USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 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 X(o=0,f=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00607 USER MOD Single : A 3 SER OG : rot 9:sc= 1.1 USER MOD Single : A 5 SER OG : rot 9:sc= 0.707 USER MOD Single : A 6 SER OG : rot 56:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc=-0.00177 (180deg=-0.0998) USER MOD Single : A 9 ASN : amide:sc= 0.502 K(o=0.5,f=0) 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 80:sc= 0.949 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0279) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 12:sc= 0.311 USER MOD Single : A 30 ASN : amide:sc= 0.289 X(o=0.29,f=-0.00038) USER MOD Single : A 31 SER OG : rot 170:sc= -0.185 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 104:sc= 0.997 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 81:sc= 1.27 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.99) USER MOD Single : A 61 SER OG : rot 89:sc= 0.342 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.2) USER MOD Single : A 83 THR OG1 : rot 68:sc= 1.19 USER MOD Single : A 85 TYR OH : rot 30:sc= 0.578 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0963 K(o=-0.096,f=-12!) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 98 SER OG : rot 75:sc= 1.99 USER MOD Single : A 101 SER OG : rot -91:sc= 1.73 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 74:sc= 1.34 USER MOD Single : A 109 THR OG1 : rot -149:sc= 1.85 USER MOD Single : A 110 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.83) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -54:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.294 6.669 12.932 1.00 0.00 N ATOM 2 CA GLY A 1 41.052 5.976 11.877 1.00 0.00 C ATOM 3 C GLY A 1 40.053 5.283 10.976 1.00 0.00 C ATOM 4 O GLY A 1 39.057 4.787 11.494 1.00 0.00 O ATOM 0 H1 GLY A 1 40.713 6.454 13.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 40.328 7.695 12.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.305 6.348 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.653 6.686 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.741 5.252 12.313 1.00 0.00 H new ATOM 8 N SER A 2 40.273 5.305 9.658 1.00 0.00 N ATOM 9 CA SER A 2 39.186 5.283 8.680 1.00 0.00 C ATOM 10 C SER A 2 38.234 6.475 8.909 1.00 0.00 C ATOM 11 O SER A 2 38.468 7.309 9.795 1.00 0.00 O ATOM 12 CB SER A 2 38.483 3.914 8.666 1.00 0.00 C ATOM 13 OG SER A 2 37.863 3.721 7.413 1.00 0.00 O ATOM 0 H SER A 2 41.204 5.338 9.243 1.00 0.00 H new ATOM 0 HA SER A 2 39.596 5.409 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 39.205 3.119 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.741 3.865 9.463 1.00 0.00 H new ATOM 0 HG SER A 2 37.416 2.849 7.400 1.00 0.00 H new ATOM 19 N SER A 3 37.218 6.606 8.059 1.00 0.00 N ATOM 20 CA SER A 3 36.159 7.613 8.055 1.00 0.00 C ATOM 21 C SER A 3 35.038 7.108 7.131 1.00 0.00 C ATOM 22 O SER A 3 35.175 6.042 6.528 1.00 0.00 O ATOM 23 CB SER A 3 36.720 8.956 7.557 1.00 0.00 C ATOM 24 OG SER A 3 37.609 9.504 8.510 1.00 0.00 O ATOM 0 H SER A 3 37.105 5.951 7.286 1.00 0.00 H new ATOM 0 HA SER A 3 35.766 7.770 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.238 8.812 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.902 9.652 7.371 1.00 0.00 H new ATOM 0 HG SER A 3 37.781 8.844 9.214 1.00 0.00 H new ATOM 30 N GLY A 4 33.946 7.867 6.997 1.00 0.00 N ATOM 31 CA GLY A 4 32.776 7.444 6.234 1.00 0.00 C ATOM 32 C GLY A 4 31.884 6.545 7.088 1.00 0.00 C ATOM 33 O GLY A 4 32.086 6.421 8.298 1.00 0.00 O ATOM 0 H GLY A 4 33.852 8.792 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.214 8.317 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.091 6.910 5.338 1.00 0.00 H new ATOM 37 N SER A 5 30.850 5.954 6.492 1.00 0.00 N ATOM 38 CA SER A 5 29.967 5.000 7.150 1.00 0.00 C ATOM 39 C SER A 5 29.371 4.081 6.085 1.00 0.00 C ATOM 40 O SER A 5 29.093 4.529 4.973 1.00 0.00 O ATOM 41 CB SER A 5 28.863 5.756 7.899 1.00 0.00 C ATOM 42 OG SER A 5 29.413 6.514 8.960 1.00 0.00 O ATOM 0 H SER A 5 30.600 6.130 5.519 1.00 0.00 H new ATOM 0 HA SER A 5 30.520 4.401 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.333 6.414 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.131 5.049 8.290 1.00 0.00 H new ATOM 0 HG SER A 5 30.391 6.500 8.900 1.00 0.00 H new ATOM 48 N SER A 6 29.208 2.799 6.413 1.00 0.00 N ATOM 49 CA SER A 6 28.611 1.716 5.632 1.00 0.00 C ATOM 50 C SER A 6 28.601 0.476 6.542 1.00 0.00 C ATOM 51 O SER A 6 29.142 0.523 7.650 1.00 0.00 O ATOM 52 CB SER A 6 29.448 1.442 4.369 1.00 0.00 C ATOM 53 OG SER A 6 29.210 2.417 3.377 1.00 0.00 O ATOM 0 H SER A 6 29.522 2.460 7.322 1.00 0.00 H new ATOM 0 HA SER A 6 27.604 1.976 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.507 1.433 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.207 0.454 3.977 1.00 0.00 H new ATOM 0 HG SER A 6 29.385 3.308 3.745 1.00 0.00 H new ATOM 59 N GLY A 7 28.038 -0.648 6.089 1.00 0.00 N ATOM 60 CA GLY A 7 28.222 -1.948 6.730 1.00 0.00 C ATOM 61 C GLY A 7 26.931 -2.748 6.734 1.00 0.00 C ATOM 62 O GLY A 7 26.830 -3.766 6.055 1.00 0.00 O ATOM 0 H GLY A 7 27.440 -0.679 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.998 -2.507 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.567 -1.806 7.754 1.00 0.00 H new ATOM 66 N LYS A 8 25.940 -2.308 7.509 1.00 0.00 N ATOM 67 CA LYS A 8 24.545 -2.687 7.285 1.00 0.00 C ATOM 68 C LYS A 8 23.928 -1.590 6.416 1.00 0.00 C ATOM 69 O LYS A 8 24.515 -0.516 6.276 1.00 0.00 O ATOM 70 CB LYS A 8 23.796 -2.827 8.624 1.00 0.00 C ATOM 71 CG LYS A 8 23.833 -4.236 9.242 1.00 0.00 C ATOM 72 CD LYS A 8 25.215 -4.739 9.697 1.00 0.00 C ATOM 73 CE LYS A 8 25.958 -5.573 8.641 1.00 0.00 C ATOM 74 NZ LYS A 8 25.314 -6.880 8.388 1.00 0.00 N ATOM 0 H LYS A 8 26.079 -1.684 8.304 1.00 0.00 H new ATOM 0 HA LYS A 8 24.475 -3.655 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.222 -2.122 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.756 -2.539 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.162 -4.252 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.434 -4.941 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.831 -3.881 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.093 -5.339 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.007 -5.010 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.984 -5.736 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.967 -7.492 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.075 -7.330 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.446 -6.738 7.832 1.00 0.00 H new ATOM 88 N ASN A 9 22.739 -1.844 5.874 1.00 0.00 N ATOM 89 CA ASN A 9 21.966 -0.890 5.091 1.00 0.00 C ATOM 90 C ASN A 9 20.559 -0.886 5.677 1.00 0.00 C ATOM 91 O ASN A 9 19.803 -1.834 5.467 1.00 0.00 O ATOM 92 CB ASN A 9 21.986 -1.267 3.605 1.00 0.00 C ATOM 93 CG ASN A 9 21.138 -0.294 2.802 1.00 0.00 C ATOM 94 OD1 ASN A 9 21.642 0.704 2.308 1.00 0.00 O ATOM 95 ND2 ASN A 9 19.856 -0.552 2.634 1.00 0.00 N ATOM 0 H ASN A 9 22.275 -2.747 5.972 1.00 0.00 H new ATOM 0 HA ASN A 9 22.389 0.113 5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 9 23.011 -1.258 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.609 -2.281 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.275 0.084 2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.445 -1.388 3.050 1.00 0.00 H new ATOM 102 N TYR A 10 20.260 0.124 6.494 1.00 0.00 N ATOM 103 CA TYR A 10 19.128 0.146 7.423 1.00 0.00 C ATOM 104 C TYR A 10 17.860 0.762 6.822 1.00 0.00 C ATOM 105 O TYR A 10 17.021 1.297 7.547 1.00 0.00 O ATOM 106 CB TYR A 10 19.560 0.816 8.742 1.00 0.00 C ATOM 107 CG TYR A 10 19.429 -0.135 9.912 1.00 0.00 C ATOM 108 CD1 TYR A 10 18.152 -0.516 10.368 1.00 0.00 C ATOM 109 CD2 TYR A 10 20.581 -0.702 10.489 1.00 0.00 C ATOM 110 CE1 TYR A 10 18.025 -1.477 11.386 1.00 0.00 C ATOM 111 CE2 TYR A 10 20.460 -1.660 11.508 1.00 0.00 C ATOM 112 CZ TYR A 10 19.181 -2.058 11.955 1.00 0.00 C ATOM 113 OH TYR A 10 19.057 -3.007 12.920 1.00 0.00 O ATOM 0 H TYR A 10 20.817 0.978 6.529 1.00 0.00 H new ATOM 0 HA TYR A 10 18.845 -0.885 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.593 1.154 8.659 1.00 0.00 H new ATOM 0 HB3 TYR A 10 18.949 1.701 8.920 1.00 0.00 H new ATOM 0 HD1 TYR A 10 17.269 -0.069 9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 10 21.560 -0.399 10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 10 17.045 -1.771 11.733 1.00 0.00 H new ATOM 0 HE2 TYR A 10 21.345 -2.093 11.950 1.00 0.00 H new ATOM 0 HH TYR A 10 19.947 -3.304 13.203 1.00 0.00 H new ATOM 123 N ASP A 11 17.738 0.696 5.500 1.00 0.00 N ATOM 124 CA ASP A 11 16.644 1.262 4.714 1.00 0.00 C ATOM 125 C ASP A 11 15.277 0.732 5.140 1.00 0.00 C ATOM 126 O ASP A 11 15.172 -0.266 5.857 1.00 0.00 O ATOM 127 CB ASP A 11 16.875 0.942 3.233 1.00 0.00 C ATOM 128 CG ASP A 11 17.790 1.927 2.509 1.00 0.00 C ATOM 129 OD1 ASP A 11 17.938 3.093 2.949 1.00 0.00 O ATOM 130 OD2 ASP A 11 18.355 1.526 1.466 1.00 0.00 O ATOM 0 H ASP A 11 18.431 0.224 4.919 1.00 0.00 H new ATOM 0 HA ASP A 11 16.639 2.339 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.302 -0.058 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.911 0.919 2.724 1.00 0.00 H new ATOM 135 N LEU A 12 14.216 1.396 4.676 1.00 0.00 N ATOM 136 CA LEU A 12 12.838 0.988 4.908 1.00 0.00 C ATOM 137 C LEU A 12 12.470 -0.138 3.938 1.00 0.00 C ATOM 138 O LEU A 12 12.917 -1.280 4.071 1.00 0.00 O ATOM 139 CB LEU A 12 11.885 2.201 4.838 1.00 0.00 C ATOM 140 CG LEU A 12 12.167 3.247 5.935 1.00 0.00 C ATOM 141 CD1 LEU A 12 12.906 4.457 5.354 1.00 0.00 C ATOM 142 CD2 LEU A 12 10.858 3.706 6.581 1.00 0.00 C ATOM 0 H LEU A 12 14.297 2.247 4.119 1.00 0.00 H new ATOM 0 HA LEU A 12 12.731 0.590 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.977 2.673 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.856 1.854 4.929 1.00 0.00 H new ATOM 0 HG LEU A 12 12.797 2.781 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.095 5.182 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.854 4.133 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.295 4.918 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.073 4.444 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.214 4.151 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.353 2.850 7.028 1.00 0.00 H new ATOM 154 N SER A 13 11.670 0.188 2.932 1.00 0.00 N ATOM 155 CA SER A 13 11.179 -0.703 1.898 1.00 0.00 C ATOM 156 C SER A 13 11.372 -0.003 0.551 1.00 0.00 C ATOM 157 O SER A 13 11.272 1.229 0.464 1.00 0.00 O ATOM 158 CB SER A 13 9.699 -1.025 2.202 1.00 0.00 C ATOM 159 OG SER A 13 9.403 -2.395 1.992 1.00 0.00 O ATOM 0 H SER A 13 11.327 1.141 2.812 1.00 0.00 H new ATOM 0 HA SER A 13 11.720 -1.649 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.474 -0.759 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.057 -0.413 1.568 1.00 0.00 H new ATOM 0 HG SER A 13 8.459 -2.561 2.196 1.00 0.00 H new ATOM 165 N ASP A 14 11.599 -0.785 -0.506 1.00 0.00 N ATOM 166 CA ASP A 14 11.732 -0.329 -1.897 1.00 0.00 C ATOM 167 C ASP A 14 10.416 0.267 -2.409 1.00 0.00 C ATOM 168 O ASP A 14 10.382 0.964 -3.427 1.00 0.00 O ATOM 169 CB ASP A 14 12.069 -1.488 -2.859 1.00 0.00 C ATOM 170 CG ASP A 14 13.066 -2.521 -2.344 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.723 -3.202 -1.349 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.107 -2.774 -2.997 1.00 0.00 O ATOM 0 H ASP A 14 11.700 -1.796 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 14 12.534 0.409 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.143 -2.003 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.462 -1.063 -3.783 1.00 0.00 H new ATOM 177 N LEU A 15 9.324 -0.076 -1.727 1.00 0.00 N ATOM 178 CA LEU A 15 7.948 0.230 -2.051 1.00 0.00 C ATOM 179 C LEU A 15 7.617 1.676 -1.661 1.00 0.00 C ATOM 180 O LEU A 15 8.346 2.271 -0.856 1.00 0.00 O ATOM 181 CB LEU A 15 7.073 -0.787 -1.294 1.00 0.00 C ATOM 182 CG LEU A 15 7.265 -2.238 -1.783 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.530 -3.198 -0.852 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.771 -2.435 -3.219 1.00 0.00 C ATOM 0 H LEU A 15 9.394 -0.618 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 15 7.763 0.152 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.305 -0.735 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.025 -0.509 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 15 8.334 -2.448 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.668 -4.221 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.929 -3.102 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.467 -2.957 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.927 -3.471 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.709 -2.197 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.325 -1.777 -3.888 1.00 0.00 H new ATOM 196 N PRO A 16 6.524 2.256 -2.192 1.00 0.00 N ATOM 197 CA PRO A 16 6.049 3.560 -1.759 1.00 0.00 C ATOM 198 C PRO A 16 5.695 3.489 -0.277 1.00 0.00 C ATOM 199 O PRO A 16 5.238 2.443 0.197 1.00 0.00 O ATOM 200 CB PRO A 16 4.790 3.877 -2.581 1.00 0.00 C ATOM 201 CG PRO A 16 4.695 2.769 -3.629 1.00 0.00 C ATOM 202 CD PRO A 16 5.551 1.636 -3.066 1.00 0.00 C ATOM 0 HA PRO A 16 6.806 4.330 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.903 3.895 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.866 4.857 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.663 2.451 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.068 3.105 -4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.937 0.920 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.044 1.086 -3.868 1.00 0.00 H new ATOM 210 N GLY A 17 5.825 4.607 0.428 1.00 0.00 N ATOM 211 CA GLY A 17 5.213 4.776 1.728 1.00 0.00 C ATOM 212 C GLY A 17 3.692 4.616 1.600 1.00 0.00 C ATOM 213 O GLY A 17 3.122 4.955 0.553 1.00 0.00 O ATOM 0 H GLY A 17 6.358 5.417 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.610 4.040 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.454 5.760 2.130 1.00 0.00 H new ATOM 217 N PRO A 18 3.013 4.096 2.634 1.00 0.00 N ATOM 218 CA PRO A 18 1.574 3.891 2.590 1.00 0.00 C ATOM 219 C PRO A 18 0.815 5.229 2.602 1.00 0.00 C ATOM 220 O PRO A 18 1.256 6.182 3.259 1.00 0.00 O ATOM 221 CB PRO A 18 1.238 3.042 3.819 1.00 0.00 C ATOM 222 CG PRO A 18 2.422 3.227 4.767 1.00 0.00 C ATOM 223 CD PRO A 18 3.594 3.577 3.861 1.00 0.00 C ATOM 0 HA PRO A 18 1.271 3.392 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.307 3.370 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.108 1.994 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.230 4.020 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.619 2.318 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.241 4.318 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.208 2.699 3.661 1.00 0.00 H new ATOM 231 N PRO A 19 -0.348 5.315 1.930 1.00 0.00 N ATOM 232 CA PRO A 19 -1.252 6.449 2.075 1.00 0.00 C ATOM 233 C PRO A 19 -1.832 6.497 3.496 1.00 0.00 C ATOM 234 O PRO A 19 -1.769 5.518 4.246 1.00 0.00 O ATOM 235 CB PRO A 19 -2.330 6.265 1.000 1.00 0.00 C ATOM 236 CG PRO A 19 -2.269 4.790 0.601 1.00 0.00 C ATOM 237 CD PRO A 19 -0.906 4.289 1.064 1.00 0.00 C ATOM 0 HA PRO A 19 -0.745 7.404 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.316 6.526 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.142 6.911 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.074 4.224 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.383 4.672 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.004 3.344 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.252 4.107 0.211 1.00 0.00 H new ATOM 245 N SER A 20 -2.426 7.632 3.870 1.00 0.00 N ATOM 246 CA SER A 20 -3.057 7.769 5.175 1.00 0.00 C ATOM 247 C SER A 20 -4.296 6.879 5.274 1.00 0.00 C ATOM 248 O SER A 20 -4.840 6.450 4.252 1.00 0.00 O ATOM 249 CB SER A 20 -3.415 9.241 5.410 1.00 0.00 C ATOM 250 OG SER A 20 -4.362 9.714 4.468 1.00 0.00 O ATOM 0 H SER A 20 -2.481 8.466 3.285 1.00 0.00 H new ATOM 0 HA SER A 20 -2.361 7.445 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.815 9.361 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.511 9.848 5.351 1.00 0.00 H new ATOM 0 HG SER A 20 -5.261 9.429 4.736 1.00 0.00 H new ATOM 256 N LYS A 21 -4.852 6.735 6.487 1.00 0.00 N ATOM 257 CA LYS A 21 -6.261 6.380 6.628 1.00 0.00 C ATOM 258 C LYS A 21 -7.067 7.313 5.713 1.00 0.00 C ATOM 259 O LYS A 21 -6.880 8.533 5.837 1.00 0.00 O ATOM 260 CB LYS A 21 -6.728 6.599 8.071 1.00 0.00 C ATOM 261 CG LYS A 21 -8.149 6.056 8.293 1.00 0.00 C ATOM 262 CD LYS A 21 -8.663 6.490 9.664 1.00 0.00 C ATOM 263 CE LYS A 21 -10.061 5.973 9.999 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.604 6.642 11.204 1.00 0.00 N ATOM 0 H LYS A 21 -4.352 6.858 7.367 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.404 5.332 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.038 6.106 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.704 7.663 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.814 6.424 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.147 4.968 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.967 6.143 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.670 7.579 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.727 6.144 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.024 4.896 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.273 6.006 11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.825 6.876 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.096 7.515 10.925 1.00 0.00 H new ATOM 278 N PRO A 22 -7.940 6.817 4.825 1.00 0.00 N ATOM 279 CA PRO A 22 -8.833 7.700 4.106 1.00 0.00 C ATOM 280 C PRO A 22 -9.894 8.267 5.053 1.00 0.00 C ATOM 281 O PRO A 22 -10.416 7.577 5.935 1.00 0.00 O ATOM 282 CB PRO A 22 -9.446 6.872 2.976 1.00 0.00 C ATOM 283 CG PRO A 22 -9.343 5.437 3.493 1.00 0.00 C ATOM 284 CD PRO A 22 -8.127 5.433 4.425 1.00 0.00 C ATOM 0 HA PRO A 22 -8.308 8.561 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.481 7.157 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.901 7.002 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.248 5.144 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.213 4.731 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.299 4.794 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.243 5.049 3.915 1.00 0.00 H new ATOM 292 N GLN A 23 -10.239 9.528 4.832 1.00 0.00 N ATOM 293 CA GLN A 23 -11.427 10.176 5.342 1.00 0.00 C ATOM 294 C GLN A 23 -12.619 9.783 4.490 1.00 0.00 C ATOM 295 O GLN A 23 -12.499 9.358 3.339 1.00 0.00 O ATOM 296 CB GLN A 23 -11.256 11.704 5.296 1.00 0.00 C ATOM 297 CG GLN A 23 -10.463 12.190 6.505 1.00 0.00 C ATOM 298 CD GLN A 23 -11.338 12.359 7.741 1.00 0.00 C ATOM 299 OE1 GLN A 23 -12.059 13.349 7.874 1.00 0.00 O ATOM 300 NE2 GLN A 23 -11.328 11.393 8.647 1.00 0.00 N ATOM 0 H GLN A 23 -9.666 10.152 4.264 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.588 9.863 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.743 11.991 4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.234 12.185 5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.665 11.480 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.988 13.141 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.724 10.581 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.924 11.461 9.472 1.00 0.00 H new ATOM 309 N VAL A 24 -13.767 10.005 5.107 1.00 0.00 N ATOM 310 CA VAL A 24 -15.100 9.698 4.627 1.00 0.00 C ATOM 311 C VAL A 24 -15.840 11.035 4.684 1.00 0.00 C ATOM 312 O VAL A 24 -16.092 11.558 5.775 1.00 0.00 O ATOM 313 CB VAL A 24 -15.684 8.569 5.506 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.163 8.285 5.249 1.00 0.00 C ATOM 315 CG2 VAL A 24 -14.901 7.255 5.312 1.00 0.00 C ATOM 0 H VAL A 24 -13.791 10.439 6.030 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.163 9.312 3.610 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.586 8.934 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.498 7.481 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.746 9.184 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.301 7.988 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.333 6.478 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.958 6.949 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.858 7.409 5.589 1.00 0.00 H new ATOM 325 N THR A 25 -16.051 11.646 3.523 1.00 0.00 N ATOM 326 CA THR A 25 -16.526 13.006 3.353 1.00 0.00 C ATOM 327 C THR A 25 -17.949 13.027 2.785 1.00 0.00 C ATOM 328 O THR A 25 -18.854 13.505 3.475 1.00 0.00 O ATOM 329 CB THR A 25 -15.503 13.772 2.504 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.183 13.051 1.331 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.197 13.975 3.280 1.00 0.00 C ATOM 0 H THR A 25 -15.885 11.178 2.632 1.00 0.00 H new ATOM 0 HA THR A 25 -16.604 13.512 4.315 1.00 0.00 H new ATOM 0 HB THR A 25 -15.954 14.732 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.531 13.558 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.486 14.520 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.398 14.545 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.777 13.005 3.546 1.00 0.00 H new ATOM 339 N ASP A 26 -18.153 12.501 1.573 1.00 0.00 N ATOM 340 CA ASP A 26 -19.428 12.466 0.846 1.00 0.00 C ATOM 341 C ASP A 26 -19.955 11.036 0.747 1.00 0.00 C ATOM 342 O ASP A 26 -19.170 10.143 0.428 1.00 0.00 O ATOM 343 CB ASP A 26 -19.276 13.062 -0.557 1.00 0.00 C ATOM 344 CG ASP A 26 -20.579 13.016 -1.347 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.671 13.199 -0.772 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.538 12.673 -2.553 1.00 0.00 O ATOM 0 H ASP A 26 -17.396 12.066 1.045 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.144 13.068 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.938 14.095 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.504 12.516 -1.100 1.00 0.00 H new ATOM 351 N VAL A 27 -21.248 10.786 0.976 1.00 0.00 N ATOM 352 CA VAL A 27 -21.834 9.449 0.867 1.00 0.00 C ATOM 353 C VAL A 27 -23.246 9.527 0.292 1.00 0.00 C ATOM 354 O VAL A 27 -23.947 10.532 0.443 1.00 0.00 O ATOM 355 CB VAL A 27 -21.744 8.703 2.217 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.644 9.278 3.316 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.083 7.215 2.071 1.00 0.00 C ATOM 0 H VAL A 27 -21.918 11.507 1.243 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.257 8.853 0.160 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.705 8.838 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.520 8.696 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.369 10.315 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.685 9.232 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.008 6.728 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.099 7.109 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.384 6.749 1.376 1.00 0.00 H new ATOM 367 N THR A 28 -23.645 8.470 -0.408 1.00 0.00 N ATOM 368 CA THR A 28 -24.962 8.268 -0.987 1.00 0.00 C ATOM 369 C THR A 28 -25.344 6.795 -0.783 1.00 0.00 C ATOM 370 O THR A 28 -24.675 6.044 -0.066 1.00 0.00 O ATOM 371 CB THR A 28 -24.983 8.712 -2.464 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.817 8.289 -3.145 1.00 0.00 O ATOM 373 CG2 THR A 28 -25.128 10.223 -2.631 1.00 0.00 C ATOM 0 H THR A 28 -23.018 7.687 -0.595 1.00 0.00 H new ATOM 0 HA THR A 28 -25.710 8.887 -0.492 1.00 0.00 H new ATOM 0 HB THR A 28 -25.862 8.235 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.334 7.639 -2.594 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.136 10.473 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 -26.061 10.552 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.290 10.725 -2.147 1.00 0.00 H new ATOM 381 N LYS A 29 -26.472 6.365 -1.339 1.00 0.00 N ATOM 382 CA LYS A 29 -26.990 5.023 -1.151 1.00 0.00 C ATOM 383 C LYS A 29 -26.179 3.974 -1.906 1.00 0.00 C ATOM 384 O LYS A 29 -26.240 2.806 -1.539 1.00 0.00 O ATOM 385 CB LYS A 29 -28.467 5.016 -1.555 1.00 0.00 C ATOM 386 CG LYS A 29 -28.683 5.065 -3.071 1.00 0.00 C ATOM 387 CD LYS A 29 -30.117 5.378 -3.522 1.00 0.00 C ATOM 388 CE LYS A 29 -30.539 4.440 -4.645 1.00 0.00 C ATOM 389 NZ LYS A 29 -31.228 3.220 -4.182 1.00 0.00 N ATOM 0 H LYS A 29 -27.055 6.948 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.900 4.747 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.941 4.119 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.966 5.870 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.016 5.817 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.389 4.105 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.800 5.276 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.181 6.412 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -31.196 4.979 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.656 4.152 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -31.877 2.886 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.525 2.481 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.768 3.433 -3.319 1.00 0.00 H new ATOM 403 N ASN A 30 -25.472 4.321 -2.987 1.00 0.00 N ATOM 404 CA ASN A 30 -24.722 3.349 -3.792 1.00 0.00 C ATOM 405 C ASN A 30 -23.295 3.844 -4.061 1.00 0.00 C ATOM 406 O ASN A 30 -22.578 3.206 -4.837 1.00 0.00 O ATOM 407 CB ASN A 30 -25.423 3.024 -5.136 1.00 0.00 C ATOM 408 CG ASN A 30 -26.794 2.340 -5.103 1.00 0.00 C ATOM 409 OD1 ASN A 30 -27.459 2.219 -6.130 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.285 1.843 -3.980 1.00 0.00 N ATOM 0 H ASN A 30 -25.403 5.280 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.683 2.430 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.533 3.958 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.751 2.390 -5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.191 1.375 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.757 1.927 -3.111 1.00 0.00 H new ATOM 417 N SER A 31 -22.853 4.977 -3.505 1.00 0.00 N ATOM 418 CA SER A 31 -21.523 5.515 -3.772 1.00 0.00 C ATOM 419 C SER A 31 -21.016 6.314 -2.560 1.00 0.00 C ATOM 420 O SER A 31 -21.806 6.656 -1.675 1.00 0.00 O ATOM 421 CB SER A 31 -21.587 6.366 -5.051 1.00 0.00 C ATOM 422 OG SER A 31 -22.201 5.672 -6.134 1.00 0.00 O ATOM 0 H SER A 31 -23.407 5.541 -2.861 1.00 0.00 H new ATOM 0 HA SER A 31 -20.809 4.707 -3.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.143 7.282 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.578 6.662 -5.338 1.00 0.00 H new ATOM 0 HG SER A 31 -22.366 6.296 -6.871 1.00 0.00 H new ATOM 428 N VAL A 32 -19.711 6.590 -2.493 1.00 0.00 N ATOM 429 CA VAL A 32 -19.058 7.311 -1.401 1.00 0.00 C ATOM 430 C VAL A 32 -17.759 7.917 -1.939 1.00 0.00 C ATOM 431 O VAL A 32 -17.049 7.253 -2.691 1.00 0.00 O ATOM 432 CB VAL A 32 -18.873 6.342 -0.203 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.120 5.043 -0.481 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.243 6.944 1.045 1.00 0.00 C ATOM 0 H VAL A 32 -19.058 6.307 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.657 8.141 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.924 6.116 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.058 4.455 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.649 4.472 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.114 5.273 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.162 6.179 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.250 7.323 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.865 7.762 1.409 1.00 0.00 H new ATOM 444 N THR A 33 -17.450 9.170 -1.598 1.00 0.00 N ATOM 445 CA THR A 33 -16.111 9.717 -1.817 1.00 0.00 C ATOM 446 C THR A 33 -15.210 9.229 -0.685 1.00 0.00 C ATOM 447 O THR A 33 -15.613 9.225 0.478 1.00 0.00 O ATOM 448 CB THR A 33 -16.146 11.257 -1.877 1.00 0.00 C ATOM 449 OG1 THR A 33 -16.646 11.683 -3.137 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.755 11.898 -1.823 1.00 0.00 C ATOM 0 H THR A 33 -18.107 9.823 -1.170 1.00 0.00 H new ATOM 0 HA THR A 33 -15.720 9.374 -2.775 1.00 0.00 H new ATOM 0 HB THR A 33 -16.754 11.552 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.667 12.662 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.852 12.983 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.261 11.617 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.161 11.550 -2.668 1.00 0.00 H new ATOM 458 N LEU A 34 -13.970 8.890 -1.017 1.00 0.00 N ATOM 459 CA LEU A 34 -12.870 8.752 -0.077 1.00 0.00 C ATOM 460 C LEU A 34 -11.856 9.834 -0.405 1.00 0.00 C ATOM 461 O LEU A 34 -11.718 10.202 -1.572 1.00 0.00 O ATOM 462 CB LEU A 34 -12.245 7.362 -0.235 1.00 0.00 C ATOM 463 CG LEU A 34 -13.151 6.234 0.268 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.566 4.894 -0.176 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.294 6.253 1.791 1.00 0.00 C ATOM 0 H LEU A 34 -13.696 8.698 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.210 8.858 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.013 7.192 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.301 7.331 0.309 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.144 6.378 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.204 4.084 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.510 4.864 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.566 4.777 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.944 5.437 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.313 6.133 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.727 7.203 2.104 1.00 0.00 H new ATOM 477 N SER A 35 -11.128 10.299 0.608 1.00 0.00 N ATOM 478 CA SER A 35 -10.023 11.239 0.466 1.00 0.00 C ATOM 479 C SER A 35 -8.898 10.798 1.374 1.00 0.00 C ATOM 480 O SER A 35 -9.144 10.443 2.521 1.00 0.00 O ATOM 481 CB SER A 35 -10.515 12.650 0.801 1.00 0.00 C ATOM 482 OG SER A 35 -9.495 13.632 0.895 1.00 0.00 O ATOM 0 H SER A 35 -11.297 10.024 1.576 1.00 0.00 H new ATOM 0 HA SER A 35 -9.649 11.256 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.229 12.961 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.054 12.616 1.748 1.00 0.00 H new ATOM 0 HG SER A 35 -9.896 14.500 1.109 1.00 0.00 H new ATOM 488 N TRP A 36 -7.673 10.797 0.873 1.00 0.00 N ATOM 489 CA TRP A 36 -6.482 10.464 1.654 1.00 0.00 C ATOM 490 C TRP A 36 -5.334 11.409 1.303 1.00 0.00 C ATOM 491 O TRP A 36 -5.421 12.164 0.331 1.00 0.00 O ATOM 492 CB TRP A 36 -6.116 8.981 1.453 1.00 0.00 C ATOM 493 CG TRP A 36 -5.912 8.540 0.036 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.726 8.476 -0.612 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.918 8.127 -0.936 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.924 8.062 -1.912 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.262 7.865 -2.173 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.321 7.962 -0.906 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.962 7.511 -3.333 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.029 7.576 -2.056 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.355 7.367 -3.271 1.00 0.00 C ATOM 0 H TRP A 36 -7.470 11.030 -0.099 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.689 10.602 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.203 8.774 2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.905 8.370 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.767 8.714 -0.176 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.177 7.920 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.857 8.135 0.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.436 7.351 -4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.099 7.439 -2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.910 7.096 -4.157 1.00 0.00 H new ATOM 512 N GLN A 37 -4.253 11.348 2.083 1.00 0.00 N ATOM 513 CA GLN A 37 -2.973 11.919 1.727 1.00 0.00 C ATOM 514 C GLN A 37 -2.178 10.817 1.010 1.00 0.00 C ATOM 515 O GLN A 37 -2.245 9.648 1.415 1.00 0.00 O ATOM 516 CB GLN A 37 -2.306 12.638 2.918 1.00 0.00 C ATOM 517 CG GLN A 37 -1.383 11.787 3.785 1.00 0.00 C ATOM 518 CD GLN A 37 0.099 12.163 3.694 1.00 0.00 C ATOM 519 OE1 GLN A 37 0.466 13.334 3.732 1.00 0.00 O ATOM 520 NE2 GLN A 37 0.998 11.192 3.690 1.00 0.00 N ATOM 0 H GLN A 37 -4.253 10.890 2.994 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.056 12.746 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.733 13.481 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.090 13.049 3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.703 11.870 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.498 10.742 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.697 10.218 3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.992 11.417 3.718 1.00 0.00 H new ATOM 529 N PRO A 38 -1.478 11.160 -0.075 1.00 0.00 N ATOM 530 CA PRO A 38 -0.655 10.237 -0.835 1.00 0.00 C ATOM 531 C PRO A 38 0.537 9.857 0.036 1.00 0.00 C ATOM 532 O PRO A 38 1.082 10.709 0.741 1.00 0.00 O ATOM 533 CB PRO A 38 -0.241 11.009 -2.091 1.00 0.00 C ATOM 534 CG PRO A 38 -0.316 12.481 -1.674 1.00 0.00 C ATOM 535 CD PRO A 38 -1.330 12.520 -0.545 1.00 0.00 C ATOM 0 HA PRO A 38 -1.158 9.313 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.765 10.737 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.909 10.798 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.656 12.847 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.628 13.111 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.990 13.173 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.284 12.915 -0.894 1.00 0.00 H new ATOM 543 N GLY A 39 0.954 8.596 0.013 1.00 0.00 N ATOM 544 CA GLY A 39 2.145 8.186 0.711 1.00 0.00 C ATOM 545 C GLY A 39 3.364 8.508 -0.138 1.00 0.00 C ATOM 546 O GLY A 39 3.290 8.779 -1.343 1.00 0.00 O ATOM 0 H GLY A 39 0.476 7.845 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.211 8.698 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.107 7.117 0.921 1.00 0.00 H new ATOM 550 N THR A 40 4.497 8.505 0.526 1.00 0.00 N ATOM 551 CA THR A 40 5.738 9.063 0.077 1.00 0.00 C ATOM 552 C THR A 40 6.369 8.188 -1.025 1.00 0.00 C ATOM 553 O THR A 40 6.294 6.961 -0.980 1.00 0.00 O ATOM 554 CB THR A 40 6.588 9.226 1.345 1.00 0.00 C ATOM 555 OG1 THR A 40 6.154 10.374 2.058 1.00 0.00 O ATOM 556 CG2 THR A 40 8.090 9.328 1.101 1.00 0.00 C ATOM 0 H THR A 40 4.574 8.084 1.452 1.00 0.00 H new ATOM 0 HA THR A 40 5.628 10.033 -0.407 1.00 0.00 H new ATOM 0 HB THR A 40 6.439 8.312 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.694 10.479 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.607 9.441 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.440 8.424 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.298 10.193 0.471 1.00 0.00 H new ATOM 564 N PRO A 41 7.011 8.812 -2.021 1.00 0.00 N ATOM 565 CA PRO A 41 7.885 8.149 -2.982 1.00 0.00 C ATOM 566 C PRO A 41 9.210 7.706 -2.337 1.00 0.00 C ATOM 567 O PRO A 41 9.393 7.782 -1.125 1.00 0.00 O ATOM 568 CB PRO A 41 8.135 9.207 -4.055 1.00 0.00 C ATOM 569 CG PRO A 41 7.986 10.530 -3.327 1.00 0.00 C ATOM 570 CD PRO A 41 6.937 10.240 -2.270 1.00 0.00 C ATOM 0 HA PRO A 41 7.435 7.239 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.129 9.103 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.419 9.121 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.927 10.850 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.667 11.325 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.132 10.806 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.944 10.526 -2.616 1.00 0.00 H new ATOM 578 N GLY A 42 10.180 7.291 -3.148 1.00 0.00 N ATOM 579 CA GLY A 42 11.559 7.172 -2.720 1.00 0.00 C ATOM 580 C GLY A 42 12.357 6.446 -3.782 1.00 0.00 C ATOM 581 O GLY A 42 12.490 6.935 -4.904 1.00 0.00 O ATOM 0 H GLY A 42 10.025 7.029 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.983 8.161 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.612 6.630 -1.776 1.00 0.00 H new ATOM 585 N THR A 43 12.825 5.258 -3.419 1.00 0.00 N ATOM 586 CA THR A 43 13.627 4.328 -4.184 1.00 0.00 C ATOM 587 C THR A 43 13.089 4.111 -5.590 1.00 0.00 C ATOM 588 O THR A 43 13.865 3.999 -6.539 1.00 0.00 O ATOM 589 CB THR A 43 13.600 3.009 -3.397 1.00 0.00 C ATOM 590 OG1 THR A 43 12.316 2.768 -2.831 1.00 0.00 O ATOM 591 CG2 THR A 43 14.588 3.053 -2.241 1.00 0.00 C ATOM 0 H THR A 43 12.629 4.891 -2.488 1.00 0.00 H new ATOM 0 HA THR A 43 14.636 4.719 -4.311 1.00 0.00 H new ATOM 0 HB THR A 43 13.858 2.221 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.851 2.083 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.553 2.109 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.594 3.212 -2.628 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.325 3.870 -1.569 1.00 0.00 H new ATOM 599 N LEU A 44 11.766 4.013 -5.713 1.00 0.00 N ATOM 600 CA LEU A 44 11.074 3.846 -6.975 1.00 0.00 C ATOM 601 C LEU A 44 9.876 4.797 -7.024 1.00 0.00 C ATOM 602 O LEU A 44 9.425 5.284 -5.979 1.00 0.00 O ATOM 603 CB LEU A 44 10.632 2.379 -7.109 1.00 0.00 C ATOM 604 CG LEU A 44 11.766 1.397 -7.457 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.238 -0.040 -7.393 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.350 1.693 -8.846 1.00 0.00 C ATOM 0 H LEU A 44 11.136 4.049 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 44 11.732 4.087 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.172 2.065 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.863 2.314 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 44 12.568 1.520 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.041 -0.734 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.873 -0.249 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.423 -0.160 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.148 0.984 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.566 1.599 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.750 2.707 -8.864 1.00 0.00 H new ATOM 618 N PRO A 45 9.322 5.040 -8.220 1.00 0.00 N ATOM 619 CA PRO A 45 8.134 5.858 -8.407 1.00 0.00 C ATOM 620 C PRO A 45 6.869 5.062 -8.080 1.00 0.00 C ATOM 621 O PRO A 45 6.925 3.850 -7.864 1.00 0.00 O ATOM 622 CB PRO A 45 8.200 6.275 -9.879 1.00 0.00 C ATOM 623 CG PRO A 45 8.898 5.103 -10.566 1.00 0.00 C ATOM 624 CD PRO A 45 9.840 4.571 -9.496 1.00 0.00 C ATOM 0 HA PRO A 45 8.099 6.724 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.205 6.443 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.759 7.202 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.185 4.343 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.441 5.425 -11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.881 3.482 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.856 4.932 -9.659 1.00 0.00 H new ATOM 632 N ALA A 46 5.718 5.733 -8.035 1.00 0.00 N ATOM 633 CA ALA A 46 4.430 5.133 -7.703 1.00 0.00 C ATOM 634 C ALA A 46 3.560 5.094 -8.957 1.00 0.00 C ATOM 635 O ALA A 46 3.081 6.124 -9.443 1.00 0.00 O ATOM 636 CB ALA A 46 3.787 5.896 -6.549 1.00 0.00 C ATOM 0 H ALA A 46 5.656 6.732 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 46 4.556 4.105 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.826 5.444 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.439 5.854 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.636 6.936 -6.840 1.00 0.00 H new ATOM 642 N SER A 47 3.406 3.882 -9.478 1.00 0.00 N ATOM 643 CA SER A 47 2.667 3.506 -10.666 1.00 0.00 C ATOM 644 C SER A 47 1.184 3.893 -10.579 1.00 0.00 C ATOM 645 O SER A 47 0.656 4.477 -11.523 1.00 0.00 O ATOM 646 CB SER A 47 2.834 1.988 -10.820 1.00 0.00 C ATOM 647 OG SER A 47 4.093 1.600 -11.344 1.00 0.00 O ATOM 0 H SER A 47 3.836 3.069 -9.036 1.00 0.00 H new ATOM 0 HA SER A 47 3.055 4.040 -11.534 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.695 1.516 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.047 1.610 -11.473 1.00 0.00 H new ATOM 0 HG SER A 47 4.131 0.623 -11.414 1.00 0.00 H new ATOM 653 N ALA A 48 0.471 3.531 -9.509 1.00 0.00 N ATOM 654 CA ALA A 48 -0.952 3.830 -9.335 1.00 0.00 C ATOM 655 C ALA A 48 -1.318 3.576 -7.871 1.00 0.00 C ATOM 656 O ALA A 48 -0.435 3.420 -7.031 1.00 0.00 O ATOM 657 CB ALA A 48 -1.809 2.983 -10.298 1.00 0.00 C ATOM 0 H ALA A 48 0.873 3.014 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.153 4.874 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.863 3.221 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.526 3.204 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.645 1.925 -10.096 1.00 0.00 H new ATOM 663 N TYR A 49 -2.609 3.491 -7.579 1.00 0.00 N ATOM 664 CA TYR A 49 -3.190 3.040 -6.333 1.00 0.00 C ATOM 665 C TYR A 49 -4.249 1.989 -6.642 1.00 0.00 C ATOM 666 O TYR A 49 -4.745 1.885 -7.766 1.00 0.00 O ATOM 667 CB TYR A 49 -3.838 4.210 -5.573 1.00 0.00 C ATOM 668 CG TYR A 49 -2.892 5.289 -5.099 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.605 6.380 -5.936 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.310 5.216 -3.821 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.685 7.355 -5.532 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.394 6.194 -3.402 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.052 7.253 -4.274 1.00 0.00 C ATOM 674 OH TYR A 49 -0.092 8.150 -3.921 1.00 0.00 O ATOM 0 H TYR A 49 -3.323 3.755 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.404 2.619 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.587 4.668 -6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.365 3.809 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.096 6.467 -6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.569 4.403 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.459 8.186 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.953 6.138 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 49 0.240 7.938 -3.024 1.00 0.00 H new ATOM 684 N ILE A 50 -4.628 1.260 -5.605 1.00 0.00 N ATOM 685 CA ILE A 50 -5.836 0.465 -5.488 1.00 0.00 C ATOM 686 C ILE A 50 -6.610 1.021 -4.290 1.00 0.00 C ATOM 687 O ILE A 50 -6.021 1.558 -3.350 1.00 0.00 O ATOM 688 CB ILE A 50 -5.418 -1.024 -5.359 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.278 -1.622 -6.764 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.293 -1.915 -4.470 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.476 -2.921 -6.737 1.00 0.00 C ATOM 0 H ILE A 50 -4.056 1.206 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.495 0.518 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.467 -1.009 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.267 -1.811 -7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.788 -0.903 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.893 -2.929 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.298 -1.522 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.311 -1.928 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.395 -3.320 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.479 -2.725 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.981 -3.647 -6.100 1.00 0.00 H new ATOM 703 N ILE A 51 -7.925 0.826 -4.293 1.00 0.00 N ATOM 704 CA ILE A 51 -8.767 0.810 -3.101 1.00 0.00 C ATOM 705 C ILE A 51 -9.329 -0.604 -3.042 1.00 0.00 C ATOM 706 O ILE A 51 -9.917 -1.068 -4.020 1.00 0.00 O ATOM 707 CB ILE A 51 -9.884 1.875 -3.189 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.286 3.265 -3.465 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.745 1.916 -1.917 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.322 4.379 -3.595 1.00 0.00 C ATOM 0 H ILE A 51 -8.451 0.670 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.210 1.058 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.532 1.591 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.597 3.518 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.700 3.220 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.516 2.679 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.214 0.944 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.116 2.154 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.817 5.325 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.998 4.153 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.892 4.455 -2.669 1.00 0.00 H new ATOM 722 N GLU A 52 -9.152 -1.315 -1.942 1.00 0.00 N ATOM 723 CA GLU A 52 -9.922 -2.517 -1.676 1.00 0.00 C ATOM 724 C GLU A 52 -11.006 -2.111 -0.696 1.00 0.00 C ATOM 725 O GLU A 52 -10.814 -1.183 0.088 1.00 0.00 O ATOM 726 CB GLU A 52 -9.054 -3.660 -1.128 1.00 0.00 C ATOM 727 CG GLU A 52 -7.935 -3.999 -2.111 1.00 0.00 C ATOM 728 CD GLU A 52 -7.214 -5.303 -1.773 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.766 -6.386 -2.073 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.099 -5.262 -1.196 1.00 0.00 O ATOM 0 H GLU A 52 -8.477 -1.078 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.350 -2.912 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.627 -3.372 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.671 -4.541 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.352 -4.071 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.212 -3.184 -2.124 1.00 0.00 H new ATOM 737 N ALA A 53 -12.133 -2.811 -0.733 1.00 0.00 N ATOM 738 CA ALA A 53 -13.234 -2.667 0.199 1.00 0.00 C ATOM 739 C ALA A 53 -13.616 -4.059 0.663 1.00 0.00 C ATOM 740 O ALA A 53 -13.550 -5.021 -0.114 1.00 0.00 O ATOM 741 CB ALA A 53 -14.441 -2.052 -0.515 1.00 0.00 C ATOM 0 H ALA A 53 -12.308 -3.522 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.943 -2.028 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.266 -1.946 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.171 -1.072 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.747 -2.700 -1.336 1.00 0.00 H new ATOM 747 N PHE A 54 -14.139 -4.144 1.871 1.00 0.00 N ATOM 748 CA PHE A 54 -14.757 -5.332 2.417 1.00 0.00 C ATOM 749 C PHE A 54 -16.162 -4.931 2.821 1.00 0.00 C ATOM 750 O PHE A 54 -16.397 -3.788 3.213 1.00 0.00 O ATOM 751 CB PHE A 54 -13.910 -5.840 3.591 1.00 0.00 C ATOM 752 CG PHE A 54 -14.540 -6.832 4.552 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.406 -6.373 5.560 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.133 -8.179 4.561 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.869 -7.248 6.558 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.606 -9.052 5.556 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.476 -8.594 6.555 1.00 0.00 C ATOM 0 H PHE A 54 -14.144 -3.358 2.521 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.814 -6.155 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.011 -6.300 3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.589 -4.974 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.718 -5.339 5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.456 -8.543 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.530 -6.882 7.330 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.296 -10.086 5.551 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.840 -9.271 7.314 1.00 0.00 H new ATOM 767 N SER A 55 -17.077 -5.888 2.780 1.00 0.00 N ATOM 768 CA SER A 55 -18.226 -5.877 3.645 1.00 0.00 C ATOM 769 C SER A 55 -18.423 -7.320 4.056 1.00 0.00 C ATOM 770 O SER A 55 -18.415 -8.235 3.214 1.00 0.00 O ATOM 771 CB SER A 55 -19.478 -5.396 2.925 1.00 0.00 C ATOM 772 OG SER A 55 -20.524 -5.120 3.836 1.00 0.00 O ATOM 0 H SER A 55 -17.036 -6.686 2.146 1.00 0.00 H new ATOM 0 HA SER A 55 -18.065 -5.202 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.247 -4.499 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.804 -6.154 2.213 1.00 0.00 H new ATOM 0 HG SER A 55 -20.393 -4.230 4.225 1.00 0.00 H new ATOM 778 N GLN A 56 -18.686 -7.508 5.337 1.00 0.00 N ATOM 779 CA GLN A 56 -19.234 -8.730 5.850 1.00 0.00 C ATOM 780 C GLN A 56 -20.544 -9.015 5.129 1.00 0.00 C ATOM 781 O GLN A 56 -20.708 -10.073 4.525 1.00 0.00 O ATOM 782 CB GLN A 56 -19.371 -8.554 7.366 1.00 0.00 C ATOM 783 CG GLN A 56 -19.962 -9.776 8.048 1.00 0.00 C ATOM 784 CD GLN A 56 -19.805 -9.675 9.559 1.00 0.00 C ATOM 785 OE1 GLN A 56 -20.312 -8.754 10.199 1.00 0.00 O ATOM 786 NE2 GLN A 56 -19.074 -10.586 10.166 1.00 0.00 N ATOM 0 H GLN A 56 -18.519 -6.800 6.052 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.601 -9.599 5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.390 -8.344 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.001 -7.688 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -21.018 -9.867 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.467 -10.677 7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.657 -11.346 9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.924 -10.532 11.174 1.00 0.00 H new ATOM 795 N SER A 57 -21.412 -8.009 5.101 1.00 0.00 N ATOM 796 CA SER A 57 -22.746 -7.968 4.530 1.00 0.00 C ATOM 797 C SER A 57 -22.753 -7.913 2.985 1.00 0.00 C ATOM 798 O SER A 57 -23.698 -7.389 2.393 1.00 0.00 O ATOM 799 CB SER A 57 -23.428 -6.731 5.131 1.00 0.00 C ATOM 800 OG SER A 57 -23.083 -6.521 6.499 1.00 0.00 O ATOM 0 H SER A 57 -21.169 -7.112 5.522 1.00 0.00 H new ATOM 0 HA SER A 57 -23.278 -8.888 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.150 -5.851 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.509 -6.840 5.046 1.00 0.00 H new ATOM 0 HG SER A 57 -23.541 -5.722 6.833 1.00 0.00 H new ATOM 806 N VAL A 58 -21.700 -8.411 2.331 1.00 0.00 N ATOM 807 CA VAL A 58 -21.628 -8.668 0.895 1.00 0.00 C ATOM 808 C VAL A 58 -20.978 -10.041 0.737 1.00 0.00 C ATOM 809 O VAL A 58 -21.618 -10.960 0.222 1.00 0.00 O ATOM 810 CB VAL A 58 -20.855 -7.559 0.140 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.629 -7.873 -1.349 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.615 -6.230 0.216 1.00 0.00 C ATOM 0 H VAL A 58 -20.835 -8.657 2.813 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.623 -8.660 0.450 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.885 -7.498 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.082 -7.053 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.053 -8.794 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.592 -7.995 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.058 -5.461 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.599 -6.347 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.729 -5.935 1.259 1.00 0.00 H new ATOM 822 N SER A 59 -19.724 -10.186 1.184 1.00 0.00 N ATOM 823 CA SER A 59 -18.891 -11.329 0.824 1.00 0.00 C ATOM 824 C SER A 59 -17.943 -11.785 1.950 1.00 0.00 C ATOM 825 O SER A 59 -17.320 -12.834 1.796 1.00 0.00 O ATOM 826 CB SER A 59 -18.161 -10.990 -0.498 1.00 0.00 C ATOM 827 OG SER A 59 -18.655 -11.780 -1.564 1.00 0.00 O ATOM 0 H SER A 59 -19.265 -9.516 1.801 1.00 0.00 H new ATOM 0 HA SER A 59 -19.528 -12.200 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.294 -9.933 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.091 -11.158 -0.381 1.00 0.00 H new ATOM 0 HG SER A 59 -18.181 -11.548 -2.390 1.00 0.00 H new ATOM 833 N ASN A 60 -17.855 -11.081 3.093 1.00 0.00 N ATOM 834 CA ASN A 60 -16.913 -11.359 4.200 1.00 0.00 C ATOM 835 C ASN A 60 -15.480 -11.601 3.689 1.00 0.00 C ATOM 836 O ASN A 60 -14.724 -12.433 4.187 1.00 0.00 O ATOM 837 CB ASN A 60 -17.447 -12.477 5.115 1.00 0.00 C ATOM 838 CG ASN A 60 -16.726 -12.512 6.462 1.00 0.00 C ATOM 839 OD1 ASN A 60 -17.028 -11.718 7.348 1.00 0.00 O ATOM 840 ND2 ASN A 60 -15.785 -13.418 6.658 1.00 0.00 N ATOM 0 H ASN A 60 -18.455 -10.277 3.281 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.845 -10.467 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.515 -12.331 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.330 -13.439 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.300 -13.464 7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -15.544 -14.072 5.913 1.00 0.00 H new ATOM 847 N SER A 61 -15.118 -10.856 2.652 1.00 0.00 N ATOM 848 CA SER A 61 -13.939 -10.987 1.815 1.00 0.00 C ATOM 849 C SER A 61 -13.619 -9.561 1.345 1.00 0.00 C ATOM 850 O SER A 61 -14.528 -8.716 1.300 1.00 0.00 O ATOM 851 CB SER A 61 -14.332 -11.935 0.659 1.00 0.00 C ATOM 852 OG SER A 61 -14.445 -13.270 1.115 1.00 0.00 O ATOM 0 H SER A 61 -15.698 -10.073 2.351 1.00 0.00 H new ATOM 0 HA SER A 61 -13.059 -11.403 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.279 -11.613 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.584 -11.879 -0.132 1.00 0.00 H new ATOM 0 HG SER A 61 -15.359 -13.432 1.429 1.00 0.00 H new ATOM 858 N TRP A 62 -12.384 -9.276 0.945 1.00 0.00 N ATOM 859 CA TRP A 62 -12.025 -8.010 0.306 1.00 0.00 C ATOM 860 C TRP A 62 -12.269 -8.142 -1.199 1.00 0.00 C ATOM 861 O TRP A 62 -12.250 -9.260 -1.720 1.00 0.00 O ATOM 862 CB TRP A 62 -10.570 -7.650 0.652 1.00 0.00 C ATOM 863 CG TRP A 62 -10.404 -7.213 2.076 1.00 0.00 C ATOM 864 CD1 TRP A 62 -10.288 -8.028 3.148 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.506 -5.862 2.617 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.337 -7.277 4.306 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.521 -5.935 4.040 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.692 -4.592 2.038 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.756 -4.803 4.839 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.951 -3.459 2.829 1.00 0.00 C ATOM 871 CH2 TRP A 62 -11.001 -3.564 4.228 1.00 0.00 C ATOM 0 H TRP A 62 -11.599 -9.918 1.054 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.643 -7.191 0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.932 -8.514 0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -10.230 -6.854 -0.010 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.174 -9.101 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.248 -7.667 5.244 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.635 -4.486 0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.748 -4.886 5.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.113 -2.501 2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.227 -2.696 4.830 1.00 0.00 H new ATOM 882 N GLN A 63 -12.523 -7.029 -1.896 1.00 0.00 N ATOM 883 CA GLN A 63 -12.518 -6.920 -3.358 1.00 0.00 C ATOM 884 C GLN A 63 -11.787 -5.629 -3.699 1.00 0.00 C ATOM 885 O GLN A 63 -11.903 -4.643 -2.969 1.00 0.00 O ATOM 886 CB GLN A 63 -13.936 -6.920 -4.000 1.00 0.00 C ATOM 887 CG GLN A 63 -14.824 -8.015 -3.390 1.00 0.00 C ATOM 888 CD GLN A 63 -15.869 -8.736 -4.230 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.299 -8.304 -5.299 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.281 -9.869 -3.684 1.00 0.00 N ATOM 0 H GLN A 63 -12.746 -6.145 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.024 -7.801 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.404 -5.946 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.851 -7.075 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.158 -8.777 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.347 -7.568 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.889 -10.179 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.991 -10.432 -4.152 1.00 0.00 H new ATOM 899 N THR A 64 -11.066 -5.626 -4.811 1.00 0.00 N ATOM 900 CA THR A 64 -10.510 -4.436 -5.434 1.00 0.00 C ATOM 901 C THR A 64 -11.700 -3.658 -6.038 1.00 0.00 C ATOM 902 O THR A 64 -12.544 -4.259 -6.706 1.00 0.00 O ATOM 903 CB THR A 64 -9.457 -4.951 -6.438 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.451 -5.651 -5.730 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.661 -3.912 -7.227 1.00 0.00 C ATOM 0 H THR A 64 -10.845 -6.482 -5.321 1.00 0.00 H new ATOM 0 HA THR A 64 -10.002 -3.735 -4.772 1.00 0.00 H new ATOM 0 HB THR A 64 -10.064 -5.524 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.778 -5.983 -6.360 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.961 -4.418 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.344 -3.301 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.110 -3.275 -6.536 1.00 0.00 H new ATOM 913 N VAL A 65 -11.834 -2.358 -5.740 1.00 0.00 N ATOM 914 CA VAL A 65 -12.997 -1.531 -6.098 1.00 0.00 C ATOM 915 C VAL A 65 -12.658 -0.252 -6.891 1.00 0.00 C ATOM 916 O VAL A 65 -13.577 0.379 -7.426 1.00 0.00 O ATOM 917 CB VAL A 65 -13.836 -1.209 -4.837 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.537 -2.460 -4.281 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.033 -0.531 -3.720 1.00 0.00 C ATOM 0 H VAL A 65 -11.119 -1.839 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.590 -2.133 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.587 -0.495 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.115 -2.191 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.204 -2.871 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.790 -3.207 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.686 -0.336 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.218 -1.185 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.623 0.410 -4.086 1.00 0.00 H new ATOM 929 N ALA A 66 -11.385 0.147 -6.978 1.00 0.00 N ATOM 930 CA ALA A 66 -10.894 1.331 -7.682 1.00 0.00 C ATOM 931 C ALA A 66 -9.421 1.104 -8.069 1.00 0.00 C ATOM 932 O ALA A 66 -8.494 1.572 -7.408 1.00 0.00 O ATOM 933 CB ALA A 66 -11.076 2.574 -6.808 1.00 0.00 C ATOM 0 H ALA A 66 -10.631 -0.377 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.466 1.496 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.707 3.451 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.134 2.706 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.517 2.452 -5.880 1.00 0.00 H new ATOM 939 N ASN A 67 -9.223 0.277 -9.089 1.00 0.00 N ATOM 940 CA ASN A 67 -7.970 -0.282 -9.561 1.00 0.00 C ATOM 941 C ASN A 67 -7.290 0.722 -10.485 1.00 0.00 C ATOM 942 O ASN A 67 -7.951 1.439 -11.244 1.00 0.00 O ATOM 943 CB ASN A 67 -8.357 -1.561 -10.312 1.00 0.00 C ATOM 944 CG ASN A 67 -7.228 -2.257 -11.039 1.00 0.00 C ATOM 945 OD1 ASN A 67 -7.072 -2.094 -12.238 1.00 0.00 O ATOM 946 ND2 ASN A 67 -6.477 -3.094 -10.351 1.00 0.00 N ATOM 0 H ASN A 67 -10.008 -0.046 -9.654 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.269 -0.501 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.794 -2.261 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.135 -1.315 -11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.743 -3.625 -10.820 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.629 -3.211 -9.349 1.00 0.00 H new ATOM 953 N HIS A 68 -5.963 0.737 -10.402 1.00 0.00 N ATOM 954 CA HIS A 68 -5.057 1.726 -10.987 1.00 0.00 C ATOM 955 C HIS A 68 -5.633 3.151 -10.900 1.00 0.00 C ATOM 956 O HIS A 68 -5.838 3.817 -11.913 1.00 0.00 O ATOM 957 CB HIS A 68 -4.627 1.347 -12.420 1.00 0.00 C ATOM 958 CG HIS A 68 -3.559 0.290 -12.506 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.198 0.486 -12.605 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.782 -1.053 -12.519 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.611 -0.724 -12.619 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.539 -1.692 -12.539 1.00 0.00 N ATOM 0 H HIS A 68 -5.457 0.013 -9.892 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.148 1.721 -10.386 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.504 1.001 -12.967 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.270 2.244 -12.925 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.747 -1.538 -12.515 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.546 -0.893 -12.685 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.370 -2.697 -12.500 1.00 0.00 H new ATOM 970 N VAL A 69 -5.881 3.644 -9.690 1.00 0.00 N ATOM 971 CA VAL A 69 -6.236 5.040 -9.456 1.00 0.00 C ATOM 972 C VAL A 69 -4.946 5.865 -9.464 1.00 0.00 C ATOM 973 O VAL A 69 -3.898 5.395 -9.032 1.00 0.00 O ATOM 974 CB VAL A 69 -7.036 5.137 -8.139 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.142 6.554 -7.561 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.462 4.636 -8.389 1.00 0.00 C ATOM 0 H VAL A 69 -5.841 3.083 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.881 5.443 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.490 4.532 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.720 6.528 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.143 6.938 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.638 7.205 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.037 4.700 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.935 5.252 -9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.430 3.600 -8.726 1.00 0.00 H new ATOM 986 N LYS A 70 -4.994 7.102 -9.957 1.00 0.00 N ATOM 987 CA LYS A 70 -3.868 8.029 -10.013 1.00 0.00 C ATOM 988 C LYS A 70 -4.253 9.371 -9.392 1.00 0.00 C ATOM 989 O LYS A 70 -3.956 10.434 -9.938 1.00 0.00 O ATOM 990 CB LYS A 70 -3.397 8.185 -11.461 1.00 0.00 C ATOM 991 CG LYS A 70 -3.233 6.867 -12.224 1.00 0.00 C ATOM 992 CD LYS A 70 -4.470 6.496 -13.053 1.00 0.00 C ATOM 993 CE LYS A 70 -4.128 5.323 -13.968 1.00 0.00 C ATOM 994 NZ LYS A 70 -4.623 5.509 -15.347 1.00 0.00 N ATOM 0 H LYS A 70 -5.851 7.499 -10.342 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.038 7.629 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.110 8.813 -11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.443 8.712 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.369 6.941 -12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.024 6.066 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.297 6.230 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.796 7.351 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.047 5.189 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.554 4.409 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.363 4.683 -15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.658 5.610 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.197 6.365 -15.756 1.00 0.00 H new ATOM 1008 N THR A 71 -4.985 9.337 -8.289 1.00 0.00 N ATOM 1009 CA THR A 71 -5.389 10.509 -7.539 1.00 0.00 C ATOM 1010 C THR A 71 -5.463 10.096 -6.067 1.00 0.00 C ATOM 1011 O THR A 71 -5.139 8.965 -5.697 1.00 0.00 O ATOM 1012 CB THR A 71 -6.687 11.111 -8.138 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.157 12.216 -7.387 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.798 10.084 -8.341 1.00 0.00 C ATOM 0 H THR A 71 -5.323 8.465 -7.882 1.00 0.00 H new ATOM 0 HA THR A 71 -4.671 11.326 -7.608 1.00 0.00 H new ATOM 0 HB THR A 71 -6.405 11.466 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.974 12.567 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.675 10.575 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.454 9.306 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.059 9.636 -7.382 1.00 0.00 H new ATOM 1022 N THR A 72 -5.882 11.036 -5.238 1.00 0.00 N ATOM 1023 CA THR A 72 -5.988 10.988 -3.796 1.00 0.00 C ATOM 1024 C THR A 72 -7.452 11.088 -3.349 1.00 0.00 C ATOM 1025 O THR A 72 -7.728 11.092 -2.147 1.00 0.00 O ATOM 1026 CB THR A 72 -5.113 12.122 -3.241 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.325 13.321 -3.978 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.629 11.754 -3.351 1.00 0.00 C ATOM 0 H THR A 72 -6.186 11.941 -5.598 1.00 0.00 H new ATOM 0 HA THR A 72 -5.633 10.035 -3.404 1.00 0.00 H new ATOM 0 HB THR A 72 -5.387 12.271 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.762 14.034 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.022 12.568 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.436 10.845 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.372 11.587 -4.397 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.394 11.153 -4.304 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.818 11.032 -4.037 1.00 0.00 C ATOM 1038 C LEU A 73 -10.444 10.111 -5.067 1.00 0.00 C ATOM 1039 O LEU A 73 -10.049 10.131 -6.233 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.533 12.388 -4.093 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.256 13.280 -2.873 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -9.178 14.338 -3.130 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.554 13.960 -2.451 1.00 0.00 C ATOM 0 H LEU A 73 -8.176 11.293 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.931 10.629 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.224 12.915 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.607 12.220 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.876 12.636 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.031 14.934 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.242 13.847 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.493 14.987 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.367 14.595 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.930 14.569 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.294 13.203 -2.192 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.424 9.312 -4.655 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.210 8.490 -5.569 1.00 0.00 C ATOM 1057 C TYR A 74 -13.634 8.381 -5.053 1.00 0.00 C ATOM 1058 O TYR A 74 -13.852 8.028 -3.893 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.545 7.119 -5.743 1.00 0.00 C ATOM 1060 CG TYR A 74 -12.093 6.291 -6.891 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.582 6.450 -8.196 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -13.090 5.333 -6.648 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.056 5.642 -9.249 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.578 4.532 -7.695 1.00 0.00 C ATOM 1065 CZ TYR A 74 -13.060 4.675 -8.999 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.517 3.860 -9.991 1.00 0.00 O ATOM 0 H TYR A 74 -11.696 9.216 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.250 8.955 -6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.476 7.265 -5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.660 6.554 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.824 7.194 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.485 5.211 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.654 5.760 -10.245 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.352 3.805 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.204 3.261 -9.631 1.00 0.00 H new ATOM 1076 N THR A 75 -14.587 8.654 -5.936 1.00 0.00 N ATOM 1077 CA THR A 75 -15.978 8.272 -5.813 1.00 0.00 C ATOM 1078 C THR A 75 -16.061 6.756 -6.028 1.00 0.00 C ATOM 1079 O THR A 75 -16.121 6.295 -7.169 1.00 0.00 O ATOM 1080 CB THR A 75 -16.768 9.042 -6.880 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.578 10.436 -6.746 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.274 8.774 -6.792 1.00 0.00 C ATOM 0 H THR A 75 -14.397 9.171 -6.794 1.00 0.00 H new ATOM 0 HA THR A 75 -16.395 8.509 -4.834 1.00 0.00 H new ATOM 0 HB THR A 75 -16.390 8.691 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.090 10.904 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.790 9.341 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.463 7.710 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.641 9.080 -5.813 1.00 0.00 H new ATOM 1090 N VAL A 76 -16.037 5.974 -4.951 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.371 4.557 -4.985 1.00 0.00 C ATOM 1092 C VAL A 76 -17.843 4.457 -5.387 1.00 0.00 C ATOM 1093 O VAL A 76 -18.671 5.228 -4.897 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.129 3.930 -3.601 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.406 2.419 -3.606 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.688 4.148 -3.109 1.00 0.00 C ATOM 0 H VAL A 76 -15.782 6.312 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.749 4.017 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.822 4.433 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.224 2.012 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.444 2.240 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.747 1.931 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.565 3.688 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.991 3.694 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.486 5.217 -3.036 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.190 3.513 -6.261 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.542 3.306 -6.776 1.00 0.00 C ATOM 1108 C ARG A 77 -19.887 1.820 -6.757 1.00 0.00 C ATOM 1109 O ARG A 77 -19.065 0.990 -6.365 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.632 3.872 -8.203 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.459 5.395 -8.256 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.339 5.879 -9.697 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.612 7.317 -9.839 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.735 7.937 -11.020 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -19.491 7.279 -12.150 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.119 9.207 -11.074 1.00 0.00 N ATOM 0 H ARG A 77 -17.515 2.850 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.261 3.827 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.867 3.403 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.598 3.606 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.309 5.879 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.570 5.684 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.335 5.666 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.033 5.318 -10.323 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.713 7.874 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.209 6.299 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.586 7.754 -13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.322 9.715 -10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.211 9.674 -11.976 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.100 1.482 -7.199 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.553 0.100 -7.296 1.00 0.00 C ATOM 1132 C GLY A 78 -21.834 -0.516 -5.930 1.00 0.00 C ATOM 1133 O GLY A 78 -21.795 -1.739 -5.789 1.00 0.00 O ATOM 0 H GLY A 78 -21.796 2.165 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.457 0.059 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.796 -0.492 -7.810 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.087 0.308 -4.909 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.342 -0.188 -3.560 1.00 0.00 C ATOM 1139 C LEU A 79 -23.818 -0.505 -3.391 1.00 0.00 C ATOM 1140 O LEU A 79 -24.664 -0.203 -4.238 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.865 0.795 -2.476 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.377 1.139 -2.585 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -20.022 2.221 -1.568 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.431 -0.055 -2.406 1.00 0.00 C ATOM 0 H LEU A 79 -22.120 1.324 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.763 -1.103 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.449 1.713 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -22.061 0.365 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.230 1.491 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.962 2.463 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.614 3.114 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.236 1.859 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.398 0.282 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.582 -0.494 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.639 -0.802 -3.172 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.122 -1.110 -2.254 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.470 -1.479 -1.817 1.00 0.00 C ATOM 1158 C ARG A 80 -25.899 -0.467 -0.768 1.00 0.00 C ATOM 1159 O ARG A 80 -25.024 0.053 -0.076 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.478 -2.902 -1.232 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.074 -3.897 -2.317 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.877 -5.326 -1.798 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.528 -6.278 -2.876 1.00 0.00 N ATOM 1164 CZ ARG A 80 -23.467 -6.273 -3.698 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -22.479 -5.403 -3.547 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -23.380 -7.146 -4.692 1.00 0.00 N ATOM 0 H ARG A 80 -23.407 -1.372 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.161 -1.472 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.789 -2.965 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.470 -3.145 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.838 -3.904 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.149 -3.558 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.089 -5.330 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.790 -5.659 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 80 -25.186 -7.045 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -22.514 -4.717 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.683 -5.419 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.123 -7.829 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -22.570 -7.134 -5.312 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.194 -0.162 -0.634 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.660 0.768 0.380 1.00 0.00 C ATOM 1182 C PRO A 81 -27.639 0.109 1.752 1.00 0.00 C ATOM 1183 O PRO A 81 -27.626 -1.120 1.854 1.00 0.00 O ATOM 1184 CB PRO A 81 -29.058 1.156 -0.079 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.573 -0.106 -0.772 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.314 -0.766 -1.344 1.00 0.00 C ATOM 0 HA PRO A 81 -27.030 1.651 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.692 1.439 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -29.035 2.006 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.083 -0.765 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -30.288 0.136 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.336 -1.846 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.235 -0.594 -2.418 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.638 0.940 2.800 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.648 0.522 4.205 1.00 0.00 C ATOM 1196 C ASN A 82 -26.620 -0.591 4.473 1.00 0.00 C ATOM 1197 O ASN A 82 -26.857 -1.498 5.271 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.079 0.104 4.593 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.281 0.087 6.097 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.452 1.136 6.706 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -29.318 -1.069 6.733 1.00 0.00 N ATOM 0 H ASN A 82 -27.630 1.954 2.690 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.348 1.360 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.793 0.792 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.289 -0.886 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -29.490 -1.093 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -29.175 -1.938 6.219 1.00 0.00 H new ATOM 1208 N THR A 83 -25.492 -0.574 3.767 1.00 0.00 N ATOM 1209 CA THR A 83 -24.476 -1.608 3.816 1.00 0.00 C ATOM 1210 C THR A 83 -23.202 -0.923 4.285 1.00 0.00 C ATOM 1211 O THR A 83 -22.823 0.138 3.777 1.00 0.00 O ATOM 1212 CB THR A 83 -24.403 -2.355 2.461 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.636 -3.017 2.223 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.325 -3.434 2.471 1.00 0.00 C ATOM 0 H THR A 83 -25.258 0.185 3.127 1.00 0.00 H new ATOM 0 HA THR A 83 -24.693 -2.409 4.522 1.00 0.00 H new ATOM 0 HB THR A 83 -24.179 -1.613 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.341 -2.352 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.304 -3.936 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.354 -2.977 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.545 -4.161 3.253 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.618 -1.493 5.335 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.331 -1.103 5.857 1.00 0.00 C ATOM 1224 C ILE A 84 -20.272 -1.490 4.844 1.00 0.00 C ATOM 1225 O ILE A 84 -20.377 -2.529 4.186 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.076 -1.770 7.224 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.028 -1.247 8.317 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.618 -1.636 7.715 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.026 0.268 8.545 1.00 0.00 C ATOM 0 H ILE A 84 -23.047 -2.259 5.854 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.299 -0.026 6.019 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.274 -2.828 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.043 -1.554 8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.772 -1.736 9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.513 -2.128 8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.947 -2.104 6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.363 -0.581 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.733 0.518 9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -21.027 0.591 8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.317 0.775 7.625 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.213 -0.694 4.801 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.011 -1.009 4.061 1.00 0.00 C ATOM 1243 C TYR A 85 -16.805 -0.597 4.870 1.00 0.00 C ATOM 1244 O TYR A 85 -16.816 0.421 5.563 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.009 -0.308 2.699 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.097 -0.831 1.793 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -18.893 -2.048 1.126 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -20.336 -0.170 1.703 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -19.922 -2.607 0.357 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -21.374 -0.721 0.935 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.164 -1.940 0.254 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.133 -2.447 -0.550 1.00 0.00 O ATOM 0 H TYR A 85 -19.170 0.201 5.288 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.976 -2.084 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.141 0.764 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.040 -0.448 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.942 -2.554 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.489 0.763 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.767 -3.545 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.326 -0.216 0.866 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.045 -3.422 -0.594 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.745 -1.374 4.712 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.395 -0.964 5.034 1.00 0.00 C ATOM 1264 C LEU A 86 -13.675 -0.759 3.744 1.00 0.00 C ATOM 1265 O LEU A 86 -14.085 -1.328 2.740 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.690 -1.995 5.926 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.361 -2.171 7.294 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -14.082 -3.558 7.864 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.924 -1.082 8.275 1.00 0.00 C ATOM 0 H LEU A 86 -15.805 -2.325 4.349 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.405 -0.037 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.669 -2.956 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.654 -1.690 6.073 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.437 -2.073 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.569 -3.657 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.471 -4.316 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -13.007 -3.693 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.418 -1.237 9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.844 -1.128 8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.198 -0.104 7.879 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.627 0.053 3.800 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.758 0.374 2.696 1.00 0.00 C ATOM 1283 C PHE A 87 -10.327 0.349 3.208 1.00 0.00 C ATOM 1284 O PHE A 87 -10.082 0.752 4.351 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.091 1.762 2.135 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.484 1.909 1.557 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -13.828 1.191 0.400 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.408 2.817 2.109 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.092 1.357 -0.190 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.640 3.037 1.469 1.00 0.00 C ATOM 1291 CZ PHE A 87 -15.999 2.293 0.335 1.00 0.00 C ATOM 0 H PHE A 87 -12.354 0.524 4.663 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.890 -0.351 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.966 2.497 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.366 2.006 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.116 0.507 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.171 3.343 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.367 0.764 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.317 3.786 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 87 -16.963 2.438 -0.130 1.00 0.00 H new ATOM 1301 N MET A 88 -9.386 -0.056 2.357 1.00 0.00 N ATOM 1302 CA MET A 88 -7.975 0.242 2.528 1.00 0.00 C ATOM 1303 C MET A 88 -7.488 0.692 1.162 1.00 0.00 C ATOM 1304 O MET A 88 -7.840 0.075 0.156 1.00 0.00 O ATOM 1305 CB MET A 88 -7.180 -0.984 3.001 1.00 0.00 C ATOM 1306 CG MET A 88 -7.791 -1.673 4.225 1.00 0.00 C ATOM 1307 SD MET A 88 -6.656 -2.763 5.110 1.00 0.00 S ATOM 1308 CE MET A 88 -6.490 -4.087 3.889 1.00 0.00 C ATOM 0 H MET A 88 -9.589 -0.606 1.522 1.00 0.00 H new ATOM 0 HA MET A 88 -7.831 1.005 3.293 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.115 -1.703 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.161 -0.677 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.154 -0.910 4.913 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.658 -2.252 3.906 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.817 -4.854 4.273 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.468 -4.527 3.694 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.084 -3.679 2.963 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.671 1.732 1.109 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.970 2.164 -0.091 1.00 0.00 C ATOM 1320 C VAL A 89 -4.573 1.524 -0.050 1.00 0.00 C ATOM 1321 O VAL A 89 -3.927 1.501 1.004 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.903 3.709 -0.123 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.290 4.219 -1.434 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.288 4.361 0.034 1.00 0.00 C ATOM 0 H VAL A 89 -6.471 2.315 1.922 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.485 1.851 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.275 3.990 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.259 5.308 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.278 3.828 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.897 3.883 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.185 5.446 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.937 4.036 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.724 4.064 0.988 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.081 1.041 -1.186 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.702 0.616 -1.403 1.00 0.00 C ATOM 1336 C ARG A 90 -2.174 1.483 -2.526 1.00 0.00 C ATOM 1337 O ARG A 90 -2.930 1.824 -3.433 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.648 -0.863 -1.829 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.580 -1.865 -0.662 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.705 -3.270 -1.264 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.281 -4.361 -0.376 1.00 0.00 N ATOM 1342 CZ ARG A 90 -2.422 -5.653 -0.701 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -3.428 -6.077 -1.459 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -1.508 -6.518 -0.291 1.00 0.00 N ATOM 0 H ARG A 90 -4.659 0.930 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.114 0.717 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.529 -1.086 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.778 -1.011 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.640 -1.761 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.382 -1.679 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.744 -3.436 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.112 -3.313 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.863 -4.125 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.118 -5.412 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.510 -7.067 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.714 -6.197 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.598 -7.506 -0.528 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.894 1.821 -2.503 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.210 2.298 -3.687 1.00 0.00 C ATOM 1360 C ALA A 91 0.321 1.083 -4.443 1.00 0.00 C ATOM 1361 O ALA A 91 0.432 -0.014 -3.894 1.00 0.00 O ATOM 1362 CB ALA A 91 0.907 3.258 -3.288 1.00 0.00 C ATOM 0 H ALA A 91 -0.308 1.772 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.887 2.851 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.418 3.614 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.483 4.106 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.619 2.741 -2.645 1.00 0.00 H new ATOM 1368 N ILE A 92 0.679 1.300 -5.698 1.00 0.00 N ATOM 1369 CA ILE A 92 1.313 0.351 -6.595 1.00 0.00 C ATOM 1370 C ILE A 92 2.578 0.978 -7.157 1.00 0.00 C ATOM 1371 O ILE A 92 2.673 2.199 -7.311 1.00 0.00 O ATOM 1372 CB ILE A 92 0.280 -0.113 -7.655 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.069 -1.557 -7.291 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.712 -0.002 -9.119 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.255 -2.108 -8.069 1.00 0.00 C ATOM 0 H ILE A 92 0.524 2.203 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 92 1.632 -0.555 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.573 0.565 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.800 -2.189 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.287 -1.612 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.093 -0.356 -9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.935 1.039 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.602 -0.610 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.447 -3.136 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.136 -1.499 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.033 -2.085 -9.136 1.00 0.00 H new ATOM 1387 N ASN A 93 3.554 0.134 -7.477 1.00 0.00 N ATOM 1388 CA ASN A 93 4.904 0.540 -7.859 1.00 0.00 C ATOM 1389 C ASN A 93 5.555 -0.542 -8.731 1.00 0.00 C ATOM 1390 O ASN A 93 4.987 -1.627 -8.874 1.00 0.00 O ATOM 1391 CB ASN A 93 5.690 0.912 -6.581 1.00 0.00 C ATOM 1392 CG ASN A 93 6.890 0.054 -6.183 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.865 -1.160 -6.294 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.948 0.670 -5.680 1.00 0.00 N ATOM 0 H ASN A 93 3.425 -0.878 -7.478 1.00 0.00 H new ATOM 0 HA ASN A 93 4.894 1.433 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.040 1.938 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.988 0.906 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.758 0.128 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.953 1.686 -5.594 1.00 0.00 H new ATOM 1401 N PRO A 94 6.715 -0.276 -9.354 1.00 0.00 N ATOM 1402 CA PRO A 94 7.350 -1.204 -10.285 1.00 0.00 C ATOM 1403 C PRO A 94 8.021 -2.430 -9.628 1.00 0.00 C ATOM 1404 O PRO A 94 8.833 -3.100 -10.264 1.00 0.00 O ATOM 1405 CB PRO A 94 8.276 -0.348 -11.153 1.00 0.00 C ATOM 1406 CG PRO A 94 8.550 0.912 -10.340 1.00 0.00 C ATOM 1407 CD PRO A 94 7.401 1.007 -9.337 1.00 0.00 C ATOM 0 HA PRO A 94 6.600 -1.701 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.201 -0.878 -11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.806 -0.105 -12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.512 0.849 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.586 1.793 -10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.778 1.230 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.719 1.813 -9.607 1.00 0.00 H new ATOM 1415 N GLN A 95 7.668 -2.775 -8.390 1.00 0.00 N ATOM 1416 CA GLN A 95 7.982 -4.032 -7.722 1.00 0.00 C ATOM 1417 C GLN A 95 6.715 -4.658 -7.166 1.00 0.00 C ATOM 1418 O GLN A 95 6.385 -5.785 -7.523 1.00 0.00 O ATOM 1419 CB GLN A 95 9.010 -3.822 -6.600 1.00 0.00 C ATOM 1420 CG GLN A 95 10.402 -3.727 -7.211 1.00 0.00 C ATOM 1421 CD GLN A 95 11.499 -3.937 -6.175 1.00 0.00 C ATOM 1422 OE1 GLN A 95 12.210 -3.007 -5.814 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.689 -5.158 -5.697 1.00 0.00 N ATOM 0 H GLN A 95 7.125 -2.148 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 95 8.420 -4.708 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.780 -2.913 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.966 -4.648 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.502 -4.472 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.527 -2.750 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.091 -5.925 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.433 -5.331 -5.021 1.00 0.00 H new ATOM 1432 N GLY A 96 6.022 -3.940 -6.295 1.00 0.00 N ATOM 1433 CA GLY A 96 4.891 -4.470 -5.542 1.00 0.00 C ATOM 1434 C GLY A 96 3.800 -3.445 -5.260 1.00 0.00 C ATOM 1435 O GLY A 96 3.838 -2.306 -5.735 1.00 0.00 O ATOM 0 H GLY A 96 6.230 -2.963 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.458 -5.304 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.253 -4.870 -4.595 1.00 0.00 H new ATOM 1439 N LEU A 97 2.814 -3.857 -4.455 1.00 0.00 N ATOM 1440 CA LEU A 97 1.917 -2.923 -3.790 1.00 0.00 C ATOM 1441 C LEU A 97 2.651 -2.421 -2.545 1.00 0.00 C ATOM 1442 O LEU A 97 3.521 -3.120 -2.022 1.00 0.00 O ATOM 1443 CB LEU A 97 0.584 -3.584 -3.373 1.00 0.00 C ATOM 1444 CG LEU A 97 -0.139 -4.363 -4.496 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.216 -5.857 -4.160 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.568 -3.869 -4.744 1.00 0.00 C ATOM 0 H LEU A 97 2.622 -4.838 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 97 1.662 -2.114 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.778 -4.266 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.086 -2.810 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 97 0.453 -4.193 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.729 -6.385 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.792 -6.257 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.766 -5.993 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.022 -4.455 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.155 -3.982 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.545 -2.818 -5.033 1.00 0.00 H new ATOM 1458 N SER A 98 2.272 -1.254 -2.034 1.00 0.00 N ATOM 1459 CA SER A 98 2.801 -0.700 -0.795 1.00 0.00 C ATOM 1460 C SER A 98 2.268 -1.494 0.394 1.00 0.00 C ATOM 1461 O SER A 98 1.332 -2.294 0.255 1.00 0.00 O ATOM 1462 CB SER A 98 2.444 0.787 -0.674 1.00 0.00 C ATOM 1463 OG SER A 98 1.044 0.984 -0.569 1.00 0.00 O ATOM 0 H SER A 98 1.575 -0.656 -2.479 1.00 0.00 H new ATOM 0 HA SER A 98 3.888 -0.779 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.937 1.210 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.823 1.324 -1.544 1.00 0.00 H new ATOM 0 HG SER A 98 0.744 0.726 0.328 1.00 0.00 H new ATOM 1469 N ASP A 99 2.842 -1.265 1.577 1.00 0.00 N ATOM 1470 CA ASP A 99 2.076 -1.443 2.809 1.00 0.00 C ATOM 1471 C ASP A 99 0.659 -0.869 2.596 1.00 0.00 C ATOM 1472 O ASP A 99 0.509 0.170 1.934 1.00 0.00 O ATOM 1473 CB ASP A 99 2.709 -0.661 3.969 1.00 0.00 C ATOM 1474 CG ASP A 99 3.997 -1.224 4.563 1.00 0.00 C ATOM 1475 OD1 ASP A 99 4.763 -1.953 3.894 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.280 -0.837 5.718 1.00 0.00 O ATOM 0 H ASP A 99 3.808 -0.964 1.706 1.00 0.00 H new ATOM 0 HA ASP A 99 2.057 -2.506 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.910 0.353 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.972 -0.585 4.769 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.394 -1.496 3.136 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.733 -0.935 3.069 1.00 0.00 C ATOM 1483 C PRO A 100 -1.808 0.307 3.962 1.00 0.00 C ATOM 1484 O PRO A 100 -1.059 0.439 4.935 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.653 -2.056 3.559 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.768 -2.809 4.554 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.369 -2.697 3.952 1.00 0.00 C ATOM 0 HA PRO A 100 -2.019 -0.611 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.552 -1.663 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.979 -2.698 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.813 -2.363 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.077 -3.849 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.389 -2.626 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.128 -3.575 3.352 1.00 0.00 H new ATOM 1495 N SER A 101 -2.744 1.205 3.669 1.00 0.00 N ATOM 1496 CA SER A 101 -3.134 2.248 4.611 1.00 0.00 C ATOM 1497 C SER A 101 -3.869 1.631 5.818 1.00 0.00 C ATOM 1498 O SER A 101 -4.296 0.470 5.769 1.00 0.00 O ATOM 1499 CB SER A 101 -4.002 3.299 3.903 1.00 0.00 C ATOM 1500 OG SER A 101 -4.981 2.701 3.091 1.00 0.00 O ATOM 0 H SER A 101 -3.248 1.231 2.783 1.00 0.00 H new ATOM 0 HA SER A 101 -2.239 2.746 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.484 3.934 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.369 3.944 3.294 1.00 0.00 H new ATOM 0 HG SER A 101 -4.626 2.581 2.185 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.054 2.399 6.903 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.024 2.075 7.945 1.00 0.00 C ATOM 1508 C PRO A 102 -6.430 1.877 7.353 1.00 0.00 C ATOM 1509 O PRO A 102 -6.808 2.603 6.428 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.020 3.292 8.874 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.730 4.052 8.582 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.379 3.661 7.158 1.00 0.00 C ATOM 0 HA PRO A 102 -4.766 1.148 8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.891 3.922 8.693 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.061 2.983 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.873 5.129 8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.938 3.774 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.705 4.426 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.301 3.556 7.038 1.00 0.00 H new ATOM 1520 N MET A 103 -7.240 0.976 7.927 1.00 0.00 N ATOM 1521 CA MET A 103 -8.646 0.857 7.536 1.00 0.00 C ATOM 1522 C MET A 103 -9.376 2.174 7.791 1.00 0.00 C ATOM 1523 O MET A 103 -9.133 2.851 8.793 1.00 0.00 O ATOM 1524 CB MET A 103 -9.370 -0.293 8.267 1.00 0.00 C ATOM 1525 CG MET A 103 -9.401 -1.547 7.391 1.00 0.00 C ATOM 1526 SD MET A 103 -10.496 -2.881 7.910 1.00 0.00 S ATOM 1527 CE MET A 103 -9.590 -3.604 9.296 1.00 0.00 C ATOM 0 H MET A 103 -6.947 0.326 8.656 1.00 0.00 H new ATOM 0 HA MET A 103 -8.661 0.624 6.471 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.863 -0.511 9.207 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.387 0.009 8.516 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.686 -1.248 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.388 -1.944 7.332 1.00 0.00 H new ATOM 0 HE1 MET A 103 -10.158 -4.439 9.707 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.620 -3.961 8.950 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.444 -2.849 10.069 1.00 0.00 H new ATOM 1537 N SER A 104 -10.325 2.493 6.913 1.00 0.00 N ATOM 1538 CA SER A 104 -11.098 3.730 6.890 1.00 0.00 C ATOM 1539 C SER A 104 -11.978 3.969 8.115 1.00 0.00 C ATOM 1540 O SER A 104 -12.509 5.070 8.258 1.00 0.00 O ATOM 1541 CB SER A 104 -12.010 3.648 5.656 1.00 0.00 C ATOM 1542 OG SER A 104 -12.800 2.463 5.681 1.00 0.00 O ATOM 0 H SER A 104 -10.588 1.860 6.158 1.00 0.00 H new ATOM 0 HA SER A 104 -10.388 4.557 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.660 4.522 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.404 3.666 4.750 1.00 0.00 H new ATOM 0 HG SER A 104 -13.505 2.554 6.356 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.148 2.955 8.966 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.302 2.750 9.849 1.00 0.00 C ATOM 1550 C ASP A 105 -14.541 2.385 8.999 1.00 0.00 C ATOM 1551 O ASP A 105 -14.547 2.660 7.793 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.525 3.987 10.742 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.984 3.686 12.157 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -13.553 2.678 12.753 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.666 4.547 12.757 1.00 0.00 O ATOM 0 H ASP A 105 -11.451 2.217 9.064 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.114 1.916 10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.595 4.553 10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.265 4.631 10.266 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.563 1.705 9.553 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.685 1.206 8.769 1.00 0.00 C ATOM 1562 C PRO A 106 -17.652 2.336 8.395 1.00 0.00 C ATOM 1563 O PRO A 106 -18.477 2.750 9.218 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.336 0.102 9.606 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.900 0.375 11.037 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.639 1.219 10.920 1.00 0.00 C ATOM 0 HA PRO A 106 -16.360 0.798 7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.422 0.127 9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.011 -0.885 9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.676 0.903 11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.703 -0.554 11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.669 2.052 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.757 0.627 11.166 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.575 2.830 7.155 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.619 3.693 6.606 1.00 0.00 C ATOM 1576 C VAL A 107 -19.896 2.863 6.436 1.00 0.00 C ATOM 1577 O VAL A 107 -19.845 1.636 6.384 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.168 4.338 5.272 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.009 3.328 4.128 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.103 5.468 4.816 1.00 0.00 C ATOM 0 H VAL A 107 -16.802 2.646 6.516 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.817 4.516 7.292 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.186 4.756 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.691 3.849 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.260 2.584 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -18.962 2.832 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.740 5.884 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.109 5.073 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.125 6.250 5.575 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.022 3.536 6.234 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.312 3.003 5.839 1.00 0.00 C ATOM 1592 C ARG A 108 -22.779 3.784 4.620 1.00 0.00 C ATOM 1593 O ARG A 108 -22.596 5.001 4.578 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.267 3.259 7.005 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.553 2.430 6.950 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.690 3.280 7.509 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.726 2.476 8.165 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.846 2.954 8.714 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -28.150 4.242 8.591 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.641 2.149 9.400 1.00 0.00 N ATOM 0 H ARG A 108 -21.055 4.549 6.353 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.269 1.940 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.749 3.045 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.529 4.317 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.770 2.132 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.441 1.515 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.285 3.997 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.140 3.855 6.700 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.579 1.467 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -27.528 4.866 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -29.005 4.606 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.398 1.164 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -29.496 2.513 9.820 1.00 0.00 H new ATOM 1614 N THR A 109 -23.397 3.140 3.642 1.00 0.00 N ATOM 1615 CA THR A 109 -24.166 3.863 2.639 1.00 0.00 C ATOM 1616 C THR A 109 -25.480 4.340 3.250 1.00 0.00 C ATOM 1617 O THR A 109 -25.954 3.806 4.256 1.00 0.00 O ATOM 1618 CB THR A 109 -24.434 2.939 1.445 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.856 1.669 1.904 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.196 2.758 0.570 1.00 0.00 C ATOM 0 H THR A 109 -23.382 2.127 3.521 1.00 0.00 H new ATOM 0 HA THR A 109 -23.605 4.732 2.296 1.00 0.00 H new ATOM 0 HB THR A 109 -25.213 3.408 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.566 0.979 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.433 2.096 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.878 3.727 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.392 2.322 1.163 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.106 5.325 2.606 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.420 5.794 3.021 1.00 0.00 C ATOM 1630 C GLN A 110 -28.463 4.701 2.780 1.00 0.00 C ATOM 1631 O GLN A 110 -28.250 3.757 2.011 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.817 7.076 2.281 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.720 8.147 2.306 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.204 9.468 1.700 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.075 9.475 0.831 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.656 10.601 2.108 1.00 0.00 N ATOM 0 H GLN A 110 -25.721 5.811 1.796 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.376 6.024 4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -28.055 6.832 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.724 7.482 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.398 8.314 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.850 7.790 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.934 10.588 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.955 11.488 1.702 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.637 4.878 3.379 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.724 3.880 3.421 1.00 0.00 C ATOM 1647 C ASP A 111 -31.667 3.997 2.235 1.00 0.00 C ATOM 1648 O ASP A 111 -32.891 3.918 2.328 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.487 3.974 4.727 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.312 2.706 5.020 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -32.232 1.705 4.271 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.010 2.657 6.060 1.00 0.00 O ATOM 0 H ASP A 111 -29.874 5.742 3.866 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.257 2.897 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -30.785 4.143 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.152 4.837 4.694 1.00 0.00 H new ATOM 1657 N SER A 112 -31.040 4.254 1.102 1.00 0.00 N ATOM 1658 CA SER A 112 -31.647 4.547 -0.186 1.00 0.00 C ATOM 1659 C SER A 112 -32.414 5.875 -0.143 1.00 0.00 C ATOM 1660 O SER A 112 -31.919 6.864 -0.691 1.00 0.00 O ATOM 1661 CB SER A 112 -32.424 3.324 -0.680 1.00 0.00 C ATOM 1662 OG SER A 112 -32.917 3.488 -1.988 1.00 0.00 O ATOM 0 H SER A 112 -30.021 4.265 1.053 1.00 0.00 H new ATOM 0 HA SER A 112 -30.887 4.721 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.775 2.449 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 112 -33.256 3.129 -0.004 1.00 0.00 H new ATOM 0 HG SER A 112 -33.403 2.681 -2.258 1.00 0.00 H new ATOM 1668 N GLY A 113 -33.553 5.926 0.542 1.00 0.00 N ATOM 1669 CA GLY A 113 -34.470 7.054 0.569 1.00 0.00 C ATOM 1670 C GLY A 113 -35.268 7.036 1.868 1.00 0.00 C ATOM 1671 O GLY A 113 -36.420 6.598 1.855 1.00 0.00 O ATOM 0 H GLY A 113 -33.873 5.147 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -33.915 7.988 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -35.146 7.006 -0.285 1.00 0.00 H new ATOM 1675 N PRO A 114 -34.679 7.436 3.009 1.00 0.00 N ATOM 1676 CA PRO A 114 -35.417 7.657 4.244 1.00 0.00 C ATOM 1677 C PRO A 114 -36.296 8.902 4.054 1.00 0.00 C ATOM 1678 O PRO A 114 -35.882 10.027 4.352 1.00 0.00 O ATOM 1679 CB PRO A 114 -34.350 7.796 5.334 1.00 0.00 C ATOM 1680 CG PRO A 114 -33.149 8.372 4.586 1.00 0.00 C ATOM 1681 CD PRO A 114 -33.273 7.768 3.187 1.00 0.00 C ATOM 0 HA PRO A 114 -36.096 6.851 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -34.679 8.458 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -34.115 6.835 5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -33.180 9.461 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -32.209 8.092 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -32.941 8.476 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -32.648 6.880 3.090 1.00 0.00 H new ATOM 1689 N SER A 115 -37.497 8.696 3.508 1.00 0.00 N ATOM 1690 CA SER A 115 -38.340 9.726 2.902 1.00 0.00 C ATOM 1691 C SER A 115 -37.616 10.481 1.769 1.00 0.00 C ATOM 1692 O SER A 115 -36.490 10.149 1.391 1.00 0.00 O ATOM 1693 CB SER A 115 -38.927 10.643 3.988 1.00 0.00 C ATOM 1694 OG SER A 115 -39.612 9.863 4.949 1.00 0.00 O ATOM 0 H SER A 115 -37.924 7.770 3.475 1.00 0.00 H new ATOM 0 HA SER A 115 -39.184 9.241 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 115 -38.130 11.212 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 115 -39.608 11.365 3.539 1.00 0.00 H new ATOM 0 HG SER A 115 -39.984 10.449 5.641 1.00 0.00 H new ATOM 1700 N SER A 116 -38.290 11.478 1.189 1.00 0.00 N ATOM 1701 CA SER A 116 -37.763 12.357 0.152 1.00 0.00 C ATOM 1702 C SER A 116 -37.770 13.779 0.720 1.00 0.00 C ATOM 1703 O SER A 116 -38.478 14.654 0.221 1.00 0.00 O ATOM 1704 CB SER A 116 -38.593 12.182 -1.133 1.00 0.00 C ATOM 1705 OG SER A 116 -38.226 13.129 -2.119 1.00 0.00 O ATOM 0 H SER A 116 -39.253 11.700 1.441 1.00 0.00 H new ATOM 0 HA SER A 116 -36.738 12.117 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 116 -38.452 11.174 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 116 -39.653 12.289 -0.901 1.00 0.00 H new ATOM 0 HG SER A 116 -38.277 14.032 -1.741 1.00 0.00 H new ATOM 1711 N GLY A 117 -37.007 13.976 1.789 1.00 0.00 N ATOM 1712 CA GLY A 117 -37.023 15.134 2.655 1.00 0.00 C ATOM 1713 C GLY A 117 -36.454 14.657 3.971 1.00 0.00 C ATOM 1714 O GLY A 117 -35.682 15.410 4.600 1.00 0.00 O ATOM 0 H GLY A 117 -36.320 13.284 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -36.425 15.944 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -38.036 15.517 2.780 1.00 0.00 H new TER 1718 GLY A 117