 4.291 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.241 4.293 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.485 4.741 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.935 2.178 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.666 2.917 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.759 0.750 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.681 1.823 -4.358 1.00 0.00 H new ATOM 210 N GLY A 17 5.475 4.454 0.304 1.00 0.00 N ATOM 211 CA GLY A 17 4.855 4.510 1.611 1.00 0.00 C ATOM 212 C GLY A 17 3.388 4.098 1.511 1.00 0.00 C ATOM 213 O GLY A 17 2.754 4.325 0.476 1.00 0.00 O ATOM 0 H GLY A 17 5.785 5.367 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.381 3.849 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.931 5.519 2.016 1.00 0.00 H new ATOM 217 N PRO A 18 2.806 3.552 2.584 1.00 0.00 N ATOM 218 CA PRO A 18 1.371 3.377 2.665 1.00 0.00 C ATOM 219 C PRO A 18 0.709 4.767 2.728 1.00 0.00 C ATOM 220 O PRO A 18 1.222 5.649 3.426 1.00 0.00 O ATOM 221 CB PRO A 18 1.139 2.554 3.929 1.00 0.00 C ATOM 222 CG PRO A 18 2.367 2.805 4.806 1.00 0.00 C ATOM 223 CD PRO A 18 3.470 3.192 3.822 1.00 0.00 C ATOM 0 HA PRO A 18 0.938 2.866 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.224 2.861 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.033 1.495 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.183 3.601 5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.637 1.915 5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.057 4.027 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.160 2.363 3.666 1.00 0.00 H new ATOM 231 N PRO A 19 -0.414 4.997 2.028 1.00 0.00 N ATOM 232 CA PRO A 19 -1.142 6.257 2.131 1.00 0.00 C ATOM 233 C PRO A 19 -1.714 6.452 3.539 1.00 0.00 C ATOM 234 O PRO A 19 -1.824 5.504 4.330 1.00 0.00 O ATOM 235 CB PRO A 19 -2.242 6.221 1.067 1.00 0.00 C ATOM 236 CG PRO A 19 -2.323 4.755 0.629 1.00 0.00 C ATOM 237 CD PRO A 19 -1.049 4.073 1.106 1.00 0.00 C ATOM 0 HA PRO A 19 -0.480 7.106 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.194 6.565 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.999 6.871 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.201 4.273 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.416 4.682 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.275 3.127 1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.391 3.847 0.267 1.00 0.00 H new ATOM 245 N SER A 20 -2.098 7.689 3.847 1.00 0.00 N ATOM 246 CA SER A 20 -2.758 8.013 5.100 1.00 0.00 C ATOM 247 C SER A 20 -4.215 7.522 5.085 1.00 0.00 C ATOM 248 O SER A 20 -4.791 7.267 4.024 1.00 0.00 O ATOM 249 CB SER A 20 -2.644 9.525 5.336 1.00 0.00 C ATOM 250 OG SER A 20 -1.276 9.893 5.428 1.00 0.00 O ATOM 0 H SER A 20 -1.958 8.491 3.232 1.00 0.00 H new ATOM 0 HA SER A 20 -2.273 7.501 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.122 10.067 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.167 9.800 6.252 1.00 0.00 H new ATOM 0 HG SER A 20 -1.206 10.859 5.577 1.00 0.00 H new ATOM 256 N LYS A 21 -4.818 7.381 6.270 1.00 0.00 N ATOM 257 CA LYS A 21 -6.186 6.905 6.464 1.00 0.00 C ATOM 258 C LYS A 21 -7.199 7.701 5.622 1.00 0.00 C ATOM 259 O LYS A 21 -7.303 8.912 5.839 1.00 0.00 O ATOM 260 CB LYS A 21 -6.505 7.016 7.961 1.00 0.00 C ATOM 261 CG LYS A 21 -7.821 6.331 8.346 1.00 0.00 C ATOM 262 CD LYS A 21 -8.986 7.309 8.524 1.00 0.00 C ATOM 263 CE LYS A 21 -10.070 6.649 9.376 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.637 7.555 10.393 1.00 0.00 N ATOM 0 H LYS A 21 -4.349 7.603 7.148 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.265 5.871 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.690 6.573 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.555 8.069 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.082 5.603 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.676 5.777 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.638 8.225 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.392 7.591 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.870 6.296 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.652 5.773 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.366 7.052 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.882 7.873 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.063 8.380 9.924 1.00 0.00 H new ATOM 278 N PRO A 22 -7.975 7.068 4.719 1.00 0.00 N ATOM 279 CA PRO A 22 -8.900 7.795 3.859 1.00 0.00 C ATOM 280 C PRO A 22 -10.092 8.392 4.609 1.00 0.00 C ATOM 281 O PRO A 22 -10.632 7.789 5.543 1.00 0.00 O ATOM 282 CB PRO A 22 -9.385 6.815 2.785 1.00 0.00 C ATOM 283 CG PRO A 22 -9.066 5.440 3.372 1.00 0.00 C ATOM 284 CD PRO A 22 -7.893 5.673 4.319 1.00 0.00 C ATOM 0 HA PRO A 22 -8.375 8.647 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.452 6.929 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.871 6.974 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.925 5.029 3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.805 4.728 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.953 5.014 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.944 5.463 3.825 1.00 0.00 H new ATOM 292 N GLN A 23 -10.559 9.548 4.141 1.00 0.00 N ATOM 293 CA GLN A 23 -11.674 10.305 4.704 1.00 0.00 C ATOM 294 C GLN A 23 -12.834 10.353 3.758 1.00 0.00 C ATOM 295 O GLN A 23 -12.717 10.747 2.598 1.00 0.00 O ATOM 296 CB GLN A 23 -11.270 11.729 5.088 1.00 0.00 C ATOM 297 CG GLN A 23 -10.113 11.617 6.074 1.00 0.00 C ATOM 298 CD GLN A 23 -10.147 12.570 7.269 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.787 13.612 7.266 1.00 0.00 O ATOM 300 NE2 GLN A 23 -9.491 12.207 8.359 1.00 0.00 N ATOM 0 H GLN A 23 -10.152 10.002 3.323 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.973 9.779 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.971 12.295 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.109 12.259 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.083 10.595 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.183 11.783 5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.956 11.339 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.521 12.795 9.192 1.00 0.00 H new ATOM 309 N VAL A 24 -13.966 9.921 4.286 1.00 0.00 N ATOM 310 CA VAL A 24 -15.201 9.799 3.602 1.00 0.00 C ATOM 311 C VAL A 24 -15.930 11.140 3.655 1.00 0.00 C ATOM 312 O VAL A 24 -16.016 11.801 4.698 1.00 0.00 O ATOM 313 CB VAL A 24 -15.933 8.590 4.197 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.005 7.429 4.584 1.00 0.00 C ATOM 315 CG2 VAL A 24 -16.936 8.866 5.318 1.00 0.00 C ATOM 0 H VAL A 24 -14.030 9.634 5.263 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.103 9.592 2.536 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.541 8.286 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.597 6.612 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.471 7.080 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.287 7.770 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.381 7.927 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.424 9.339 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.719 9.529 4.950 1.00 0.00 H new ATOM 325 N THR A 25 -16.433 11.555 2.505 1.00 0.00 N ATOM 326 CA THR A 25 -16.919 12.908 2.287 1.00 0.00 C ATOM 327 C THR A 25 -18.386 12.819 1.860 1.00 0.00 C ATOM 328 O THR A 25 -19.267 12.740 2.721 1.00 0.00 O ATOM 329 CB THR A 25 -15.951 13.659 1.345 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.673 12.908 0.184 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.588 13.960 1.985 1.00 0.00 C ATOM 0 H THR A 25 -16.517 10.954 1.685 1.00 0.00 H new ATOM 0 HA THR A 25 -16.922 13.521 3.188 1.00 0.00 H new ATOM 0 HB THR A 25 -16.470 14.590 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.473 11.982 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.958 14.488 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.731 14.581 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.106 13.025 2.271 1.00 0.00 H new ATOM 339 N ASP A 26 -18.659 12.740 0.560 1.00 0.00 N ATOM 340 CA ASP A 26 -19.972 12.397 0.049 1.00 0.00 C ATOM 341 C ASP A 26 -20.220 10.915 0.298 1.00 0.00 C ATOM 342 O ASP A 26 -19.315 10.105 0.102 1.00 0.00 O ATOM 343 CB ASP A 26 -20.046 12.665 -1.455 1.00 0.00 C ATOM 344 CG ASP A 26 -21.438 12.387 -2.016 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.428 12.882 -1.431 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.535 11.759 -3.094 1.00 0.00 O ATOM 0 H ASP A 26 -17.967 12.914 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.723 13.004 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.776 13.702 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.316 12.042 -1.971 1.00 0.00 H new ATOM 351 N VAL A 27 -21.441 10.547 0.663 1.00 0.00 N ATOM 352 CA VAL A 27 -21.959 9.191 0.603 1.00 0.00 C ATOM 353 C VAL A 27 -23.407 9.297 0.155 1.00 0.00 C ATOM 354 O VAL A 27 -24.152 10.142 0.649 1.00 0.00 O ATOM 355 CB VAL A 27 -21.785 8.453 1.946 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.433 9.153 3.144 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.334 7.020 1.856 1.00 0.00 C ATOM 0 H VAL A 27 -22.124 11.214 1.023 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.400 8.585 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.709 8.449 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.261 8.565 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.994 10.143 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.505 9.250 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.201 6.518 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.395 7.052 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.796 6.472 1.082 1.00 0.00 H new ATOM 367 N THR A 28 -23.813 8.433 -0.769 1.00 0.00 N ATOM 368 CA THR A 28 -25.128 8.597 -1.415 1.00 0.00 C ATOM 369 C THR A 28 -26.145 7.589 -0.917 1.00 0.00 C ATOM 370 O THR A 28 -27.232 7.972 -0.500 1.00 0.00 O ATOM 371 CB THR A 28 -25.009 8.571 -2.946 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.658 7.278 -3.422 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.988 9.589 -3.455 1.00 0.00 C ATOM 0 H THR A 28 -23.273 7.629 -1.088 1.00 0.00 H new ATOM 0 HA THR A 28 -25.499 9.581 -1.129 1.00 0.00 H new ATOM 0 HB THR A 28 -25.993 8.837 -3.333 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.982 7.361 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.934 9.538 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.292 10.591 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.009 9.364 -3.033 1.00 0.00 H new ATOM 381 N LYS A 29 -25.752 6.317 -0.985 1.00 0.00 N ATOM 382 CA LYS A 29 -26.389 5.044 -0.661 1.00 0.00 C ATOM 383 C LYS A 29 -25.638 3.929 -1.392 1.00 0.00 C ATOM 384 O LYS A 29 -25.617 2.800 -0.923 1.00 0.00 O ATOM 385 CB LYS A 29 -27.884 5.033 -1.015 1.00 0.00 C ATOM 386 CG LYS A 29 -28.156 5.071 -2.523 1.00 0.00 C ATOM 387 CD LYS A 29 -29.326 5.991 -2.853 1.00 0.00 C ATOM 388 CE LYS A 29 -29.698 5.834 -4.326 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.678 4.755 -4.563 1.00 0.00 N ATOM 0 H LYS A 29 -24.811 6.131 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.336 4.886 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.342 4.138 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.367 5.890 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.263 5.413 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.370 4.064 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.182 5.749 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.059 7.027 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -30.106 6.775 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.796 5.631 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.891 4.697 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.282 3.849 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.552 4.958 -4.037 1.00 0.00 H new ATOM 403 N ASN A 30 -24.980 4.223 -2.519 1.00 0.00 N ATOM 404 CA ASN A 30 -24.205 3.246 -3.279 1.00 0.00 C ATOM 405 C ASN A 30 -22.940 3.840 -3.884 1.00 0.00 C ATOM 406 O ASN A 30 -22.165 3.086 -4.468 1.00 0.00 O ATOM 407 CB ASN A 30 -25.034 2.502 -4.341 1.00 0.00 C ATOM 408 CG ASN A 30 -26.129 3.317 -4.989 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.980 4.494 -5.271 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.269 2.699 -5.212 1.00 0.00 N ATOM 0 H ASN A 30 -24.973 5.156 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 30 -23.896 2.501 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.360 2.144 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.483 1.623 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.050 3.205 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.371 1.714 -4.968 1.00 0.00 H new ATOM 417 N SER A 31 -22.653 5.126 -3.694 1.00 0.00 N ATOM 418 CA SER A 31 -21.307 5.639 -3.866 1.00 0.00 C ATOM 419 C SER A 31 -20.854 6.365 -2.599 1.00 0.00 C ATOM 420 O SER A 31 -21.682 6.729 -1.758 1.00 0.00 O ATOM 421 CB SER A 31 -21.204 6.486 -5.144 1.00 0.00 C ATOM 422 OG SER A 31 -22.373 7.219 -5.471 1.00 0.00 O ATOM 0 H SER A 31 -23.340 5.829 -3.420 1.00 0.00 H new ATOM 0 HA SER A 31 -20.612 4.811 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.374 7.184 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.959 5.829 -5.979 1.00 0.00 H new ATOM 0 HG SER A 31 -22.220 7.729 -6.294 1.00 0.00 H new ATOM 428 N VAL A 32 -19.538 6.530 -2.448 1.00 0.00 N ATOM 429 CA VAL A 32 -18.906 7.275 -1.370 1.00 0.00 C ATOM 430 C VAL A 32 -17.560 7.814 -1.875 1.00 0.00 C ATOM 431 O VAL A 32 -16.779 7.084 -2.487 1.00 0.00 O ATOM 432 CB VAL A 32 -18.821 6.420 -0.079 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.218 5.032 -0.223 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.071 7.124 1.043 1.00 0.00 C ATOM 0 H VAL A 32 -18.863 6.131 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.508 8.137 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.876 6.293 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.214 4.535 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.811 4.449 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.196 5.116 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.042 6.480 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.053 7.342 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.580 8.055 1.292 1.00 0.00 H new ATOM 444 N THR A 33 -17.313 9.102 -1.658 1.00 0.00 N ATOM 445 CA THR A 33 -16.125 9.845 -2.064 1.00 0.00 C ATOM 446 C THR A 33 -15.094 9.758 -0.932 1.00 0.00 C ATOM 447 O THR A 33 -15.392 10.103 0.215 1.00 0.00 O ATOM 448 CB THR A 33 -16.600 11.267 -2.411 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.498 11.138 -3.498 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.542 12.295 -2.820 1.00 0.00 C ATOM 0 H THR A 33 -17.980 9.693 -1.162 1.00 0.00 H new ATOM 0 HA THR A 33 -15.623 9.446 -2.945 1.00 0.00 H new ATOM 0 HB THR A 33 -17.018 11.660 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.020 10.786 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.025 13.248 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.827 12.425 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.020 11.945 -3.710 1.00 0.00 H new ATOM 458 N LEU A 34 -13.901 9.246 -1.245 1.00 0.00 N ATOM 459 CA LEU A 34 -12.764 9.066 -0.350 1.00 0.00 C ATOM 460 C LEU A 34 -11.690 10.039 -0.766 1.00 0.00 C ATOM 461 O LEU A 34 -11.284 10.029 -1.924 1.00 0.00 O ATOM 462 CB LEU A 34 -12.158 7.663 -0.467 1.00 0.00 C ATOM 463 CG LEU A 34 -13.076 6.531 -0.019 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.337 5.194 -0.090 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.525 6.738 1.416 1.00 0.00 C ATOM 0 H LEU A 34 -13.694 8.927 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.111 9.221 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.872 7.491 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.244 7.627 0.125 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.941 6.526 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.002 4.393 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.017 5.009 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.464 5.225 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.179 5.919 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.653 6.763 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.066 7.681 1.496 1.00 0.00 H new ATOM 477 N SER A 35 -11.219 10.829 0.184 1.00 0.00 N ATOM 478 CA SER A 35 -9.949 11.541 0.123 1.00 0.00 C ATOM 479 C SER A 35 -8.940 10.674 0.858 1.00 0.00 C ATOM 480 O SER A 35 -9.316 9.907 1.740 1.00 0.00 O ATOM 481 CB SER A 35 -10.128 12.944 0.742 1.00 0.00 C ATOM 482 OG SER A 35 -9.014 13.384 1.493 1.00 0.00 O ATOM 0 H SER A 35 -11.727 11.000 1.052 1.00 0.00 H new ATOM 0 HA SER A 35 -9.594 11.706 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.322 13.661 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.008 12.937 1.385 1.00 0.00 H new ATOM 0 HG SER A 35 -9.195 14.277 1.853 1.00 0.00 H new ATOM 488 N TRP A 36 -7.667 10.765 0.512 1.00 0.00 N ATOM 489 CA TRP A 36 -6.550 10.488 1.395 1.00 0.00 C ATOM 490 C TRP A 36 -5.483 11.543 1.119 1.00 0.00 C ATOM 491 O TRP A 36 -5.616 12.354 0.195 1.00 0.00 O ATOM 492 CB TRP A 36 -6.061 9.041 1.265 1.00 0.00 C ATOM 493 CG TRP A 36 -5.749 8.578 -0.123 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.538 8.520 -0.722 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.707 8.105 -1.107 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.686 8.046 -2.015 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.014 7.800 -2.311 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.101 7.897 -1.081 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.689 7.356 -3.458 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.792 7.435 -2.208 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.087 7.194 -3.402 1.00 0.00 C ATOM 0 H TRP A 36 -7.374 11.044 -0.424 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.847 10.562 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.166 8.924 1.876 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.821 8.382 1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.601 8.800 -0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.914 7.897 -2.665 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.648 8.098 -0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.147 7.142 -4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.858 7.265 -2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.624 6.881 -4.285 1.00 0.00 H new ATOM 512 N GLN A 37 -4.434 11.563 1.935 1.00 0.00 N ATOM 513 CA GLN A 37 -3.193 12.208 1.552 1.00 0.00 C ATOM 514 C GLN A 37 -2.226 11.099 1.138 1.00 0.00 C ATOM 515 O GLN A 37 -2.298 9.979 1.663 1.00 0.00 O ATOM 516 CB GLN A 37 -2.656 13.089 2.685 1.00 0.00 C ATOM 517 CG GLN A 37 -3.620 14.257 2.932 1.00 0.00 C ATOM 518 CD GLN A 37 -2.976 15.347 3.775 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.897 15.217 4.996 1.00 0.00 O ATOM 520 NE2 GLN A 37 -2.494 16.416 3.163 1.00 0.00 N ATOM 0 H GLN A 37 -4.423 11.140 2.863 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.339 12.889 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.543 12.499 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.668 13.469 2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.938 14.675 1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.516 13.890 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.571 16.502 2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.045 17.155 3.705 1.00 0.00 H new ATOM 529 N PRO A 38 -1.369 11.391 0.153 1.00 0.00 N ATOM 530 CA PRO A 38 -0.469 10.423 -0.438 1.00 0.00 C ATOM 531 C PRO A 38 0.623 10.052 0.558 1.00 0.00 C ATOM 532 O PRO A 38 0.945 10.828 1.464 1.00 0.00 O ATOM 533 CB PRO A 38 0.087 11.109 -1.691 1.00 0.00 C ATOM 534 CG PRO A 38 -0.038 12.601 -1.394 1.00 0.00 C ATOM 535 CD PRO A 38 -1.248 12.684 -0.493 1.00 0.00 C ATOM 0 HA PRO A 38 -0.960 9.486 -0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.124 10.825 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.479 10.832 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.855 12.988 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.177 13.181 -2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.128 13.477 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.145 12.916 -1.068 1.00 0.00 H new ATOM 543 N GLY A 39 1.212 8.872 0.386 1.00 0.00 N ATOM 544 CA GLY A 39 2.327 8.438 1.185 1.00 0.00 C ATOM 545 C GLY A 39 3.634 8.960 0.616 1.00 0.00 C ATOM 546 O GLY A 39 3.717 9.621 -0.425 1.00 0.00 O ATOM 0 H GLY A 39 0.919 8.195 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.205 8.790 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.351 7.349 1.223 1.00 0.00 H new ATOM 550 N THR A 40 4.679 8.622 1.345 1.00 0.00 N ATOM 551 CA THR A 40 6.063 8.882 1.064 1.00 0.00 C ATOM 552 C THR A 40 6.476 8.123 -0.206 1.00 0.00 C ATOM 553 O THR A 40 5.874 7.095 -0.542 1.00 0.00 O ATOM 554 CB THR A 40 6.823 8.384 2.307 1.00 0.00 C ATOM 555 OG1 THR A 40 6.156 8.773 3.503 1.00 0.00 O ATOM 556 CG2 THR A 40 8.251 8.898 2.386 1.00 0.00 C ATOM 0 H THR A 40 4.563 8.115 2.223 1.00 0.00 H new ATOM 0 HA THR A 40 6.275 9.935 0.878 1.00 0.00 H new ATOM 0 HB THR A 40 6.849 7.299 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.657 8.444 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.728 8.509 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.806 8.567 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.244 9.987 2.421 1.00 0.00 H new ATOM 564 N PRO A 41 7.503 8.596 -0.918 1.00 0.00 N ATOM 565 CA PRO A 41 8.168 7.826 -1.955 1.00 0.00 C ATOM 566 C PRO A 41 8.901 6.595 -1.405 1.00 0.00 C ATOM 567 O PRO A 41 8.770 6.236 -0.233 1.00 0.00 O ATOM 568 CB PRO A 41 9.108 8.798 -2.668 1.00 0.00 C ATOM 569 CG PRO A 41 9.102 10.082 -1.865 1.00 0.00 C ATOM 570 CD PRO A 41 7.981 9.961 -0.849 1.00 0.00 C ATOM 0 HA PRO A 41 7.440 7.409 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.115 8.386 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.774 8.979 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.060 10.231 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.943 10.943 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.340 10.195 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.178 10.664 -1.072 1.00 0.00 H new ATOM 578 N GLY A 42 9.674 5.937 -2.266 1.00 0.00 N ATOM 579 CA GLY A 42 10.590 4.861 -1.962 1.00 0.00 C ATOM 580 C GLY A 42 11.898 5.167 -2.681 1.00 0.00 C ATOM 581 O GLY A 42 12.245 6.333 -2.907 1.00 0.00 O ATOM 0 H GLY A 42 9.670 6.164 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.751 4.785 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.184 3.905 -2.292 1.00 0.00 H new ATOM 585 N THR A 43 12.616 4.123 -3.062 1.00 0.00 N ATOM 586 CA THR A 43 13.654 4.235 -4.086 1.00 0.00 C ATOM 587 C THR A 43 12.934 4.380 -5.434 1.00 0.00 C ATOM 588 O THR A 43 13.290 5.240 -6.242 1.00 0.00 O ATOM 589 CB THR A 43 14.637 3.035 -4.004 1.00 0.00 C ATOM 590 OG1 THR A 43 15.947 3.454 -3.699 1.00 0.00 O ATOM 591 CG2 THR A 43 14.704 2.142 -5.240 1.00 0.00 C ATOM 0 H THR A 43 12.502 3.184 -2.679 1.00 0.00 H new ATOM 0 HA THR A 43 14.287 5.110 -3.941 1.00 0.00 H new ATOM 0 HB THR A 43 14.213 2.432 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.538 2.673 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.421 1.339 -5.070 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.720 1.715 -5.434 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.019 2.734 -6.100 1.00 0.00 H new ATOM 599 N LEU A 44 11.904 3.556 -5.668 1.00 0.00 N ATOM 600 CA LEU A 44 11.198 3.501 -6.934 1.00 0.00 C ATOM 601 C LEU A 44 9.931 4.342 -6.860 1.00 0.00 C ATOM 602 O LEU A 44 9.305 4.422 -5.796 1.00 0.00 O ATOM 603 CB LEU A 44 10.797 2.059 -7.255 1.00 0.00 C ATOM 604 CG LEU A 44 11.907 1.136 -7.767 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.254 -0.170 -8.207 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.703 1.744 -8.919 1.00 0.00 C ATOM 0 H LEU A 44 11.542 2.906 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 44 11.860 3.885 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.373 1.615 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.003 2.084 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 44 12.624 0.972 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.019 -0.852 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.743 -0.625 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.533 0.032 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.474 1.043 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.034 1.952 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.170 2.672 -8.589 1.00 0.00 H new ATOM 618 N PRO A 45 9.502 4.903 -7.997 1.00 0.00 N ATOM 619 CA PRO A 45 8.373 5.804 -8.076 1.00 0.00 C ATOM 620 C PRO A 45 7.084 5.022 -7.882 1.00 0.00 C ATOM 621 O PRO A 45 6.978 3.841 -8.216 1.00 0.00 O ATOM 622 CB PRO A 45 8.477 6.446 -9.462 1.00 0.00 C ATOM 623 CG PRO A 45 9.108 5.341 -10.303 1.00 0.00 C ATOM 624 CD PRO A 45 10.007 4.599 -9.324 1.00 0.00 C ATOM 0 HA PRO A 45 8.373 6.572 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.500 6.738 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.095 7.344 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.351 4.682 -10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.678 5.751 -11.137 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.985 3.526 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.044 4.919 -9.428 1.00 0.00 H new ATOM 632 N ALA A 46 6.089 5.721 -7.356 1.00 0.00 N ATOM 633 CA ALA A 46 4.713 5.289 -7.398 1.00 0.00 C ATOM 634 C ALA A 46 4.240 5.303 -8.853 1.00 0.00 C ATOM 635 O ALA A 46 4.818 5.966 -9.721 1.00 0.00 O ATOM 636 CB ALA A 46 3.913 6.242 -6.514 1.00 0.00 C ATOM 0 H ALA A 46 6.224 6.615 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 46 4.582 4.273 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.863 5.948 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.296 6.201 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.007 7.258 -6.896 1.00 0.00 H new ATOM 642 N SER A 47 3.173 4.559 -9.104 1.00 0.00 N ATOM 643 CA SER A 47 2.695 4.192 -10.423 1.00 0.00 C ATOM 644 C SER A 47 1.177 4.357 -10.508 1.00 0.00 C ATOM 645 O SER A 47 0.697 4.868 -11.520 1.00 0.00 O ATOM 646 CB SER A 47 3.129 2.746 -10.688 1.00 0.00 C ATOM 647 OG SER A 47 4.504 2.619 -10.991 1.00 0.00 O ATOM 0 H SER A 47 2.592 4.179 -8.357 1.00 0.00 H new ATOM 0 HA SER A 47 3.120 4.844 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.900 2.139 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.544 2.345 -11.515 1.00 0.00 H new ATOM 0 HG SER A 47 4.719 1.676 -11.148 1.00 0.00 H new ATOM 653 N ALA A 48 0.419 3.958 -9.478 1.00 0.00 N ATOM 654 CA ALA A 48 -0.984 4.325 -9.295 1.00 0.00 C ATOM 655 C ALA A 48 -1.354 4.107 -7.823 1.00 0.00 C ATOM 656 O ALA A 48 -0.485 3.763 -7.021 1.00 0.00 O ATOM 657 CB ALA A 48 -1.883 3.494 -10.218 1.00 0.00 C ATOM 0 H ALA A 48 0.776 3.358 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.132 5.373 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.924 3.781 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.604 3.673 -11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.762 2.436 -9.987 1.00 0.00 H new ATOM 663 N TYR A 49 -2.639 4.209 -7.477 1.00 0.00 N ATOM 664 CA TYR A 49 -3.200 3.573 -6.289 1.00 0.00 C ATOM 665 C TYR A 49 -4.177 2.465 -6.708 1.00 0.00 C ATOM 666 O TYR A 49 -4.607 2.378 -7.861 1.00 0.00 O ATOM 667 CB TYR A 49 -3.887 4.611 -5.371 1.00 0.00 C ATOM 668 CG TYR A 49 -2.970 5.588 -4.656 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.335 5.221 -3.456 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.779 6.885 -5.162 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.463 6.104 -2.803 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.898 7.772 -4.519 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.211 7.371 -3.357 1.00 0.00 C ATOM 674 OH TYR A 49 -0.316 8.203 -2.772 1.00 0.00 O ATOM 0 H TYR A 49 -3.322 4.739 -8.018 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.389 3.124 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.595 5.183 -5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.466 4.073 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.522 4.246 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.311 7.201 -6.047 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.987 5.812 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.748 8.764 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 49 0.094 8.775 -3.454 1.00 0.00 H new ATOM 684 N ILE A 50 -4.564 1.638 -5.745 1.00 0.00 N ATOM 685 CA ILE A 50 -5.681 0.701 -5.743 1.00 0.00 C ATOM 686 C ILE A 50 -6.586 1.104 -4.567 1.00 0.00 C ATOM 687 O ILE A 50 -6.103 1.709 -3.608 1.00 0.00 O ATOM 688 CB ILE A 50 -5.111 -0.745 -5.640 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.063 -1.383 -7.043 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.906 -1.650 -4.691 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.492 -2.807 -7.044 1.00 0.00 C ATOM 0 H ILE A 50 -4.055 1.603 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.278 0.727 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.109 -0.656 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.070 -1.403 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.459 -0.756 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.453 -2.641 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.896 -1.224 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.935 -1.730 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.487 -3.196 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.473 -2.791 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.110 -3.447 -6.414 1.00 0.00 H new ATOM 703 N ILE A 51 -7.866 0.715 -4.602 1.00 0.00 N ATOM 704 CA ILE A 51 -8.767 0.765 -3.452 1.00 0.00 C ATOM 705 C ILE A 51 -9.365 -0.624 -3.303 1.00 0.00 C ATOM 706 O ILE A 51 -9.763 -1.245 -4.296 1.00 0.00 O ATOM 707 CB ILE A 51 -9.862 1.839 -3.631 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.195 3.224 -3.755 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.921 1.844 -2.504 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.195 4.319 -4.099 1.00 0.00 C ATOM 0 H ILE A 51 -8.309 0.351 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.223 1.048 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.407 1.594 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.698 3.471 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.423 3.185 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.656 2.625 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.420 0.876 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.434 2.035 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.676 5.275 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.673 4.089 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.952 4.379 -3.317 1.00 0.00 H new ATOM 722 N GLU A 52 -9.478 -1.075 -2.061 1.00 0.00 N ATOM 723 CA GLU A 52 -10.159 -2.299 -1.684 1.00 0.00 C ATOM 724 C GLU A 52 -11.311 -1.938 -0.755 1.00 0.00 C ATOM 725 O GLU A 52 -11.320 -0.843 -0.190 1.00 0.00 O ATOM 726 CB GLU A 52 -9.180 -3.271 -1.012 1.00 0.00 C ATOM 727 CG GLU A 52 -8.054 -3.665 -1.973 1.00 0.00 C ATOM 728 CD GLU A 52 -7.150 -4.766 -1.427 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.651 -5.706 -0.766 1.00 0.00 O ATOM 730 OE2 GLU A 52 -5.934 -4.740 -1.721 1.00 0.00 O ATOM 0 H GLU A 52 -9.083 -0.578 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.553 -2.801 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.757 -2.809 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.714 -4.164 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.490 -3.997 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.450 -2.785 -2.194 1.00 0.00 H new ATOM 737 N ALA A 53 -12.269 -2.849 -0.592 1.00 0.00 N ATOM 738 CA ALA A 53 -13.364 -2.753 0.361 1.00 0.00 C ATOM 739 C ALA A 53 -13.661 -4.146 0.900 1.00 0.00 C ATOM 740 O ALA A 53 -13.343 -5.161 0.269 1.00 0.00 O ATOM 741 CB ALA A 53 -14.627 -2.216 -0.324 1.00 0.00 C ATOM 0 H ALA A 53 -12.301 -3.706 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.078 -2.075 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.436 -2.151 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.426 -1.226 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.918 -2.889 -1.130 1.00 0.00 H new ATOM 747 N PHE A 54 -14.361 -4.170 2.024 1.00 0.00 N ATOM 748 CA PHE A 54 -14.897 -5.344 2.685 1.00 0.00 C ATOM 749 C PHE A 54 -16.318 -4.980 3.105 1.00 0.00 C ATOM 750 O PHE A 54 -16.561 -3.821 3.436 1.00 0.00 O ATOM 751 CB PHE A 54 -14.004 -5.658 3.893 1.00 0.00 C ATOM 752 CG PHE A 54 -14.515 -6.656 4.917 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.496 -6.282 5.859 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.932 -7.934 5.002 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.853 -7.155 6.894 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.294 -8.806 6.043 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.236 -8.407 7.004 1.00 0.00 C ATOM 0 H PHE A 54 -14.583 -3.312 2.529 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.918 -6.229 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.050 -6.025 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.802 -4.721 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.974 -5.317 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.205 -8.245 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.607 -6.862 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.846 -9.787 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.484 -9.063 7.825 1.00 0.00 H new ATOM 767 N SER A 55 -17.247 -5.937 3.163 1.00 0.00 N ATOM 768 CA SER A 55 -18.487 -5.775 3.912 1.00 0.00 C ATOM 769 C SER A 55 -18.821 -7.104 4.584 1.00 0.00 C ATOM 770 O SER A 55 -18.352 -8.161 4.148 1.00 0.00 O ATOM 771 CB SER A 55 -19.623 -5.393 2.958 1.00 0.00 C ATOM 772 OG SER A 55 -20.757 -4.895 3.615 1.00 0.00 O ATOM 0 H SER A 55 -17.159 -6.839 2.694 1.00 0.00 H new ATOM 0 HA SER A 55 -18.369 -4.990 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.261 -4.643 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.906 -6.268 2.373 1.00 0.00 H new ATOM 0 HG SER A 55 -20.599 -3.965 3.881 1.00 0.00 H new ATOM 778 N GLN A 56 -19.739 -7.067 5.548 1.00 0.00 N ATOM 779 CA GLN A 56 -20.310 -8.240 6.180 1.00 0.00 C ATOM 780 C GLN A 56 -21.677 -8.600 5.582 1.00 0.00 C ATOM 781 O GLN A 56 -22.593 -9.009 6.300 1.00 0.00 O ATOM 782 CB GLN A 56 -20.398 -8.000 7.686 1.00 0.00 C ATOM 783 CG GLN A 56 -20.397 -9.328 8.447 1.00 0.00 C ATOM 784 CD GLN A 56 -19.969 -9.164 9.901 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.856 -8.730 10.195 1.00 0.00 O ATOM 786 NE2 GLN A 56 -20.810 -9.535 10.848 1.00 0.00 N ATOM 0 H GLN A 56 -20.112 -6.192 5.917 1.00 0.00 H new ATOM 0 HA GLN A 56 -19.662 -9.096 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.557 -7.388 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -21.306 -7.443 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -21.395 -9.765 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.725 -10.028 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -21.732 -9.894 10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.538 -9.462 11.828 1.00 0.00 H new ATOM 795 N SER A 57 -21.867 -8.367 4.285 1.00 0.00 N ATOM 796 CA SER A 57 -22.985 -8.947 3.542 1.00 0.00 C ATOM 797 C SER A 57 -22.727 -8.979 2.019 1.00 0.00 C ATOM 798 O SER A 57 -23.632 -8.754 1.213 1.00 0.00 O ATOM 799 CB SER A 57 -24.309 -8.239 3.885 1.00 0.00 C ATOM 800 OG SER A 57 -25.368 -9.185 3.949 1.00 0.00 O ATOM 0 H SER A 57 -21.256 -7.775 3.722 1.00 0.00 H new ATOM 0 HA SER A 57 -23.074 -9.986 3.859 1.00 0.00 H new ATOM 0 HB2 SER A 57 -24.216 -7.721 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.532 -7.483 3.132 1.00 0.00 H new ATOM 0 HG SER A 57 -26.205 -8.725 4.169 1.00 0.00 H new ATOM 806 N VAL A 58 -21.476 -9.179 1.601 1.00 0.00 N ATOM 807 CA VAL A 58 -21.043 -9.144 0.203 1.00 0.00 C ATOM 808 C VAL A 58 -20.440 -10.501 -0.184 1.00 0.00 C ATOM 809 O VAL A 58 -21.067 -11.280 -0.904 1.00 0.00 O ATOM 810 CB VAL A 58 -20.157 -7.906 -0.054 1.00 0.00 C ATOM 811 CG1 VAL A 58 -21.015 -6.631 -0.009 1.00 0.00 C ATOM 812 CG2 VAL A 58 -18.948 -7.796 0.860 1.00 0.00 C ATOM 0 H VAL A 58 -20.712 -9.376 2.247 1.00 0.00 H new ATOM 0 HA VAL A 58 -21.888 -9.010 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.736 -8.031 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.384 -5.761 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.788 -6.685 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.482 -6.541 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.383 -6.898 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.280 -7.738 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.313 -8.672 0.730 1.00 0.00 H new ATOM 822 N SER A 59 -19.245 -10.802 0.323 1.00 0.00 N ATOM 823 CA SER A 59 -18.507 -12.023 0.044 1.00 0.00 C ATOM 824 C SER A 59 -17.545 -12.387 1.184 1.00 0.00 C ATOM 825 O SER A 59 -16.852 -13.398 1.091 1.00 0.00 O ATOM 826 CB SER A 59 -17.746 -11.819 -1.272 1.00 0.00 C ATOM 827 OG SER A 59 -18.059 -12.833 -2.196 1.00 0.00 O ATOM 0 H SER A 59 -18.751 -10.178 0.961 1.00 0.00 H new ATOM 0 HA SER A 59 -19.204 -12.857 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.997 -10.846 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.673 -11.816 -1.079 1.00 0.00 H new ATOM 0 HG SER A 59 -17.564 -12.682 -3.028 1.00 0.00 H new ATOM 833 N ASN A 60 -17.493 -11.598 2.267 1.00 0.00 N ATOM 834 CA ASN A 60 -16.634 -11.735 3.454 1.00 0.00 C ATOM 835 C ASN A 60 -15.124 -11.618 3.191 1.00 0.00 C ATOM 836 O ASN A 60 -14.360 -11.297 4.099 1.00 0.00 O ATOM 837 CB ASN A 60 -16.971 -13.021 4.234 1.00 0.00 C ATOM 838 CG ASN A 60 -17.060 -12.732 5.721 1.00 0.00 C ATOM 839 OD1 ASN A 60 -16.108 -12.285 6.348 1.00 0.00 O ATOM 840 ND2 ASN A 60 -18.227 -12.881 6.315 1.00 0.00 N ATOM 0 H ASN A 60 -18.099 -10.781 2.342 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.869 -10.867 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.917 -13.431 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.207 -13.776 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.336 -12.624 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.021 -13.253 5.794 1.00 0.00 H new ATOM 847 N SER A 61 -14.688 -11.835 1.958 1.00 0.00 N ATOM 848 CA SER A 61 -13.385 -11.484 1.431 1.00 0.00 C ATOM 849 C SER A 61 -13.189 -9.958 1.436 1.00 0.00 C ATOM 850 O SER A 61 -14.166 -9.199 1.407 1.00 0.00 O ATOM 851 CB SER A 61 -13.374 -12.044 0.004 1.00 0.00 C ATOM 852 OG SER A 61 -13.244 -13.458 -0.002 1.00 0.00 O ATOM 0 H SER A 61 -15.275 -12.290 1.259 1.00 0.00 H new ATOM 0 HA SER A 61 -12.572 -11.893 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.295 -11.761 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.550 -11.600 -0.555 1.00 0.00 H new ATOM 0 HG SER A 61 -13.242 -13.782 -0.927 1.00 0.00 H new ATOM 858 N TRP A 62 -11.940 -9.493 1.392 1.00 0.00 N ATOM 859 CA TRP A 62 -11.644 -8.195 0.790 1.00 0.00 C ATOM 860 C TRP A 62 -11.694 -8.364 -0.729 1.00 0.00 C ATOM 861 O TRP A 62 -11.494 -9.475 -1.233 1.00 0.00 O ATOM 862 CB TRP A 62 -10.261 -7.705 1.227 1.00 0.00 C ATOM 863 CG TRP A 62 -10.218 -7.101 2.597 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.987 -7.754 3.756 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.439 -5.709 2.966 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.017 -6.857 4.805 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.334 -5.587 4.382 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.746 -4.541 2.244 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.531 -4.369 5.049 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.994 -3.325 2.904 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.886 -3.236 4.301 1.00 0.00 C ATOM 0 H TRP A 62 -11.128 -9.988 1.761 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.374 -7.453 1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.565 -8.543 1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.907 -6.967 0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.807 -8.815 3.848 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.827 -7.106 5.776 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.792 -4.579 1.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.411 -4.304 6.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.270 -2.452 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.076 -2.297 4.799 1.00 0.00 H new ATOM 882 N GLN A 63 -11.972 -7.286 -1.463 1.00 0.00 N ATOM 883 CA GLN A 63 -11.925 -7.271 -2.924 1.00 0.00 C ATOM 884 C GLN A 63 -11.361 -5.929 -3.357 1.00 0.00 C ATOM 885 O GLN A 63 -11.576 -4.922 -2.672 1.00 0.00 O ATOM 886 CB GLN A 63 -13.320 -7.481 -3.555 1.00 0.00 C ATOM 887 CG GLN A 63 -14.092 -8.592 -2.841 1.00 0.00 C ATOM 888 CD GLN A 63 -15.350 -9.082 -3.536 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.140 -8.287 -4.042 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.598 -10.381 -3.502 1.00 0.00 N ATOM 0 H GLN A 63 -12.239 -6.390 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.297 -8.094 -3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.887 -6.552 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.210 -7.732 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.423 -9.441 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.365 -8.237 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.925 -11.018 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.462 -10.746 -3.902 1.00 0.00 H new ATOM 899 N THR A 64 -10.729 -5.889 -4.527 1.00 0.00 N ATOM 900 CA THR A 64 -10.431 -4.625 -5.177 1.00 0.00 C ATOM 901 C THR A 64 -11.759 -4.033 -5.622 1.00 0.00 C ATOM 902 O THR A 64 -12.579 -4.736 -6.220 1.00 0.00 O ATOM 903 CB THR A 64 -9.473 -4.777 -6.374 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.274 -6.104 -6.813 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.114 -4.165 -6.071 1.00 0.00 C ATOM 0 H THR A 64 -10.417 -6.714 -5.038 1.00 0.00 H new ATOM 0 HA THR A 64 -9.915 -3.970 -4.475 1.00 0.00 H new ATOM 0 HB THR A 64 -9.974 -4.244 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.656 -6.108 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.459 -4.287 -6.934 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.233 -3.104 -5.854 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.674 -4.665 -5.208 1.00 0.00 H new ATOM 913 N VAL A 65 -11.956 -2.742 -5.369 1.00 0.00 N ATOM 914 CA VAL A 65 -13.141 -2.027 -5.811 1.00 0.00 C ATOM 915 C VAL A 65 -12.776 -0.818 -6.675 1.00 0.00 C ATOM 916 O VAL A 65 -13.619 -0.387 -7.462 1.00 0.00 O ATOM 917 CB VAL A 65 -14.066 -1.710 -4.619 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.478 -2.999 -3.868 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.448 -0.699 -3.645 1.00 0.00 C ATOM 0 H VAL A 65 -11.294 -2.164 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.723 -2.673 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.960 -1.250 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.130 -2.741 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.008 -3.664 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.587 -3.501 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.142 -0.513 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.516 -1.100 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.247 0.235 -4.169 1.00 0.00 H new ATOM 929 N ALA A 66 -11.537 -0.312 -6.626 1.00 0.00 N ATOM 930 CA ALA A 66 -10.995 0.546 -7.673 1.00 0.00 C ATOM 931 C ALA A 66 -9.577 0.088 -7.981 1.00 0.00 C ATOM 932 O ALA A 66 -8.923 -0.556 -7.157 1.00 0.00 O ATOM 933 CB ALA A 66 -11.019 2.021 -7.268 1.00 0.00 C ATOM 0 H ALA A 66 -10.888 -0.489 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.617 0.461 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.607 2.627 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.046 2.328 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.421 2.161 -6.368 1.00 0.00 H new ATOM 939 N ASN A 67 -9.100 0.408 -9.177 1.00 0.00 N ATOM 940 CA ASN A 67 -7.792 0.003 -9.662 1.00 0.00 C ATOM 941 C ASN A 67 -7.209 1.142 -10.484 1.00 0.00 C ATOM 942 O ASN A 67 -7.966 1.865 -11.135 1.00 0.00 O ATOM 943 CB ASN A 67 -7.954 -1.285 -10.482 1.00 0.00 C ATOM 944 CG ASN A 67 -6.673 -1.683 -11.187 1.00 0.00 C ATOM 945 OD1 ASN A 67 -6.466 -1.301 -12.331 1.00 0.00 O ATOM 946 ND2 ASN A 67 -5.792 -2.401 -10.512 1.00 0.00 N ATOM 0 H ASN A 67 -9.624 0.968 -9.849 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.104 -0.206 -8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.271 -2.094 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.744 -1.146 -11.220 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.903 -2.655 -10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.001 -2.701 -9.560 1.00 0.00 H new ATOM 953 N HIS A 68 -5.884 1.288 -10.461 1.00 0.00 N ATOM 954 CA HIS A 68 -5.164 2.316 -11.218 1.00 0.00 C ATOM 955 C HIS A 68 -5.731 3.723 -10.954 1.00 0.00 C ATOM 956 O HIS A 68 -6.009 4.498 -11.871 1.00 0.00 O ATOM 957 CB HIS A 68 -5.068 1.944 -12.713 1.00 0.00 C ATOM 958 CG HIS A 68 -3.877 1.081 -13.032 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.864 1.414 -13.903 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.577 -0.134 -12.480 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.966 0.416 -13.873 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.360 -0.550 -13.026 1.00 0.00 N ATOM 0 H HIS A 68 -5.271 0.688 -9.909 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.136 2.353 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.977 1.422 -13.010 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.016 2.857 -13.306 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.171 -0.672 -11.756 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.053 0.393 -14.450 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.866 -1.419 -12.821 1.00 0.00 H new ATOM 970 N VAL A 69 -5.901 4.075 -9.682 1.00 0.00 N ATOM 971 CA VAL A 69 -6.406 5.369 -9.252 1.00 0.00 C ATOM 972 C VAL A 69 -5.265 6.374 -9.335 1.00 0.00 C ATOM 973 O VAL A 69 -4.369 6.405 -8.488 1.00 0.00 O ATOM 974 CB VAL A 69 -7.054 5.252 -7.859 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.468 6.612 -7.287 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.313 4.385 -7.950 1.00 0.00 C ATOM 0 H VAL A 69 -5.685 3.450 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.202 5.729 -9.904 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.306 4.809 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.919 6.472 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.590 7.251 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.190 7.083 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.770 4.303 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.021 4.843 -8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.045 3.391 -8.310 1.00 0.00 H new ATOM 986 N LYS A 70 -5.283 7.191 -10.385 1.00 0.00 N ATOM 987 CA LYS A 70 -4.272 8.200 -10.673 1.00 0.00 C ATOM 988 C LYS A 70 -4.728 9.542 -10.100 1.00 0.00 C ATOM 989 O LYS A 70 -4.813 10.551 -10.806 1.00 0.00 O ATOM 990 CB LYS A 70 -4.045 8.191 -12.186 1.00 0.00 C ATOM 991 CG LYS A 70 -3.380 6.872 -12.625 1.00 0.00 C ATOM 992 CD LYS A 70 -3.561 6.616 -14.120 1.00 0.00 C ATOM 993 CE LYS A 70 -4.885 5.890 -14.359 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.106 5.578 -15.779 1.00 0.00 N ATOM 0 H LYS A 70 -6.028 7.166 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.312 7.996 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.997 8.315 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.416 9.034 -12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.317 6.904 -12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.807 6.044 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.549 7.560 -14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.733 6.018 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.899 4.966 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.706 6.507 -13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.016 5.087 -15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.120 6.460 -16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.339 4.967 -16.124 1.00 0.00 H new ATOM 1008 N THR A 71 -5.112 9.526 -8.825 1.00 0.00 N ATOM 1009 CA THR A 71 -5.520 10.683 -8.037 1.00 0.00 C ATOM 1010 C THR A 71 -5.323 10.325 -6.552 1.00 0.00 C ATOM 1011 O THR A 71 -4.682 9.315 -6.252 1.00 0.00 O ATOM 1012 CB THR A 71 -6.949 11.106 -8.446 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.432 12.171 -7.664 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.963 9.962 -8.414 1.00 0.00 C ATOM 0 H THR A 71 -5.148 8.660 -8.288 1.00 0.00 H new ATOM 0 HA THR A 71 -4.912 11.568 -8.224 1.00 0.00 H new ATOM 0 HB THR A 71 -6.848 11.432 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.337 12.408 -7.957 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.942 10.335 -8.713 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.648 9.177 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.022 9.556 -7.404 1.00 0.00 H new ATOM 1022 N THR A 72 -5.819 11.156 -5.639 1.00 0.00 N ATOM 1023 CA THR A 72 -5.873 10.947 -4.189 1.00 0.00 C ATOM 1024 C THR A 72 -7.270 11.261 -3.622 1.00 0.00 C ATOM 1025 O THR A 72 -7.475 11.196 -2.413 1.00 0.00 O ATOM 1026 CB THR A 72 -4.779 11.763 -3.474 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.848 13.124 -3.850 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.367 11.264 -3.786 1.00 0.00 C ATOM 0 H THR A 72 -6.221 12.054 -5.907 1.00 0.00 H new ATOM 0 HA THR A 72 -5.680 9.891 -4.000 1.00 0.00 H new ATOM 0 HB THR A 72 -4.967 11.641 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.147 13.628 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.639 11.877 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.269 10.226 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.185 11.333 -4.859 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.243 11.610 -4.474 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.645 11.711 -4.112 1.00 0.00 C ATOM 1038 C LEU A 73 -10.380 10.893 -5.169 1.00 0.00 C ATOM 1039 O LEU A 73 -10.188 11.156 -6.357 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.061 13.187 -4.093 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.516 13.423 -3.641 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -11.746 13.454 -2.143 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.969 14.793 -4.107 1.00 0.00 C ATOM 0 H LEU A 73 -8.063 11.833 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.873 11.329 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.392 13.734 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.930 13.604 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.057 12.578 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.803 13.626 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.444 12.501 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.157 14.257 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.998 14.964 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.324 15.557 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.912 14.845 -5.194 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.120 9.856 -4.788 1.00 0.00 N ATOM 1056 CA TYR A 74 -11.818 8.966 -5.712 1.00 0.00 C ATOM 1057 C TYR A 74 -13.134 8.515 -5.088 1.00 0.00 C ATOM 1058 O TYR A 74 -13.257 8.425 -3.864 1.00 0.00 O ATOM 1059 CB TYR A 74 -10.904 7.784 -6.059 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.499 6.793 -7.040 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.328 6.958 -8.426 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.263 5.717 -6.559 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -11.907 6.036 -9.318 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -12.876 4.814 -7.434 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.682 4.959 -8.824 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.261 4.078 -9.679 1.00 0.00 O ATOM 0 H TYR A 74 -11.254 9.605 -3.808 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.058 9.486 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.973 8.171 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.649 7.257 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.754 7.790 -8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.379 5.584 -5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.760 6.150 -10.382 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.491 4.014 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.754 3.403 -9.168 1.00 0.00 H new ATOM 1076 N THR A 75 -14.122 8.220 -5.927 1.00 0.00 N ATOM 1077 CA THR A 75 -15.469 7.875 -5.517 1.00 0.00 C ATOM 1078 C THR A 75 -15.706 6.398 -5.808 1.00 0.00 C ATOM 1079 O THR A 75 -15.709 5.985 -6.973 1.00 0.00 O ATOM 1080 CB THR A 75 -16.450 8.825 -6.215 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.209 10.140 -5.747 1.00 0.00 O ATOM 1082 CG2 THR A 75 -17.909 8.470 -5.914 1.00 0.00 C ATOM 0 H THR A 75 -13.999 8.216 -6.940 1.00 0.00 H new ATOM 0 HA THR A 75 -15.624 8.004 -4.446 1.00 0.00 H new ATOM 0 HB THR A 75 -16.294 8.741 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.827 10.762 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.567 9.169 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.115 7.457 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.084 8.531 -4.840 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.886 5.615 -4.743 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.366 4.244 -4.800 1.00 0.00 C ATOM 1092 C VAL A 76 -17.795 4.270 -5.325 1.00 0.00 C ATOM 1093 O VAL A 76 -18.538 5.203 -5.008 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.339 3.593 -3.402 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.606 2.084 -3.524 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.982 3.766 -2.715 1.00 0.00 C ATOM 0 H VAL A 76 -15.695 5.932 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.722 3.657 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.108 4.087 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.586 1.630 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.584 1.923 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.838 1.628 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.008 3.292 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.205 3.301 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.765 4.828 -2.600 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.200 3.254 -6.090 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.550 3.153 -6.648 1.00 0.00 C ATOM 1108 C ARG A 77 -20.148 1.768 -6.453 1.00 0.00 C ATOM 1109 O ARG A 77 -19.494 0.857 -5.950 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.492 3.520 -8.137 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.009 4.967 -8.314 1.00 0.00 C ATOM 1112 CD ARG A 77 -18.961 5.430 -9.765 1.00 0.00 C ATOM 1113 NE ARG A 77 -18.868 6.899 -9.806 1.00 0.00 N ATOM 1114 CZ ARG A 77 -18.299 7.644 -10.755 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -17.809 7.089 -11.859 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -18.239 8.958 -10.588 1.00 0.00 N ATOM 0 H ARG A 77 -17.595 2.472 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.202 3.846 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.820 2.839 -8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.478 3.402 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.667 5.630 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.014 5.063 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.104 4.986 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.853 5.096 -10.295 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.284 7.402 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.865 6.079 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.377 7.673 -12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.624 9.383 -9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.808 9.544 -11.303 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.402 1.610 -6.878 1.00 0.00 N ATOM 1131 CA GLY A 78 -22.089 0.328 -6.985 1.00 0.00 C ATOM 1132 C GLY A 78 -22.155 -0.451 -5.673 1.00 0.00 C ATOM 1133 O GLY A 78 -22.206 -1.677 -5.696 1.00 0.00 O ATOM 0 H GLY A 78 -21.983 2.397 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -23.103 0.500 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.584 -0.282 -7.733 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.127 0.236 -4.532 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.162 -0.391 -3.206 1.00 0.00 C ATOM 1139 C LEU A 79 -23.592 -0.788 -2.852 1.00 0.00 C ATOM 1140 O LEU A 79 -24.530 -0.591 -3.632 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.582 0.545 -2.129 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.103 0.872 -2.338 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.746 2.081 -1.479 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.176 -0.298 -2.004 1.00 0.00 C ATOM 0 H LEU A 79 -22.079 1.254 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.541 -1.287 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.153 1.473 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.709 0.082 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.956 1.087 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.693 2.327 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.359 2.932 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.930 1.849 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.141 -0.002 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.307 -0.579 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.419 -1.148 -2.642 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.769 -1.354 -1.662 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.080 -1.688 -1.106 1.00 0.00 C ATOM 1158 C ARG A 80 -25.513 -0.570 -0.179 1.00 0.00 C ATOM 1159 O ARG A 80 -24.681 -0.093 0.590 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.057 -3.011 -0.327 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.750 -4.119 -1.321 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.504 -5.488 -0.701 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.371 -6.473 -1.788 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.315 -7.336 -2.182 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.414 -7.511 -1.453 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.171 -8.008 -3.317 1.00 0.00 N ATOM 0 H ARG A 80 -22.994 -1.598 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.780 -1.805 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.302 -2.981 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.017 -3.187 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.581 -4.198 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.871 -3.835 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -23.601 -5.472 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.328 -5.760 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 80 -23.480 -6.500 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -26.541 -6.986 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -27.129 -8.170 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.340 -7.867 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -25.892 -8.665 -3.615 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.790 -0.180 -0.204 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.332 0.776 0.743 1.00 0.00 C ATOM 1182 C PRO A 81 -27.476 0.134 2.121 1.00 0.00 C ATOM 1183 O PRO A 81 -27.521 -1.095 2.239 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.651 1.207 0.112 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.117 -0.016 -0.675 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.829 -0.732 -1.058 1.00 0.00 C ATOM 0 HA PRO A 81 -26.695 1.642 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.380 1.492 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.516 2.070 -0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.763 -0.655 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.689 0.273 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.923 -1.808 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.593 -0.573 -2.110 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.560 0.981 3.154 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.757 0.609 4.557 1.00 0.00 C ATOM 1196 C ASN A 82 -26.790 -0.510 4.994 1.00 0.00 C ATOM 1197 O ASN A 82 -27.158 -1.385 5.774 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.248 0.255 4.738 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.739 0.325 6.176 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -30.158 1.379 6.641 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -29.810 -0.770 6.904 1.00 0.00 N ATOM 0 H ASN A 82 -27.489 1.991 3.027 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.514 1.441 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.847 0.932 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.419 -0.752 4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.210 -0.734 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -29.465 -1.654 6.530 1.00 0.00 H new ATOM 1208 N THR A 83 -25.563 -0.517 4.468 1.00 0.00 N ATOM 1209 CA THR A 83 -24.566 -1.572 4.624 1.00 0.00 C ATOM 1210 C THR A 83 -23.237 -0.903 4.978 1.00 0.00 C ATOM 1211 O THR A 83 -22.866 0.115 4.391 1.00 0.00 O ATOM 1212 CB THR A 83 -24.560 -2.453 3.338 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.838 -3.043 3.157 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.557 -3.591 3.423 1.00 0.00 C ATOM 0 H THR A 83 -25.223 0.254 3.893 1.00 0.00 H new ATOM 0 HA THR A 83 -24.787 -2.263 5.438 1.00 0.00 H new ATOM 0 HB THR A 83 -24.292 -1.795 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.433 -2.405 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.591 -4.175 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.555 -3.184 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.805 -4.232 4.269 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.557 -1.431 5.998 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.195 -1.043 6.324 1.00 0.00 C ATOM 1224 C ILE A 84 -20.296 -1.468 5.179 1.00 0.00 C ATOM 1225 O ILE A 84 -20.466 -2.545 4.607 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.744 -1.711 7.645 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.404 -1.102 8.896 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.210 -1.679 7.872 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.361 0.425 8.962 1.00 0.00 C ATOM 0 H ILE A 84 -22.943 -2.142 6.620 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.137 0.037 6.463 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.071 -2.743 7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.444 -1.425 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -20.912 -1.504 9.782 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -18.972 -2.166 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.711 -2.204 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -18.868 -0.644 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -21.849 0.764 9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.324 0.760 8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.880 0.841 8.098 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.252 -0.689 4.958 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.055 -1.151 4.298 1.00 0.00 C ATOM 1243 C TYR A 85 -16.871 -0.715 5.132 1.00 0.00 C ATOM 1244 O TYR A 85 -16.939 0.253 5.892 1.00 0.00 O ATOM 1245 CB TYR A 85 -17.963 -0.571 2.880 1.00 0.00 C ATOM 1246 CG TYR A 85 -18.977 -1.174 1.939 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.300 -0.693 1.928 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.612 -2.272 1.139 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.276 -1.339 1.159 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.576 -2.909 0.343 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.912 -2.457 0.382 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.864 -3.119 -0.313 1.00 0.00 O ATOM 0 H TYR A 85 -19.216 0.292 5.237 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.070 -2.237 4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.109 0.508 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.961 -0.741 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.563 0.176 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.591 -2.624 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.296 -0.984 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.298 -3.737 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.455 -3.865 -0.799 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.765 -1.407 4.914 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.446 -0.852 5.115 1.00 0.00 C ATOM 1264 C LEU A 86 -13.871 -0.632 3.754 1.00 0.00 C ATOM 1265 O LEU A 86 -14.302 -1.281 2.808 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.550 -1.786 5.935 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.064 -2.086 7.348 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.609 -3.482 7.762 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.571 -1.040 8.352 1.00 0.00 C ATOM 0 H LEU A 86 -15.762 -2.374 4.591 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.509 0.078 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.438 -2.727 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.557 -1.342 6.010 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.153 -2.045 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.972 -3.700 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.009 -4.217 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.520 -3.528 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.952 -1.280 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.481 -1.040 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.928 -0.054 8.055 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.900 0.268 3.699 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.092 0.542 2.543 1.00 0.00 C ATOM 1283 C PHE A 87 -10.643 0.576 3.000 1.00 0.00 C ATOM 1284 O PHE A 87 -10.358 0.925 4.152 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.503 1.872 1.902 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.960 1.966 1.519 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.425 1.194 0.445 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.846 2.802 2.221 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.780 1.226 0.087 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.196 2.862 1.836 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.666 2.074 0.775 1.00 0.00 C ATOM 0 H PHE A 87 -12.651 0.848 4.501 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.228 -0.230 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.271 2.680 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.896 2.033 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.737 0.572 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.491 3.395 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.143 0.601 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.875 3.518 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.706 2.118 0.487 1.00 0.00 H new ATOM 1301 N MET A 88 -9.732 0.246 2.092 1.00 0.00 N ATOM 1302 CA MET A 88 -8.319 0.557 2.221 1.00 0.00 C ATOM 1303 C MET A 88 -7.847 1.131 0.892 1.00 0.00 C ATOM 1304 O MET A 88 -8.536 1.003 -0.124 1.00 0.00 O ATOM 1305 CB MET A 88 -7.498 -0.685 2.575 1.00 0.00 C ATOM 1306 CG MET A 88 -7.825 -1.256 3.950 1.00 0.00 C ATOM 1307 SD MET A 88 -6.552 -2.365 4.607 1.00 0.00 S ATOM 1308 CE MET A 88 -6.880 -3.851 3.625 1.00 0.00 C ATOM 0 H MET A 88 -9.961 -0.253 1.233 1.00 0.00 H new ATOM 0 HA MET A 88 -8.179 1.275 3.029 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.671 -1.453 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.438 -0.434 2.537 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.971 -0.433 4.649 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.770 -1.797 3.893 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.763 -4.735 4.252 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.898 -3.813 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.177 -3.900 2.794 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.671 1.743 0.885 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.970 2.166 -0.312 1.00 0.00 C ATOM 1320 C VAL A 89 -4.640 1.406 -0.284 1.00 0.00 C ATOM 1321 O VAL A 89 -4.070 1.171 0.788 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.795 3.701 -0.309 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.149 4.220 -1.597 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.109 4.465 -0.141 1.00 0.00 C ATOM 0 H VAL A 89 -6.165 1.964 1.742 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.511 1.942 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.149 3.883 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.049 5.304 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.163 3.770 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.774 3.955 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.910 5.537 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.782 4.215 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.572 4.188 0.806 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.122 1.025 -1.448 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.724 0.633 -1.613 1.00 0.00 C ATOM 1336 C ARG A 90 -2.138 1.572 -2.636 1.00 0.00 C ATOM 1337 O ARG A 90 -2.839 1.938 -3.578 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.589 -0.803 -2.138 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.010 -1.869 -1.126 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.662 -3.260 -1.653 1.00 0.00 C ATOM 1341 NE ARG A 90 -1.461 -3.820 -1.003 1.00 0.00 N ATOM 1342 CZ ARG A 90 -1.201 -5.124 -0.855 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -1.999 -6.042 -1.393 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -0.122 -5.488 -0.172 1.00 0.00 N ATOM 0 H ARG A 90 -4.664 0.979 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.215 0.680 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.194 -0.910 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.553 -0.979 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.508 -1.696 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.082 -1.800 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.506 -3.930 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.499 -3.208 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.774 -3.160 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.820 -5.755 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.790 -7.033 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.491 -4.778 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.093 -6.477 -0.048 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.859 1.897 -2.519 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.139 2.480 -3.632 1.00 0.00 C ATOM 1360 C ALA A 91 0.373 1.317 -4.476 1.00 0.00 C ATOM 1361 O ALA A 91 0.484 0.185 -4.003 1.00 0.00 O ATOM 1362 CB ALA A 91 1.011 3.343 -3.113 1.00 0.00 C ATOM 0 H ALA A 91 -0.306 1.767 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.777 3.129 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.548 3.778 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.613 4.140 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.693 2.727 -2.527 1.00 0.00 H new ATOM 1368 N ILE A 92 0.672 1.608 -5.731 1.00 0.00 N ATOM 1369 CA ILE A 92 1.260 0.707 -6.706 1.00 0.00 C ATOM 1370 C ILE A 92 2.563 1.328 -7.175 1.00 0.00 C ATOM 1371 O ILE A 92 2.694 2.554 -7.229 1.00 0.00 O ATOM 1372 CB ILE A 92 0.233 0.435 -7.836 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.521 -0.842 -7.442 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.811 0.349 -9.253 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.524 -1.332 -8.481 1.00 0.00 C ATOM 0 H ILE A 92 0.500 2.536 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 92 1.499 -0.271 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.430 1.297 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.204 -1.634 -7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.047 -0.663 -6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.007 0.156 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.299 1.290 -9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.539 -0.461 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.010 -2.238 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.276 -0.561 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.005 -1.547 -9.415 1.00 0.00 H new ATOM 1387 N ASN A 93 3.498 0.467 -7.555 1.00 0.00 N ATOM 1388 CA ASN A 93 4.845 0.779 -8.027 1.00 0.00 C ATOM 1389 C ASN A 93 5.252 -0.330 -9.022 1.00 0.00 C ATOM 1390 O ASN A 93 4.481 -1.281 -9.196 1.00 0.00 O ATOM 1391 CB ASN A 93 5.755 0.987 -6.792 1.00 0.00 C ATOM 1392 CG ASN A 93 6.939 0.051 -6.612 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.849 -1.148 -6.805 1.00 0.00 O ATOM 1394 ND2 ASN A 93 8.082 0.567 -6.203 1.00 0.00 N ATOM 0 H ASN A 93 3.325 -0.538 -7.541 1.00 0.00 H new ATOM 0 HA ASN A 93 4.928 1.712 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.138 2.007 -6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.131 0.912 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.889 -0.038 -6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.159 1.571 -6.041 1.00 0.00 H new ATOM 1401 N PRO A 94 6.384 -0.232 -9.743 1.00 0.00 N ATOM 1402 CA PRO A 94 6.761 -1.217 -10.761 1.00 0.00 C ATOM 1403 C PRO A 94 6.933 -2.654 -10.242 1.00 0.00 C ATOM 1404 O PRO A 94 6.835 -3.604 -11.016 1.00 0.00 O ATOM 1405 CB PRO A 94 8.080 -0.709 -11.353 1.00 0.00 C ATOM 1406 CG PRO A 94 8.040 0.796 -11.100 1.00 0.00 C ATOM 1407 CD PRO A 94 7.283 0.911 -9.782 1.00 0.00 C ATOM 0 HA PRO A 94 5.954 -1.295 -11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.940 -1.173 -10.870 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.153 -0.934 -12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.042 1.218 -11.026 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.530 1.326 -11.904 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.968 0.899 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.728 1.848 -9.730 1.00 0.00 H new ATOM 1415 N GLN A 95 7.215 -2.836 -8.954 1.00 0.00 N ATOM 1416 CA GLN A 95 7.597 -4.100 -8.341 1.00 0.00 C ATOM 1417 C GLN A 95 6.440 -4.666 -7.524 1.00 0.00 C ATOM 1418 O GLN A 95 6.138 -5.860 -7.621 1.00 0.00 O ATOM 1419 CB GLN A 95 8.834 -3.892 -7.443 1.00 0.00 C ATOM 1420 CG GLN A 95 10.026 -3.269 -8.187 1.00 0.00 C ATOM 1421 CD GLN A 95 10.550 -4.109 -9.349 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.502 -5.338 -9.343 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.044 -3.458 -10.388 1.00 0.00 N ATOM 0 H GLN A 95 7.181 -2.070 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 95 7.844 -4.813 -9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.562 -3.251 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.137 -4.852 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.732 -2.290 -8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.837 -3.106 -7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.079 -2.439 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.390 -3.975 -11.196 1.00 0.00 H new ATOM 1432 N GLY A 96 5.792 -3.832 -6.715 1.00 0.00 N ATOM 1433 CA GLY A 96 4.822 -4.275 -5.742 1.00 0.00 C ATOM 1434 C GLY A 96 3.869 -3.171 -5.341 1.00 0.00 C ATOM 1435 O GLY A 96 3.990 -2.008 -5.737 1.00 0.00 O ATOM 0 H GLY A 96 5.933 -2.822 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.255 -5.111 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.340 -4.644 -4.857 1.00 0.00 H new ATOM 1439 N LEU A 97 2.898 -3.573 -4.530 1.00 0.00 N ATOM 1440 CA LEU A 97 1.971 -2.664 -3.887 1.00 0.00 C ATOM 1441 C LEU A 97 2.637 -2.161 -2.608 1.00 0.00 C ATOM 1442 O LEU A 97 3.604 -2.760 -2.129 1.00 0.00 O ATOM 1443 CB LEU A 97 0.661 -3.398 -3.564 1.00 0.00 C ATOM 1444 CG LEU A 97 0.028 -4.060 -4.811 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.039 -5.588 -4.675 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.408 -3.601 -5.057 1.00 0.00 C ATOM 0 H LEU A 97 2.734 -4.553 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 97 1.730 -1.825 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.853 -4.161 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.049 -2.693 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 97 0.635 -3.750 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.410 -6.035 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.067 -5.937 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.532 -5.879 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.802 -4.097 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.024 -3.856 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.424 -2.522 -5.208 1.00 0.00 H new ATOM 1458 N SER A 98 2.092 -1.117 -1.993 1.00 0.00 N ATOM 1459 CA SER A 98 2.537 -0.721 -0.669 1.00 0.00 C ATOM 1460 C SER A 98 2.038 -1.736 0.367 1.00 0.00 C ATOM 1461 O SER A 98 1.118 -2.535 0.121 1.00 0.00 O ATOM 1462 CB SER A 98 2.070 0.711 -0.361 1.00 0.00 C ATOM 1463 OG SER A 98 0.656 0.819 -0.275 1.00 0.00 O ATOM 0 H SER A 98 1.350 -0.538 -2.387 1.00 0.00 H new ATOM 0 HA SER A 98 3.626 -0.717 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.513 1.039 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.435 1.383 -1.138 1.00 0.00 H new ATOM 0 HG SER A 98 0.348 0.425 0.568 1.00 0.00 H new ATOM 1469 N ASP A 99 2.613 -1.646 1.567 1.00 0.00 N ATOM 1470 CA ASP A 99 1.936 -2.055 2.793 1.00 0.00 C ATOM 1471 C ASP A 99 0.569 -1.353 2.873 1.00 0.00 C ATOM 1472 O ASP A 99 0.351 -0.339 2.190 1.00 0.00 O ATOM 1473 CB ASP A 99 2.821 -1.739 4.016 1.00 0.00 C ATOM 1474 CG ASP A 99 3.621 -2.969 4.439 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.053 -3.855 5.120 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.802 -3.102 4.049 1.00 0.00 O ATOM 0 H ASP A 99 3.557 -1.289 1.714 1.00 0.00 H new ATOM 0 HA ASP A 99 1.765 -3.132 2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.501 -0.922 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.198 -1.403 4.844 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.378 -1.869 3.671 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.730 -1.339 3.670 1.00 0.00 C ATOM 1483 C PRO A 100 -1.778 0.055 4.300 1.00 0.00 C ATOM 1484 O PRO A 100 -1.023 0.359 5.232 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.570 -2.361 4.446 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.556 -3.003 5.390 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.284 -3.031 4.546 1.00 0.00 C ATOM 0 HA PRO A 100 -2.117 -1.206 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.382 -1.882 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.023 -3.097 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.425 -2.419 6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.863 -4.004 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.606 -2.980 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.215 -3.953 3.969 1.00 0.00 H new ATOM 1495 N SER A 101 -2.697 0.897 3.821 1.00 0.00 N ATOM 1496 CA SER A 101 -3.151 2.051 4.578 1.00 0.00 C ATOM 1497 C SER A 101 -3.826 1.582 5.877 1.00 0.00 C ATOM 1498 O SER A 101 -4.236 0.421 5.980 1.00 0.00 O ATOM 1499 CB SER A 101 -4.132 2.860 3.711 1.00 0.00 C ATOM 1500 OG SER A 101 -5.360 2.182 3.484 1.00 0.00 O ATOM 0 H SER A 101 -3.139 0.795 2.907 1.00 0.00 H new ATOM 0 HA SER A 101 -2.305 2.686 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.335 3.815 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.663 3.082 2.752 1.00 0.00 H new ATOM 0 HG SER A 101 -5.926 2.254 4.281 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.083 2.493 6.826 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.182 2.321 7.766 1.00 0.00 C ATOM 1508 C PRO A 102 -6.484 2.059 6.998 1.00 0.00 C ATOM 1509 O PRO A 102 -6.665 2.598 5.896 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.267 3.658 8.508 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.866 4.240 8.367 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.511 3.821 6.949 1.00 0.00 C ATOM 0 HA PRO A 102 -5.029 1.481 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.019 4.313 8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.539 3.519 9.554 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.856 5.323 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.174 3.829 9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.930 4.507 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.432 3.808 6.794 1.00 0.00 H new ATOM 1520 N MET A 103 -7.424 1.313 7.584 1.00 0.00 N ATOM 1521 CA MET A 103 -8.775 1.271 7.036 1.00 0.00 C ATOM 1522 C MET A 103 -9.455 2.623 7.242 1.00 0.00 C ATOM 1523 O MET A 103 -9.160 3.342 8.203 1.00 0.00 O ATOM 1524 CB MET A 103 -9.618 0.147 7.657 1.00 0.00 C ATOM 1525 CG MET A 103 -9.017 -1.238 7.403 1.00 0.00 C ATOM 1526 SD MET A 103 -8.165 -1.968 8.822 1.00 0.00 S ATOM 1527 CE MET A 103 -9.477 -3.067 9.407 1.00 0.00 C ATOM 0 H MET A 103 -7.277 0.744 8.418 1.00 0.00 H new ATOM 0 HA MET A 103 -8.696 1.059 5.970 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.704 0.312 8.731 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.627 0.184 7.247 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.814 -1.912 7.089 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.314 -1.167 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.132 -3.609 10.288 1.00 0.00 H new ATOM 0 HE2 MET A 103 -10.357 -2.478 9.665 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.733 -3.778 8.621 1.00 0.00 H new ATOM 1537 N SER A 104 -10.431 2.923 6.387 1.00 0.00 N ATOM 1538 CA SER A 104 -11.246 4.137 6.354 1.00 0.00 C ATOM 1539 C SER A 104 -12.071 4.398 7.610 1.00 0.00 C ATOM 1540 O SER A 104 -12.685 5.461 7.698 1.00 0.00 O ATOM 1541 CB SER A 104 -12.229 3.968 5.185 1.00 0.00 C ATOM 1542 OG SER A 104 -12.976 2.763 5.338 1.00 0.00 O ATOM 0 H SER A 104 -10.693 2.276 5.643 1.00 0.00 H new ATOM 0 HA SER A 104 -10.562 4.981 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.906 4.821 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.683 3.949 4.242 1.00 0.00 H new ATOM 0 HG SER A 104 -13.593 2.854 6.094 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.101 3.445 8.542 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.137 3.223 9.551 1.00 0.00 C ATOM 1550 C ASP A 105 -14.366 2.577 8.881 1.00 0.00 C ATOM 1551 O ASP A 105 -14.532 2.726 7.664 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.476 4.520 10.306 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.709 4.319 11.792 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.842 3.710 12.462 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.720 4.853 12.300 1.00 0.00 O ATOM 0 H ASP A 105 -11.349 2.760 8.617 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.766 2.534 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.663 5.233 10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.368 4.964 9.864 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.200 1.809 9.610 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.348 1.121 9.037 1.00 0.00 C ATOM 1562 C PRO A 106 -17.468 2.134 8.829 1.00 0.00 C ATOM 1563 O PRO A 106 -18.062 2.617 9.801 1.00 0.00 O ATOM 1564 CB PRO A 106 -16.727 0.009 10.014 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.200 0.512 11.353 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.079 1.490 11.020 1.00 0.00 C ATOM 0 HA PRO A 106 -16.137 0.677 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -17.805 -0.150 10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.272 -0.941 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.989 1.002 11.924 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.831 -0.313 11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.160 2.391 11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.106 1.048 11.233 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.731 2.467 7.571 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.633 3.532 7.173 1.00 0.00 C ATOM 1576 C VAL A 107 -19.887 2.926 6.584 1.00 0.00 C ATOM 1577 O VAL A 107 -19.826 1.997 5.775 1.00 0.00 O ATOM 1578 CB VAL A 107 -17.924 4.500 6.210 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.014 5.371 7.077 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.154 3.828 5.064 1.00 0.00 C ATOM 0 H VAL A 107 -17.307 1.986 6.778 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.929 4.123 8.040 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.675 5.088 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.481 6.082 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.616 5.913 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.295 4.739 7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.689 4.592 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.383 3.178 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.843 3.237 4.461 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.040 3.426 7.018 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.318 2.917 6.549 1.00 0.00 C ATOM 1592 C ARG A 108 -22.756 3.748 5.367 1.00 0.00 C ATOM 1593 O ARG A 108 -22.741 4.982 5.438 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.356 3.006 7.666 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.495 1.985 7.512 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.693 2.564 8.251 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.592 1.567 8.840 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.462 0.945 10.019 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.338 0.998 10.732 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.511 0.282 10.487 1.00 0.00 N ATOM 0 H ARG A 108 -21.112 4.185 7.695 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.220 1.872 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.863 2.850 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.777 4.011 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.730 1.820 6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.210 1.019 7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.331 3.220 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.264 3.184 7.560 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.412 1.318 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.538 1.526 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -25.278 0.511 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.379 0.258 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -27.449 -0.204 11.382 1.00 0.00 H new ATOM 1614 N THR A 109 -23.229 3.095 4.322 1.00 0.00 N ATOM 1615 CA THR A 109 -23.969 3.794 3.296 1.00 0.00 C ATOM 1616 C THR A 109 -25.249 4.357 3.898 1.00 0.00 C ATOM 1617 O THR A 109 -25.780 3.854 4.893 1.00 0.00 O ATOM 1618 CB THR A 109 -24.225 2.856 2.111 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.708 1.606 2.557 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.950 2.616 1.297 1.00 0.00 C ATOM 0 H THR A 109 -23.115 2.094 4.165 1.00 0.00 H new ATOM 0 HA THR A 109 -23.394 4.636 2.911 1.00 0.00 H new ATOM 0 HB THR A 109 -24.969 3.342 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.346 0.894 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.170 1.947 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.581 3.566 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.190 2.164 1.935 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.731 5.422 3.266 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.082 5.907 3.434 1.00 0.00 C ATOM 1630 C GLN A 110 -28.066 4.829 3.066 1.00 0.00 C ATOM 1631 O GLN A 110 -27.748 3.775 2.496 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.295 7.120 2.521 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.602 8.339 3.092 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.259 9.665 2.689 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.431 9.902 2.990 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.565 10.563 2.010 1.00 0.00 N ATOM 0 H GLN A 110 -25.178 5.977 2.613 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.237 6.191 4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -26.907 6.906 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.361 7.318 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.591 8.264 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.563 8.343 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.595 10.374 1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -27.000 11.445 1.739 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.295 5.178 3.375 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.407 4.387 2.888 1.00 0.00 C ATOM 1647 C ASP A 111 -30.625 4.737 1.429 1.00 0.00 C ATOM 1648 O ASP A 111 -30.424 5.861 0.981 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.692 4.567 3.701 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.819 3.647 3.172 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -32.531 2.534 2.664 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.994 4.086 3.168 1.00 0.00 O ATOM 0 H ASP A 111 -29.548 5.984 3.947 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.153 3.333 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.497 4.342 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.014 5.607 3.652 1.00 0.00 H new ATOM 1657 N SER A 112 -31.107 3.751 0.702 1.00 0.00 N ATOM 1658 CA SER A 112 -31.659 3.787 -0.628 1.00 0.00 C ATOM 1659 C SER A 112 -32.872 4.717 -0.815 1.00 0.00 C ATOM 1660 O SER A 112 -33.603 4.563 -1.798 1.00 0.00 O ATOM 1661 CB SER A 112 -31.990 2.340 -0.958 1.00 0.00 C ATOM 1662 OG SER A 112 -32.672 1.615 0.069 1.00 0.00 O ATOM 0 H SER A 112 -31.121 2.801 1.074 1.00 0.00 H new ATOM 0 HA SER A 112 -30.931 4.223 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 112 -32.603 2.322 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.062 1.818 -1.193 1.00 0.00 H new ATOM 0 HG SER A 112 -32.666 2.138 0.898 1.00 0.00 H new ATOM 1668 N GLY A 113 -33.140 5.643 0.103 1.00 0.00 N ATOM 1669 CA GLY A 113 -34.276 6.537 0.014 1.00 0.00 C ATOM 1670 C GLY A 113 -34.111 7.510 -1.151 1.00 0.00 C ATOM 1671 O GLY A 113 -32.986 7.923 -1.439 1.00 0.00 O ATOM 0 H GLY A 113 -32.566 5.789 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -35.190 5.958 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -34.381 7.093 0.946 1.00 0.00 H new ATOM 1675 N PRO A 114 -35.204 7.924 -1.812 1.00 0.00 N ATOM 1676 CA PRO A 114 -35.191 9.138 -2.607 1.00 0.00 C ATOM 1677 C PRO A 114 -35.056 10.318 -1.640 1.00 0.00 C ATOM 1678 O PRO A 114 -35.685 10.323 -0.573 1.00 0.00 O ATOM 1679 CB PRO A 114 -36.518 9.139 -3.367 1.00 0.00 C ATOM 1680 CG PRO A 114 -37.464 8.374 -2.440 1.00 0.00 C ATOM 1681 CD PRO A 114 -36.551 7.382 -1.715 1.00 0.00 C ATOM 0 HA PRO A 114 -34.368 9.206 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -36.872 10.153 -3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -36.425 8.650 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -37.963 9.043 -1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -38.245 7.861 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -36.850 7.267 -0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -36.607 6.395 -2.173 1.00 0.00 H new ATOM 1689 N SER A 115 -34.256 11.310 -2.009 1.00 0.00 N ATOM 1690 CA SER A 115 -33.918 12.470 -1.197 1.00 0.00 C ATOM 1691 C SER A 115 -33.682 13.671 -2.120 1.00 0.00 C ATOM 1692 O SER A 115 -33.730 13.540 -3.349 1.00 0.00 O ATOM 1693 CB SER A 115 -32.693 12.130 -0.331 1.00 0.00 C ATOM 1694 OG SER A 115 -31.696 11.483 -1.096 1.00 0.00 O ATOM 0 H SER A 115 -33.805 11.328 -2.924 1.00 0.00 H new ATOM 0 HA SER A 115 -34.731 12.735 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.287 13.043 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.995 11.488 0.497 1.00 0.00 H new ATOM 0 HG SER A 115 -30.927 11.278 -0.525 1.00 0.00 H new ATOM 1700 N SER A 116 -33.442 14.849 -1.546 1.00 0.00 N ATOM 1701 CA SER A 116 -33.186 16.084 -2.268 1.00 0.00 C ATOM 1702 C SER A 116 -32.215 16.935 -1.444 1.00 0.00 C ATOM 1703 O SER A 116 -31.581 16.432 -0.513 1.00 0.00 O ATOM 1704 CB SER A 116 -34.517 16.788 -2.569 1.00 0.00 C ATOM 1705 OG SER A 116 -34.452 17.495 -3.794 1.00 0.00 O ATOM 0 H SER A 116 -33.421 14.969 -0.533 1.00 0.00 H new ATOM 0 HA SER A 116 -32.715 15.895 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 116 -35.320 16.052 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 116 -34.759 17.477 -1.760 1.00 0.00 H new ATOM 0 HG SER A 116 -35.312 17.933 -3.965 1.00 0.00 H new ATOM 1711 N GLY A 117 -32.040 18.201 -1.818 1.00 0.00 N ATOM 1712 CA GLY A 117 -31.297 19.180 -1.044 1.00 0.00 C ATOM 1713 C GLY A 117 -32.206 20.358 -0.851 1.00 0.00 C ATOM 1714 O GLY A 117 -32.210 21.226 -1.746 1.00 0.00 O ATOM 0 H GLY A 117 -32.421 18.578 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -30.993 18.764 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -30.387 19.475 -1.565 1.00 0.00 H new TER 1718 GLY A 117