USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 48 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.6!) USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 ASN : amide:sc= -11.4! C(o=-11!,f=-17!) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.0144 K(o=-11,f=-18!) USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0.0124 USER MOD Set 3.2: A 36 THR OG1 : rot 114:sc= 0.012 USER MOD Set 4.1: A 16 ASN : amide:sc= -5.29! C(o=-4.3!,f=-12!) USER MOD Set 4.2: A 18 THR OG1 : rot 87:sc= 0.951 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 130:sc= -0.532 USER MOD Single : A 10 ASN : amide:sc= -0.659 K(o=-0.66,f=-8.5!) USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.133) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.602! F(o=-2,f=-0.6!) USER MOD Single : A 49 SER OG : rot 79:sc= 0.824 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 168:sc= -0.429 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.609 11.291 8.534 1.00 0.00 N ATOM 44 CA LYS A 4 -0.125 10.077 8.851 1.00 0.00 C ATOM 45 C LYS A 4 -0.450 9.330 7.556 1.00 0.00 C ATOM 46 O LYS A 4 -1.522 9.513 6.981 1.00 0.00 O ATOM 47 CB LYS A 4 -1.357 10.402 9.699 1.00 0.00 C ATOM 48 CG LYS A 4 -1.025 10.344 11.192 1.00 0.00 C ATOM 49 CD LYS A 4 -1.236 11.707 11.854 1.00 0.00 C ATOM 50 CE LYS A 4 -2.688 11.877 12.307 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.757 12.735 13.511 1.00 0.00 N ATOM 0 HA LYS A 4 0.486 9.410 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.727 11.395 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.156 9.696 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.653 9.598 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.009 10.027 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.570 11.806 12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.974 12.500 11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.277 12.319 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.125 10.902 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.749 12.841 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.212 12.297 14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.359 13.671 13.294 1.00 0.00 H new ATOM 65 N LEU A 5 0.495 8.503 7.135 1.00 0.00 N ATOM 66 CA LEU A 5 0.323 7.726 5.918 1.00 0.00 C ATOM 67 C LEU A 5 1.507 6.772 5.755 1.00 0.00 C ATOM 68 O LEU A 5 2.619 7.076 6.188 1.00 0.00 O ATOM 69 CB LEU A 5 0.109 8.652 4.718 1.00 0.00 C ATOM 70 CG LEU A 5 1.300 9.527 4.326 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.875 10.628 3.351 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.996 10.096 5.565 1.00 0.00 C ATOM 0 H LEU A 5 1.383 8.353 7.614 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.575 7.111 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.167 8.042 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.739 9.302 4.933 1.00 0.00 H new ATOM 0 HG LEU A 5 2.027 8.901 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.741 11.236 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.462 10.176 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.119 11.257 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.839 10.714 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.290 10.702 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.355 9.277 6.189 1.00 0.00 H new ATOM 84 N TYR A 6 1.230 5.637 5.131 1.00 0.00 N ATOM 85 CA TYR A 6 2.259 4.636 4.906 1.00 0.00 C ATOM 86 C TYR A 6 1.999 3.865 3.610 1.00 0.00 C ATOM 87 O TYR A 6 0.865 3.485 3.326 1.00 0.00 O ATOM 88 CB TYR A 6 2.172 3.668 6.087 1.00 0.00 C ATOM 89 CG TYR A 6 3.443 2.848 6.315 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.675 3.470 6.314 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.357 1.486 6.520 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.871 2.698 6.530 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.554 0.714 6.735 1.00 0.00 C ATOM 94 CZ TYR A 6 5.752 1.358 6.728 1.00 0.00 C ATOM 95 OH TYR A 6 6.882 0.628 6.931 1.00 0.00 O ATOM 0 H TYR A 6 0.308 5.388 4.774 1.00 0.00 H new ATOM 0 HA TYR A 6 3.239 5.105 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.950 4.234 6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.337 2.987 5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.742 4.536 6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.393 0.999 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.841 3.173 6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.501 -0.352 6.898 1.00 0.00 H new ATOM 0 HH TYR A 6 6.771 0.068 7.728 1.00 0.00 H new ATOM 105 N GLY A 7 3.071 3.658 2.858 1.00 0.00 N ATOM 106 CA GLY A 7 2.973 2.939 1.599 1.00 0.00 C ATOM 107 C GLY A 7 2.001 3.635 0.644 1.00 0.00 C ATOM 108 O GLY A 7 1.115 2.995 0.079 1.00 0.00 O ATOM 0 H GLY A 7 4.011 3.975 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.958 2.873 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.638 1.918 1.784 1.00 0.00 H new ATOM 112 N ASP A 8 2.198 4.936 0.495 1.00 0.00 N ATOM 113 CA ASP A 8 1.349 5.726 -0.381 1.00 0.00 C ATOM 114 C ASP A 8 1.881 5.640 -1.813 1.00 0.00 C ATOM 115 O ASP A 8 3.039 5.965 -2.069 1.00 0.00 O ATOM 116 CB ASP A 8 1.346 7.199 0.034 1.00 0.00 C ATOM 117 CG ASP A 8 -0.034 7.858 0.068 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.917 7.364 -0.667 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.174 8.842 0.826 1.00 0.00 O ATOM 0 H ASP A 8 2.933 5.463 0.966 1.00 0.00 H new ATOM 0 HA ASP A 8 0.335 5.331 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.797 7.283 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.981 7.756 -0.654 1.00 0.00 H new ATOM 124 N VAL A 9 1.010 5.199 -2.709 1.00 0.00 N ATOM 125 CA VAL A 9 1.378 5.066 -4.108 1.00 0.00 C ATOM 126 C VAL A 9 1.391 6.450 -4.762 1.00 0.00 C ATOM 127 O VAL A 9 2.426 6.902 -5.247 1.00 0.00 O ATOM 128 CB VAL A 9 0.435 4.084 -4.806 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.389 4.346 -6.313 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.837 2.637 -4.513 1.00 0.00 C ATOM 0 H VAL A 9 0.050 4.929 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 9 2.383 4.653 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.568 4.241 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.288 3.635 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.035 5.361 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.388 4.230 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.151 1.959 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.852 2.462 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.795 2.458 -3.439 1.00 0.00 H new ATOM 140 N ASN A 10 0.227 7.083 -4.753 1.00 0.00 N ATOM 141 CA ASN A 10 0.090 8.405 -5.339 1.00 0.00 C ATOM 142 C ASN A 10 0.051 9.451 -4.223 1.00 0.00 C ATOM 143 O ASN A 10 -0.564 10.505 -4.376 1.00 0.00 O ATOM 144 CB ASN A 10 -1.207 8.521 -6.142 1.00 0.00 C ATOM 145 CG ASN A 10 -2.366 7.838 -5.412 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.305 7.552 -4.228 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.421 7.593 -6.184 1.00 0.00 N ATOM 0 H ASN A 10 -0.630 6.705 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 10 0.939 8.569 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.445 9.572 -6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.073 8.067 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.246 7.139 -5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.405 7.859 -7.169 1.00 0.00 H new ATOM 154 N ASP A 11 0.717 9.124 -3.125 1.00 0.00 N ATOM 155 CA ASP A 11 0.765 10.022 -1.984 1.00 0.00 C ATOM 156 C ASP A 11 -0.649 10.511 -1.665 1.00 0.00 C ATOM 157 O ASP A 11 -0.852 11.691 -1.382 1.00 0.00 O ATOM 158 CB ASP A 11 1.634 11.246 -2.283 1.00 0.00 C ATOM 159 CG ASP A 11 3.036 10.932 -2.808 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.586 9.897 -2.373 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.526 11.733 -3.632 1.00 0.00 O ATOM 0 H ASP A 11 1.228 8.250 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 11 1.190 9.475 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.119 11.868 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.728 11.837 -1.372 1.00 0.00 H new ATOM 166 N ASP A 12 -1.589 9.580 -1.720 1.00 0.00 N ATOM 167 CA ASP A 12 -2.979 9.901 -1.440 1.00 0.00 C ATOM 168 C ASP A 12 -3.291 9.563 0.019 1.00 0.00 C ATOM 169 O ASP A 12 -3.807 10.402 0.757 1.00 0.00 O ATOM 170 CB ASP A 12 -3.922 9.087 -2.327 1.00 0.00 C ATOM 171 CG ASP A 12 -5.349 8.945 -1.794 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.551 8.049 -0.946 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.206 9.734 -2.246 1.00 0.00 O ATOM 0 H ASP A 12 -1.416 8.602 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.127 10.963 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.963 9.553 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.500 8.091 -2.462 1.00 0.00 H new ATOM 178 N GLY A 13 -2.967 8.334 0.390 1.00 0.00 N ATOM 179 CA GLY A 13 -3.208 7.875 1.749 1.00 0.00 C ATOM 180 C GLY A 13 -2.406 6.606 2.047 1.00 0.00 C ATOM 181 O GLY A 13 -1.760 6.508 3.090 1.00 0.00 O ATOM 0 H GLY A 13 -2.540 7.641 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.933 8.658 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.271 7.679 1.888 1.00 0.00 H new ATOM 185 N LYS A 14 -2.475 5.667 1.116 1.00 0.00 N ATOM 186 CA LYS A 14 -1.764 4.409 1.266 1.00 0.00 C ATOM 187 C LYS A 14 -1.946 3.570 0.000 1.00 0.00 C ATOM 188 O LYS A 14 -2.659 3.973 -0.919 1.00 0.00 O ATOM 189 CB LYS A 14 -2.205 3.694 2.545 1.00 0.00 C ATOM 190 CG LYS A 14 -3.680 3.970 2.847 1.00 0.00 C ATOM 191 CD LYS A 14 -4.558 3.646 1.636 1.00 0.00 C ATOM 192 CE LYS A 14 -5.999 4.105 1.864 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.222 5.436 1.258 1.00 0.00 N ATOM 0 H LYS A 14 -3.013 5.752 0.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.695 4.588 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.046 2.621 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.590 4.026 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.998 3.372 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.808 5.016 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.154 4.133 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.540 2.573 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.690 3.382 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.209 4.146 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.842 5.999 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.310 5.924 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.671 5.323 0.327 1.00 0.00 H new ATOM 207 N VAL A 15 -1.289 2.420 -0.009 1.00 0.00 N ATOM 208 CA VAL A 15 -1.369 1.520 -1.147 1.00 0.00 C ATOM 209 C VAL A 15 -2.463 0.481 -0.895 1.00 0.00 C ATOM 210 O VAL A 15 -2.297 -0.413 -0.068 1.00 0.00 O ATOM 211 CB VAL A 15 0.000 0.893 -1.416 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.507 0.136 -0.187 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.047 -0.021 -2.642 1.00 0.00 C ATOM 0 H VAL A 15 -0.698 2.090 0.754 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.643 2.068 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 15 0.702 1.699 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.482 -0.300 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.597 0.825 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.196 -0.657 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.939 -0.454 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.770 -0.819 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.344 0.558 -3.516 1.00 0.00 H new ATOM 223 N ASN A 16 -3.559 0.635 -1.625 1.00 0.00 N ATOM 224 CA ASN A 16 -4.682 -0.279 -1.491 1.00 0.00 C ATOM 225 C ASN A 16 -5.389 -0.413 -2.840 1.00 0.00 C ATOM 226 O ASN A 16 -4.904 0.092 -3.852 1.00 0.00 O ATOM 227 CB ASN A 16 -5.698 0.242 -0.473 1.00 0.00 C ATOM 228 CG ASN A 16 -6.259 1.599 -0.904 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.409 1.732 -1.286 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.384 2.597 -0.821 1.00 0.00 N ATOM 0 H ASN A 16 -3.693 1.378 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.295 -1.241 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.512 -0.475 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.224 0.334 0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.662 3.542 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.435 2.417 -0.493 1.00 0.00 H new ATOM 237 N SER A 17 -6.525 -1.094 -2.812 1.00 0.00 N ATOM 238 CA SER A 17 -7.304 -1.300 -4.021 1.00 0.00 C ATOM 239 C SER A 17 -7.514 0.033 -4.742 1.00 0.00 C ATOM 240 O SER A 17 -7.773 0.059 -5.944 1.00 0.00 O ATOM 241 CB SER A 17 -8.653 -1.950 -3.703 1.00 0.00 C ATOM 242 OG SER A 17 -9.551 -1.881 -4.806 1.00 0.00 O ATOM 0 H SER A 17 -6.925 -1.510 -1.971 1.00 0.00 H new ATOM 0 HA SER A 17 -6.751 -1.975 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.497 -2.993 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.099 -1.455 -2.840 1.00 0.00 H new ATOM 0 HG SER A 17 -10.400 -2.308 -4.564 1.00 0.00 H new ATOM 248 N THR A 18 -7.395 1.108 -3.976 1.00 0.00 N ATOM 249 CA THR A 18 -7.569 2.441 -4.526 1.00 0.00 C ATOM 250 C THR A 18 -6.400 2.794 -5.448 1.00 0.00 C ATOM 251 O THR A 18 -6.603 3.326 -6.539 1.00 0.00 O ATOM 252 CB THR A 18 -7.739 3.416 -3.360 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.921 2.968 -2.703 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.085 4.832 -3.825 1.00 0.00 C ATOM 0 H THR A 18 -7.180 1.082 -2.979 1.00 0.00 H new ATOM 0 HA THR A 18 -8.462 2.498 -5.148 1.00 0.00 H new ATOM 0 HB THR A 18 -6.821 3.442 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.689 2.279 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.195 5.483 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.287 5.210 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.020 4.813 -4.385 1.00 0.00 H new ATOM 262 N ASP A 19 -5.201 2.484 -4.976 1.00 0.00 N ATOM 263 CA ASP A 19 -4.000 2.762 -5.744 1.00 0.00 C ATOM 264 C ASP A 19 -3.582 1.502 -6.503 1.00 0.00 C ATOM 265 O ASP A 19 -2.411 1.336 -6.843 1.00 0.00 O ATOM 266 CB ASP A 19 -2.842 3.168 -4.828 1.00 0.00 C ATOM 267 CG ASP A 19 -3.033 4.497 -4.095 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.951 5.242 -4.500 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.256 4.738 -3.147 1.00 0.00 O ATOM 0 H ASP A 19 -5.036 2.043 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.221 3.579 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.690 2.381 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.931 3.226 -5.423 1.00 0.00 H new ATOM 274 N ALA A 20 -4.563 0.645 -6.748 1.00 0.00 N ATOM 275 CA ALA A 20 -4.312 -0.596 -7.462 1.00 0.00 C ATOM 276 C ALA A 20 -3.884 -0.277 -8.896 1.00 0.00 C ATOM 277 O ALA A 20 -2.971 -0.905 -9.429 1.00 0.00 O ATOM 278 CB ALA A 20 -5.562 -1.477 -7.408 1.00 0.00 C ATOM 0 H ALA A 20 -5.533 0.786 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.501 -1.152 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.374 -2.408 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.806 -1.699 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.397 -0.953 -7.873 1.00 0.00 H new ATOM 284 N VAL A 21 -4.565 0.699 -9.479 1.00 0.00 N ATOM 285 CA VAL A 21 -4.267 1.108 -10.841 1.00 0.00 C ATOM 286 C VAL A 21 -2.751 1.097 -11.052 1.00 0.00 C ATOM 287 O VAL A 21 -2.244 0.361 -11.898 1.00 0.00 O ATOM 288 CB VAL A 21 -4.900 2.472 -11.127 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.141 3.207 -12.234 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.381 2.324 -11.483 1.00 0.00 C ATOM 0 H VAL A 21 -5.322 1.218 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.700 0.407 -11.554 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.831 3.071 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.611 4.173 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.106 3.359 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.164 2.613 -13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.807 3.307 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.481 1.699 -12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.911 1.860 -10.651 1.00 0.00 H new ATOM 300 N ALA A 22 -2.071 1.921 -10.270 1.00 0.00 N ATOM 301 CA ALA A 22 -0.624 2.015 -10.361 1.00 0.00 C ATOM 302 C ALA A 22 -0.005 0.667 -9.988 1.00 0.00 C ATOM 303 O ALA A 22 0.945 0.216 -10.627 1.00 0.00 O ATOM 304 CB ALA A 22 -0.128 3.151 -9.464 1.00 0.00 C ATOM 0 H ALA A 22 -2.495 2.530 -9.570 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.319 2.248 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.958 3.221 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.574 4.091 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.414 2.951 -8.431 1.00 0.00 H new ATOM 310 N LEU A 23 -0.568 0.058 -8.954 1.00 0.00 N ATOM 311 CA LEU A 23 -0.084 -1.231 -8.489 1.00 0.00 C ATOM 312 C LEU A 23 0.018 -2.192 -9.676 1.00 0.00 C ATOM 313 O LEU A 23 1.099 -2.688 -9.985 1.00 0.00 O ATOM 314 CB LEU A 23 -0.961 -1.753 -7.349 1.00 0.00 C ATOM 315 CG LEU A 23 -0.412 -2.954 -6.577 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.491 -2.718 -5.067 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.121 -4.244 -6.993 1.00 0.00 C ATOM 0 H LEU A 23 -1.355 0.434 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 23 0.918 -1.133 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.129 -0.939 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.933 -2.024 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 23 0.642 -3.070 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.094 -3.587 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.095 -1.837 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.530 -2.562 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.712 -5.082 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.188 -4.155 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.969 -4.415 -8.059 1.00 0.00 H new ATOM 329 N LYS A 24 -1.123 -2.424 -10.308 1.00 0.00 N ATOM 330 CA LYS A 24 -1.176 -3.316 -11.453 1.00 0.00 C ATOM 331 C LYS A 24 0.033 -3.055 -12.354 1.00 0.00 C ATOM 332 O LYS A 24 0.709 -3.991 -12.778 1.00 0.00 O ATOM 333 CB LYS A 24 -2.520 -3.185 -12.174 1.00 0.00 C ATOM 334 CG LYS A 24 -2.701 -4.301 -13.204 1.00 0.00 C ATOM 335 CD LYS A 24 -4.093 -4.243 -13.836 1.00 0.00 C ATOM 336 CE LYS A 24 -4.385 -5.512 -14.638 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.790 -5.934 -14.450 1.00 0.00 N ATOM 0 H LYS A 24 -2.018 -2.009 -10.049 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.115 -4.355 -11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.332 -3.221 -11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.578 -2.216 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.941 -4.211 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.555 -5.269 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.845 -4.120 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.164 -3.372 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.192 -5.333 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.714 -6.311 -14.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.970 -6.797 -15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.963 -6.125 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.426 -5.177 -14.773 1.00 0.00 H new ATOM 351 N ARG A 25 0.267 -1.779 -12.620 1.00 0.00 N ATOM 352 CA ARG A 25 1.383 -1.383 -13.461 1.00 0.00 C ATOM 353 C ARG A 25 2.707 -1.808 -12.824 1.00 0.00 C ATOM 354 O ARG A 25 3.609 -2.281 -13.514 1.00 0.00 O ATOM 355 CB ARG A 25 1.396 0.131 -13.684 1.00 0.00 C ATOM 356 CG ARG A 25 0.603 0.507 -14.938 1.00 0.00 C ATOM 357 CD ARG A 25 -0.799 1.000 -14.575 1.00 0.00 C ATOM 358 NE ARG A 25 -1.048 2.321 -15.194 1.00 0.00 N ATOM 359 CZ ARG A 25 -1.350 2.499 -16.487 1.00 0.00 C ATOM 360 NH1 ARG A 25 -1.444 1.442 -17.304 1.00 0.00 N ATOM 361 NH2 ARG A 25 -1.561 3.734 -16.962 1.00 0.00 N ATOM 0 H ARG A 25 -0.297 -1.006 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 25 1.263 -1.880 -14.424 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.970 0.634 -12.816 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.424 0.479 -13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.134 1.284 -15.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.529 -0.357 -15.598 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.545 0.283 -14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.899 1.072 -13.492 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.986 3.147 -14.599 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.286 0.502 -16.942 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.674 1.577 -18.288 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.492 4.539 -16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.791 3.869 -17.946 1.00 0.00 H new ATOM 375 N TYR A 26 2.782 -1.624 -11.514 1.00 0.00 N ATOM 376 CA TYR A 26 3.980 -1.983 -10.775 1.00 0.00 C ATOM 377 C TYR A 26 4.309 -3.467 -10.950 1.00 0.00 C ATOM 378 O TYR A 26 5.420 -3.818 -11.344 1.00 0.00 O ATOM 379 CB TYR A 26 3.666 -1.713 -9.302 1.00 0.00 C ATOM 380 CG TYR A 26 4.903 -1.617 -8.409 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.806 -0.588 -8.589 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.117 -2.558 -7.423 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.972 -0.498 -7.747 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.282 -2.467 -6.582 1.00 0.00 C ATOM 385 CZ TYR A 26 7.152 -1.442 -6.785 1.00 0.00 C ATOM 386 OH TYR A 26 8.253 -1.356 -5.991 1.00 0.00 O ATOM 0 H TYR A 26 2.032 -1.231 -10.945 1.00 0.00 H new ATOM 0 HA TYR A 26 4.836 -1.409 -11.132 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.103 -0.783 -9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.021 -2.508 -8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.638 0.149 -9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.411 -3.363 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.687 0.301 -7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.461 -3.197 -5.807 1.00 0.00 H new ATOM 0 HH TYR A 26 8.251 -2.096 -5.348 1.00 0.00 H new ATOM 396 N VAL A 27 3.322 -4.298 -10.648 1.00 0.00 N ATOM 397 CA VAL A 27 3.492 -5.736 -10.767 1.00 0.00 C ATOM 398 C VAL A 27 3.815 -6.088 -12.220 1.00 0.00 C ATOM 399 O VAL A 27 4.724 -6.874 -12.484 1.00 0.00 O ATOM 400 CB VAL A 27 2.248 -6.455 -10.239 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.541 -7.933 -9.972 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.709 -5.768 -8.983 1.00 0.00 C ATOM 0 H VAL A 27 2.402 -4.003 -10.321 1.00 0.00 H new ATOM 0 HA VAL A 27 4.330 -6.074 -10.157 1.00 0.00 H new ATOM 0 HB VAL A 27 1.478 -6.399 -11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.641 -8.421 -9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.856 -8.414 -10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.335 -8.018 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.825 -6.299 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.474 -5.778 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.443 -4.737 -9.218 1.00 0.00 H new ATOM 412 N LEU A 28 3.052 -5.492 -13.124 1.00 0.00 N ATOM 413 CA LEU A 28 3.245 -5.733 -14.544 1.00 0.00 C ATOM 414 C LEU A 28 4.692 -5.406 -14.920 1.00 0.00 C ATOM 415 O LEU A 28 5.352 -6.188 -15.602 1.00 0.00 O ATOM 416 CB LEU A 28 2.208 -4.965 -15.364 1.00 0.00 C ATOM 417 CG LEU A 28 2.036 -5.413 -16.817 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.559 -5.420 -17.218 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.882 -4.554 -17.760 1.00 0.00 C ATOM 0 H LEU A 28 2.298 -4.842 -12.901 1.00 0.00 H new ATOM 0 HA LEU A 28 3.085 -6.786 -14.777 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.244 -5.048 -14.863 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.480 -3.909 -15.360 1.00 0.00 H new ATOM 0 HG LEU A 28 2.398 -6.438 -16.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.465 -5.742 -18.255 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.010 -6.107 -16.574 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.148 -4.416 -17.111 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.741 -4.894 -18.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.574 -3.512 -17.677 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.934 -4.644 -17.489 1.00 0.00 H new ATOM 431 N ARG A 29 5.143 -4.249 -14.457 1.00 0.00 N ATOM 432 CA ARG A 29 6.499 -3.809 -14.737 1.00 0.00 C ATOM 433 C ARG A 29 6.860 -2.612 -13.855 1.00 0.00 C ATOM 434 O ARG A 29 6.070 -2.200 -13.008 1.00 0.00 O ATOM 435 CB ARG A 29 6.659 -3.418 -16.208 1.00 0.00 C ATOM 436 CG ARG A 29 5.495 -2.539 -16.671 1.00 0.00 C ATOM 437 CD ARG A 29 5.680 -1.094 -16.204 1.00 0.00 C ATOM 438 NE ARG A 29 5.630 -0.176 -17.364 1.00 0.00 N ATOM 439 CZ ARG A 29 6.688 0.126 -18.129 1.00 0.00 C ATOM 440 NH1 ARG A 29 7.885 -0.414 -17.859 1.00 0.00 N ATOM 441 NH2 ARG A 29 6.550 0.969 -19.162 1.00 0.00 N ATOM 0 H ARG A 29 4.593 -3.603 -13.890 1.00 0.00 H new ATOM 0 HA ARG A 29 7.170 -4.640 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.600 -2.885 -16.346 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.708 -4.316 -16.824 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.423 -2.567 -17.758 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.558 -2.934 -16.279 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.900 -0.832 -15.489 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.634 -0.989 -15.688 1.00 0.00 H new ATOM 0 HE ARG A 29 4.734 0.254 -17.596 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.990 -1.054 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.691 -0.185 -18.441 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.639 1.381 -19.366 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.356 1.199 -19.744 1.00 0.00 H new ATOM 455 N SER A 30 8.054 -2.086 -14.087 1.00 0.00 N ATOM 456 CA SER A 30 8.530 -0.944 -13.325 1.00 0.00 C ATOM 457 C SER A 30 8.564 0.301 -14.212 1.00 0.00 C ATOM 458 O SER A 30 9.617 0.670 -14.731 1.00 0.00 O ATOM 459 CB SER A 30 9.916 -1.214 -12.736 1.00 0.00 C ATOM 460 OG SER A 30 9.960 -0.958 -11.334 1.00 0.00 O ATOM 0 H SER A 30 8.706 -2.430 -14.792 1.00 0.00 H new ATOM 0 HA SER A 30 7.840 -0.774 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.194 -2.251 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.653 -0.590 -13.242 1.00 0.00 H new ATOM 0 HG SER A 30 10.861 -1.144 -10.996 1.00 0.00 H new ATOM 466 N GLY A 31 7.399 0.914 -14.362 1.00 0.00 N ATOM 467 CA GLY A 31 7.282 2.111 -15.179 1.00 0.00 C ATOM 468 C GLY A 31 6.853 3.312 -14.333 1.00 0.00 C ATOM 469 O GLY A 31 7.610 4.268 -14.178 1.00 0.00 O ATOM 0 H GLY A 31 6.527 0.605 -13.932 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.237 2.323 -15.659 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.555 1.943 -15.974 1.00 0.00 H new ATOM 473 N ILE A 32 5.638 3.223 -13.811 1.00 0.00 N ATOM 474 CA ILE A 32 5.099 4.291 -12.986 1.00 0.00 C ATOM 475 C ILE A 32 6.009 4.502 -11.774 1.00 0.00 C ATOM 476 O ILE A 32 6.934 3.725 -11.545 1.00 0.00 O ATOM 477 CB ILE A 32 3.643 4.001 -12.617 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.524 2.682 -11.852 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.749 4.025 -13.859 1.00 0.00 C ATOM 480 CD1 ILE A 32 3.888 2.870 -10.377 1.00 0.00 C ATOM 0 H ILE A 32 5.012 2.428 -13.943 1.00 0.00 H new ATOM 0 HA ILE A 32 5.083 5.229 -13.541 1.00 0.00 H new ATOM 0 HB ILE A 32 3.294 4.791 -11.952 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.506 2.300 -11.934 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.181 1.937 -12.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.719 3.816 -13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.802 5.008 -14.327 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.088 3.268 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.795 1.918 -9.855 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.914 3.229 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.214 3.598 -9.926 1.00 0.00 H new ATOM 492 N SER A 33 5.715 5.559 -11.031 1.00 0.00 N ATOM 493 CA SER A 33 6.495 5.882 -9.848 1.00 0.00 C ATOM 494 C SER A 33 5.589 5.915 -8.616 1.00 0.00 C ATOM 495 O SER A 33 4.454 6.384 -8.687 1.00 0.00 O ATOM 496 CB SER A 33 7.216 7.223 -10.013 1.00 0.00 C ATOM 497 OG SER A 33 8.614 7.054 -10.230 1.00 0.00 O ATOM 0 H SER A 33 4.948 6.203 -11.225 1.00 0.00 H new ATOM 0 HA SER A 33 7.250 5.107 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.782 7.767 -10.852 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.058 7.831 -9.123 1.00 0.00 H new ATOM 0 HG SER A 33 9.038 7.932 -10.332 1.00 0.00 H new ATOM 503 N ILE A 34 6.124 5.411 -7.514 1.00 0.00 N ATOM 504 CA ILE A 34 5.377 5.377 -6.268 1.00 0.00 C ATOM 505 C ILE A 34 6.352 5.466 -5.092 1.00 0.00 C ATOM 506 O ILE A 34 7.565 5.521 -5.289 1.00 0.00 O ATOM 507 CB ILE A 34 4.469 4.146 -6.221 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.285 2.857 -6.342 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.374 4.232 -7.285 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.858 1.837 -5.285 1.00 0.00 C ATOM 0 H ILE A 34 7.066 5.023 -7.458 1.00 0.00 H new ATOM 0 HA ILE A 34 4.712 6.238 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 34 3.974 4.124 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.154 2.432 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.346 3.082 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.743 3.345 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.767 5.121 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.831 4.292 -8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.453 0.930 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.013 2.257 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.803 1.596 -5.417 1.00 0.00 H new ATOM 522 N ASN A 35 5.785 5.478 -3.894 1.00 0.00 N ATOM 523 CA ASN A 35 6.588 5.560 -2.686 1.00 0.00 C ATOM 524 C ASN A 35 7.120 4.169 -2.337 1.00 0.00 C ATOM 525 O ASN A 35 7.108 3.770 -1.174 1.00 0.00 O ATOM 526 CB ASN A 35 5.756 6.059 -1.503 1.00 0.00 C ATOM 527 CG ASN A 35 4.998 4.907 -0.842 1.00 0.00 C ATOM 528 OD1 ASN A 35 4.782 4.879 0.358 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.608 3.959 -1.690 1.00 0.00 N ATOM 0 H ASN A 35 4.779 5.432 -3.735 1.00 0.00 H new ATOM 0 HA ASN A 35 7.405 6.258 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.407 6.538 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.050 6.816 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.095 3.147 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.822 4.044 -2.684 1.00 0.00 H new ATOM 536 N THR A 36 7.575 3.469 -3.365 1.00 0.00 N ATOM 537 CA THR A 36 8.111 2.130 -3.183 1.00 0.00 C ATOM 538 C THR A 36 8.939 2.059 -1.898 1.00 0.00 C ATOM 539 O THR A 36 9.034 1.003 -1.274 1.00 0.00 O ATOM 540 CB THR A 36 8.903 1.762 -4.438 1.00 0.00 C ATOM 541 OG1 THR A 36 9.769 0.714 -4.007 1.00 0.00 O ATOM 542 CG2 THR A 36 9.856 2.876 -4.878 1.00 0.00 C ATOM 0 H THR A 36 7.584 3.804 -4.328 1.00 0.00 H new ATOM 0 HA THR A 36 7.313 1.397 -3.060 1.00 0.00 H new ATOM 0 HB THR A 36 8.212 1.535 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.524 -0.120 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.393 2.563 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.285 3.779 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.569 3.081 -4.080 1.00 0.00 H new ATOM 550 N ASP A 37 9.519 3.196 -1.542 1.00 0.00 N ATOM 551 CA ASP A 37 10.337 3.276 -0.344 1.00 0.00 C ATOM 552 C ASP A 37 9.639 2.530 0.796 1.00 0.00 C ATOM 553 O ASP A 37 10.042 1.426 1.159 1.00 0.00 O ATOM 554 CB ASP A 37 10.533 4.729 0.093 1.00 0.00 C ATOM 555 CG ASP A 37 11.868 5.354 -0.321 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.218 5.204 -1.512 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.506 5.967 0.561 1.00 0.00 O ATOM 0 H ASP A 37 9.438 4.070 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 37 11.307 2.832 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.724 5.330 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.445 4.781 1.178 1.00 0.00 H new ATOM 562 N ASN A 38 8.605 3.164 1.328 1.00 0.00 N ATOM 563 CA ASN A 38 7.846 2.574 2.419 1.00 0.00 C ATOM 564 C ASN A 38 6.562 1.955 1.865 1.00 0.00 C ATOM 565 O ASN A 38 5.495 2.092 2.461 1.00 0.00 O ATOM 566 CB ASN A 38 7.453 3.632 3.451 1.00 0.00 C ATOM 567 CG ASN A 38 6.987 4.919 2.767 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.624 5.441 1.868 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.842 5.400 3.243 1.00 0.00 N ATOM 0 H ASN A 38 8.274 4.080 1.025 1.00 0.00 H new ATOM 0 HA ASN A 38 8.472 1.820 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.657 3.246 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.303 3.847 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.447 6.256 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.359 4.913 3.998 1.00 0.00 H new ATOM 576 N ALA A 39 6.707 1.285 0.730 1.00 0.00 N ATOM 577 CA ALA A 39 5.571 0.643 0.089 1.00 0.00 C ATOM 578 C ALA A 39 5.200 -0.621 0.866 1.00 0.00 C ATOM 579 O ALA A 39 4.491 -0.551 1.870 1.00 0.00 O ATOM 580 CB ALA A 39 5.910 0.350 -1.374 1.00 0.00 C ATOM 0 H ALA A 39 7.594 1.173 0.238 1.00 0.00 H new ATOM 0 HA ALA A 39 4.702 1.301 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.059 -0.131 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.138 1.283 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.775 -0.311 -1.422 1.00 0.00 H new ATOM 586 N ASP A 40 5.695 -1.746 0.374 1.00 0.00 N ATOM 587 CA ASP A 40 5.423 -3.024 1.010 1.00 0.00 C ATOM 588 C ASP A 40 6.312 -3.173 2.247 1.00 0.00 C ATOM 589 O ASP A 40 7.041 -2.250 2.606 1.00 0.00 O ATOM 590 CB ASP A 40 5.732 -4.187 0.064 1.00 0.00 C ATOM 591 CG ASP A 40 4.898 -5.448 0.296 1.00 0.00 C ATOM 592 OD1 ASP A 40 4.843 -5.885 1.466 1.00 0.00 O ATOM 593 OD2 ASP A 40 4.334 -5.947 -0.702 1.00 0.00 O ATOM 0 H ASP A 40 6.283 -1.800 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 40 4.367 -3.048 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.579 -3.852 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.787 -4.444 0.161 1.00 0.00 H new ATOM 598 N LEU A 41 6.221 -4.341 2.865 1.00 0.00 N ATOM 599 CA LEU A 41 7.007 -4.622 4.054 1.00 0.00 C ATOM 600 C LEU A 41 7.745 -5.949 3.870 1.00 0.00 C ATOM 601 O LEU A 41 8.943 -6.040 4.140 1.00 0.00 O ATOM 602 CB LEU A 41 6.124 -4.577 5.303 1.00 0.00 C ATOM 603 CG LEU A 41 5.453 -3.235 5.604 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.468 -2.091 5.547 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.266 -2.994 4.669 1.00 0.00 C ATOM 0 H LEU A 41 5.615 -5.104 2.565 1.00 0.00 H new ATOM 0 HA LEU A 41 7.765 -3.853 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.347 -5.334 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.732 -4.858 6.163 1.00 0.00 H new ATOM 0 HG LEU A 41 5.061 -3.269 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.966 -1.148 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.252 -2.263 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.910 -2.046 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.807 -2.034 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.612 -2.987 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.532 -3.789 4.801 1.00 0.00 H new ATOM 617 N ASN A 42 7.001 -6.945 3.412 1.00 0.00 N ATOM 618 CA ASN A 42 7.572 -8.263 3.189 1.00 0.00 C ATOM 619 C ASN A 42 8.676 -8.165 2.136 1.00 0.00 C ATOM 620 O ASN A 42 9.500 -9.070 2.008 1.00 0.00 O ATOM 621 CB ASN A 42 6.513 -9.241 2.674 1.00 0.00 C ATOM 622 CG ASN A 42 5.185 -9.049 3.411 1.00 0.00 C ATOM 623 OD1 ASN A 42 5.142 -9.628 4.608 1.00 0.00 O flip ATOM 624 ND2 ASN A 42 4.262 -8.418 2.924 1.00 0.00 N flip ATOM 0 H ASN A 42 6.009 -6.866 3.189 1.00 0.00 H new ATOM 0 HA ASN A 42 7.967 -8.625 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.364 -9.092 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.863 -10.265 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.362 -7.999 1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.390 -8.309 3.441 1.00 0.00 H new ATOM 631 N GLU A 43 8.658 -7.058 1.407 1.00 0.00 N ATOM 632 CA GLU A 43 9.649 -6.830 0.368 1.00 0.00 C ATOM 633 C GLU A 43 9.267 -7.589 -0.905 1.00 0.00 C ATOM 634 O GLU A 43 10.090 -8.303 -1.475 1.00 0.00 O ATOM 635 CB GLU A 43 11.046 -7.228 0.847 1.00 0.00 C ATOM 636 CG GLU A 43 12.117 -6.344 0.206 1.00 0.00 C ATOM 637 CD GLU A 43 13.463 -6.513 0.913 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.875 -7.681 1.080 1.00 0.00 O ATOM 639 OE2 GLU A 43 14.051 -5.469 1.271 1.00 0.00 O ATOM 0 H GLU A 43 7.973 -6.310 1.515 1.00 0.00 H new ATOM 0 HA GLU A 43 9.670 -5.765 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.100 -7.143 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.235 -8.273 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.221 -6.600 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.807 -5.300 0.251 1.00 0.00 H new ATOM 646 N ASP A 44 8.020 -7.409 -1.312 1.00 0.00 N ATOM 647 CA ASP A 44 7.520 -8.068 -2.506 1.00 0.00 C ATOM 648 C ASP A 44 7.199 -7.014 -3.569 1.00 0.00 C ATOM 649 O ASP A 44 7.347 -7.267 -4.763 1.00 0.00 O ATOM 650 CB ASP A 44 6.236 -8.845 -2.210 1.00 0.00 C ATOM 651 CG ASP A 44 5.886 -8.975 -0.726 1.00 0.00 C ATOM 652 OD1 ASP A 44 5.657 -7.917 -0.102 1.00 0.00 O ATOM 653 OD2 ASP A 44 5.857 -10.130 -0.249 1.00 0.00 O ATOM 0 H ASP A 44 7.340 -6.816 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 44 8.287 -8.759 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.407 -8.356 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.328 -9.844 -2.635 1.00 0.00 H new ATOM 658 N GLY A 45 6.768 -5.854 -3.095 1.00 0.00 N ATOM 659 CA GLY A 45 6.426 -4.761 -3.989 1.00 0.00 C ATOM 660 C GLY A 45 5.421 -3.811 -3.334 1.00 0.00 C ATOM 661 O GLY A 45 5.747 -2.661 -3.045 1.00 0.00 O ATOM 0 H GLY A 45 6.648 -5.647 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.328 -4.212 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.006 -5.160 -4.913 1.00 0.00 H new ATOM 665 N ARG A 46 4.220 -4.328 -3.120 1.00 0.00 N ATOM 666 CA ARG A 46 3.165 -3.541 -2.505 1.00 0.00 C ATOM 667 C ARG A 46 2.178 -4.453 -1.774 1.00 0.00 C ATOM 668 O ARG A 46 2.308 -4.677 -0.572 1.00 0.00 O ATOM 669 CB ARG A 46 2.411 -2.718 -3.552 1.00 0.00 C ATOM 670 CG ARG A 46 3.065 -1.349 -3.749 1.00 0.00 C ATOM 671 CD ARG A 46 3.238 -1.034 -5.237 1.00 0.00 C ATOM 672 NE ARG A 46 2.069 -0.274 -5.732 1.00 0.00 N ATOM 673 CZ ARG A 46 2.096 0.535 -6.800 1.00 0.00 C ATOM 674 NH1 ARG A 46 3.234 0.695 -7.490 1.00 0.00 N ATOM 675 NH2 ARG A 46 0.987 1.185 -7.177 1.00 0.00 N ATOM 0 H ARG A 46 3.954 -5.283 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 46 3.631 -2.861 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.394 -3.256 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.375 -2.588 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.454 -0.579 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.036 -1.331 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.150 -0.457 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.347 -1.959 -5.803 1.00 0.00 H new ATOM 0 HE ARG A 46 1.187 -0.372 -5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.079 0.201 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.255 1.311 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.121 1.064 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.008 1.801 -7.990 1.00 0.00 H new ATOM 689 N VAL A 47 1.214 -4.955 -2.531 1.00 0.00 N ATOM 690 CA VAL A 47 0.206 -5.838 -1.971 1.00 0.00 C ATOM 691 C VAL A 47 -0.013 -7.021 -2.916 1.00 0.00 C ATOM 692 O VAL A 47 -1.017 -7.077 -3.624 1.00 0.00 O ATOM 693 CB VAL A 47 -1.078 -5.054 -1.687 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.793 -3.837 -0.806 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.765 -4.640 -2.991 1.00 0.00 C ATOM 0 H VAL A 47 1.110 -4.767 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 47 0.542 -6.243 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.759 -5.708 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.722 -3.298 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.367 -4.166 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.087 -3.179 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.675 -4.085 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.092 -4.010 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.018 -5.530 -3.567 1.00 0.00 H new ATOM 705 N ASN A 48 0.945 -7.937 -2.899 1.00 0.00 N ATOM 706 CA ASN A 48 0.871 -9.114 -3.746 1.00 0.00 C ATOM 707 C ASN A 48 -0.388 -9.912 -3.394 1.00 0.00 C ATOM 708 O ASN A 48 -0.975 -10.564 -4.256 1.00 0.00 O ATOM 709 CB ASN A 48 2.082 -10.025 -3.533 1.00 0.00 C ATOM 710 CG ASN A 48 2.078 -10.621 -2.125 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.328 -11.530 -1.810 1.00 0.00 O ATOM 712 ND2 ASN A 48 2.957 -10.061 -1.297 1.00 0.00 N ATOM 0 H ASN A 48 1.777 -7.887 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 48 0.849 -8.781 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.073 -10.827 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.000 -9.458 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.032 -10.390 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.556 -9.303 -1.625 1.00 0.00 H new ATOM 719 N SER A 49 -0.763 -9.833 -2.125 1.00 0.00 N ATOM 720 CA SER A 49 -1.940 -10.539 -1.649 1.00 0.00 C ATOM 721 C SER A 49 -1.861 -10.725 -0.132 1.00 0.00 C ATOM 722 O SER A 49 -2.885 -10.846 0.537 1.00 0.00 O ATOM 723 CB SER A 49 -2.088 -11.894 -2.342 1.00 0.00 C ATOM 724 OG SER A 49 -3.044 -11.853 -3.399 1.00 0.00 O ATOM 0 H SER A 49 -0.273 -9.291 -1.413 1.00 0.00 H new ATOM 0 HA SER A 49 -2.818 -9.940 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.122 -12.205 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.389 -12.644 -1.611 1.00 0.00 H new ATOM 0 HG SER A 49 -2.639 -11.440 -4.190 1.00 0.00 H new ATOM 730 N THR A 50 -0.632 -10.743 0.366 1.00 0.00 N ATOM 731 CA THR A 50 -0.405 -10.912 1.791 1.00 0.00 C ATOM 732 C THR A 50 -0.601 -9.584 2.524 1.00 0.00 C ATOM 733 O THR A 50 -1.094 -9.559 3.651 1.00 0.00 O ATOM 734 CB THR A 50 0.990 -11.510 1.979 1.00 0.00 C ATOM 735 OG1 THR A 50 0.859 -12.851 1.514 1.00 0.00 O ATOM 736 CG2 THR A 50 1.368 -11.663 3.454 1.00 0.00 C ATOM 0 H THR A 50 0.216 -10.643 -0.192 1.00 0.00 H new ATOM 0 HA THR A 50 -1.130 -11.598 2.229 1.00 0.00 H new ATOM 0 HB THR A 50 1.725 -10.879 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.720 -13.312 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.367 -12.092 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.354 -10.686 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.652 -12.321 3.947 1.00 0.00 H new ATOM 744 N ASP A 51 -0.205 -8.511 1.855 1.00 0.00 N ATOM 745 CA ASP A 51 -0.331 -7.183 2.428 1.00 0.00 C ATOM 746 C ASP A 51 -1.693 -6.597 2.052 1.00 0.00 C ATOM 747 O ASP A 51 -2.212 -5.727 2.751 1.00 0.00 O ATOM 748 CB ASP A 51 0.752 -6.245 1.889 1.00 0.00 C ATOM 749 CG ASP A 51 2.024 -6.172 2.736 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.293 -7.167 3.445 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.700 -5.124 2.656 1.00 0.00 O ATOM 0 H ASP A 51 0.204 -8.535 0.921 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.226 -7.271 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.021 -6.566 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.333 -5.242 1.802 1.00 0.00 H new ATOM 756 N LEU A 52 -2.232 -7.096 0.951 1.00 0.00 N ATOM 757 CA LEU A 52 -3.525 -6.633 0.474 1.00 0.00 C ATOM 758 C LEU A 52 -4.464 -6.438 1.666 1.00 0.00 C ATOM 759 O LEU A 52 -4.938 -5.330 1.912 1.00 0.00 O ATOM 760 CB LEU A 52 -4.074 -7.584 -0.592 1.00 0.00 C ATOM 761 CG LEU A 52 -4.754 -6.923 -1.793 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.353 -7.614 -3.098 1.00 0.00 C ATOM 763 CD2 LEU A 52 -6.272 -6.881 -1.610 1.00 0.00 C ATOM 0 H LEU A 52 -1.798 -7.817 0.374 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.426 -5.664 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.253 -8.201 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.790 -8.255 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.409 -5.891 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.850 -7.125 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.273 -7.548 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.650 -8.662 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.730 -6.406 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.654 -7.897 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.515 -6.310 -0.714 1.00 0.00 H new ATOM 775 N GLY A 53 -4.702 -7.531 2.377 1.00 0.00 N ATOM 776 CA GLY A 53 -5.576 -7.492 3.537 1.00 0.00 C ATOM 777 C GLY A 53 -5.014 -6.565 4.616 1.00 0.00 C ATOM 778 O GLY A 53 -5.728 -5.708 5.136 1.00 0.00 O ATOM 0 H GLY A 53 -4.305 -8.448 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.567 -7.150 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.694 -8.497 3.942 1.00 0.00 H new ATOM 782 N ILE A 54 -3.740 -6.765 4.920 1.00 0.00 N ATOM 783 CA ILE A 54 -3.074 -5.957 5.927 1.00 0.00 C ATOM 784 C ILE A 54 -3.299 -4.476 5.616 1.00 0.00 C ATOM 785 O ILE A 54 -3.549 -3.679 6.519 1.00 0.00 O ATOM 786 CB ILE A 54 -1.599 -6.345 6.037 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.256 -6.804 7.456 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.695 -5.202 5.570 1.00 0.00 C ATOM 789 CD1 ILE A 54 0.258 -6.887 7.655 1.00 0.00 C ATOM 0 H ILE A 54 -3.151 -7.476 4.486 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.503 -6.146 6.911 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.418 -7.190 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.684 -6.110 8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.705 -7.779 7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.349 -5.504 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.917 -4.964 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.872 -4.322 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.474 -7.215 8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.680 -7.600 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.701 -5.905 7.489 1.00 0.00 H new ATOM 801 N LEU A 55 -3.202 -4.151 4.335 1.00 0.00 N ATOM 802 CA LEU A 55 -3.391 -2.780 3.894 1.00 0.00 C ATOM 803 C LEU A 55 -4.838 -2.360 4.157 1.00 0.00 C ATOM 804 O LEU A 55 -5.089 -1.430 4.923 1.00 0.00 O ATOM 805 CB LEU A 55 -2.961 -2.623 2.434 1.00 0.00 C ATOM 806 CG LEU A 55 -1.559 -2.054 2.206 1.00 0.00 C ATOM 807 CD1 LEU A 55 -1.449 -0.630 2.755 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.490 -2.978 2.791 1.00 0.00 C ATOM 0 H LEU A 55 -2.995 -4.814 3.588 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.753 -2.105 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.018 -3.599 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.680 -1.976 1.931 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.384 -1.999 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.443 -0.249 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.172 0.011 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.654 -0.636 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.497 -2.550 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.652 -3.088 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.552 -3.955 2.312 1.00 0.00 H new ATOM 820 N LYS A 56 -5.754 -3.064 3.508 1.00 0.00 N ATOM 821 CA LYS A 56 -7.169 -2.776 3.662 1.00 0.00 C ATOM 822 C LYS A 56 -7.574 -2.993 5.121 1.00 0.00 C ATOM 823 O LYS A 56 -8.694 -2.673 5.512 1.00 0.00 O ATOM 824 CB LYS A 56 -7.994 -3.593 2.666 1.00 0.00 C ATOM 825 CG LYS A 56 -7.853 -5.092 2.937 1.00 0.00 C ATOM 826 CD LYS A 56 -9.186 -5.815 2.731 1.00 0.00 C ATOM 827 CE LYS A 56 -9.894 -6.047 4.067 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.185 -7.486 4.257 1.00 0.00 N ATOM 0 H LYS A 56 -5.543 -3.834 2.874 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.373 -1.731 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.043 -3.305 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.668 -3.371 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.099 -5.516 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.504 -5.249 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.826 -5.226 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.013 -6.771 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.269 -5.685 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.822 -5.475 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.666 -7.626 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.799 -7.821 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.295 -8.024 4.249 1.00 0.00 H new ATOM 842 N ARG A 57 -6.639 -3.538 5.886 1.00 0.00 N ATOM 843 CA ARG A 57 -6.883 -3.803 7.293 1.00 0.00 C ATOM 844 C ARG A 57 -6.493 -2.589 8.138 1.00 0.00 C ATOM 845 O ARG A 57 -7.322 -2.038 8.860 1.00 0.00 O ATOM 846 CB ARG A 57 -6.093 -5.023 7.770 1.00 0.00 C ATOM 847 CG ARG A 57 -6.934 -6.296 7.666 1.00 0.00 C ATOM 848 CD ARG A 57 -6.701 -7.206 8.874 1.00 0.00 C ATOM 849 NE ARG A 57 -6.217 -8.531 8.424 1.00 0.00 N ATOM 850 CZ ARG A 57 -6.145 -9.613 9.211 1.00 0.00 C ATOM 851 NH1 ARG A 57 -6.526 -9.534 10.494 1.00 0.00 N ATOM 852 NH2 ARG A 57 -5.693 -10.773 8.717 1.00 0.00 N ATOM 0 H ARG A 57 -5.711 -3.803 5.557 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.947 -4.005 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.188 -5.131 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.777 -4.875 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.990 -6.034 7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.681 -6.830 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.972 -6.753 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.627 -7.320 9.438 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.919 -8.626 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.870 -8.651 10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.472 -10.357 11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.403 -10.833 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.639 -11.596 9.317 1.00 0.00 H new ATOM 866 N TYR A 58 -5.230 -2.207 8.019 1.00 0.00 N ATOM 867 CA TYR A 58 -4.719 -1.068 8.763 1.00 0.00 C ATOM 868 C TYR A 58 -5.214 0.248 8.158 1.00 0.00 C ATOM 869 O TYR A 58 -5.280 1.266 8.846 1.00 0.00 O ATOM 870 CB TYR A 58 -3.196 -1.131 8.638 1.00 0.00 C ATOM 871 CG TYR A 58 -2.595 -0.025 7.769 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.671 1.291 8.177 1.00 0.00 C ATOM 873 CD2 TYR A 58 -1.977 -0.343 6.577 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.106 2.333 7.359 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.412 0.698 5.759 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.504 1.984 6.190 1.00 0.00 C ATOM 877 OH TYR A 58 -0.971 2.968 5.417 1.00 0.00 O ATOM 0 H TYR A 58 -4.545 -2.666 7.418 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.055 -1.104 9.799 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.758 -1.074 9.634 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.916 -2.098 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.154 1.540 9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.917 -1.373 6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.159 3.367 7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.926 0.463 4.824 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.412 2.568 4.718 1.00 0.00 H new ATOM 887 N ILE A 59 -5.548 0.185 6.878 1.00 0.00 N ATOM 888 CA ILE A 59 -6.034 1.359 6.173 1.00 0.00 C ATOM 889 C ILE A 59 -7.559 1.427 6.295 1.00 0.00 C ATOM 890 O ILE A 59 -8.172 2.418 5.904 1.00 0.00 O ATOM 891 CB ILE A 59 -5.533 1.361 4.728 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.425 0.496 3.835 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.065 0.935 4.656 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.237 1.361 2.869 1.00 0.00 C ATOM 0 H ILE A 59 -5.492 -0.661 6.310 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.636 2.267 6.626 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.592 2.381 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.810 -0.206 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.100 -0.096 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.734 0.945 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.456 1.627 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.958 -0.071 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.862 0.722 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.869 2.045 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.559 1.934 2.236 1.00 0.00 H new ATOM 906 N LEU A 60 -8.125 0.359 6.839 1.00 0.00 N ATOM 907 CA LEU A 60 -9.565 0.286 7.017 1.00 0.00 C ATOM 908 C LEU A 60 -10.033 1.480 7.853 1.00 0.00 C ATOM 909 O LEU A 60 -11.133 1.992 7.648 1.00 0.00 O ATOM 910 CB LEU A 60 -9.963 -1.069 7.604 1.00 0.00 C ATOM 911 CG LEU A 60 -11.148 -1.768 6.936 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.340 -3.179 7.494 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.421 -0.926 7.056 1.00 0.00 C ATOM 0 H LEU A 60 -7.613 -0.462 7.162 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.072 0.353 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.100 -1.732 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.196 -0.931 8.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.928 -1.870 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.189 -3.653 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.441 -3.768 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.527 -3.124 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.248 -1.446 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.656 -0.770 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.266 0.038 6.572 1.00 0.00 H new ATOM 925 N LYS A 61 -9.175 1.888 8.775 1.00 0.00 N ATOM 926 CA LYS A 61 -9.487 3.011 9.643 1.00 0.00 C ATOM 927 C LYS A 61 -8.291 3.292 10.557 1.00 0.00 C ATOM 928 O LYS A 61 -8.011 4.444 10.881 1.00 0.00 O ATOM 929 CB LYS A 61 -10.793 2.759 10.399 1.00 0.00 C ATOM 930 CG LYS A 61 -10.648 1.581 11.365 1.00 0.00 C ATOM 931 CD LYS A 61 -10.869 0.250 10.646 1.00 0.00 C ATOM 932 CE LYS A 61 -11.830 -0.644 11.431 1.00 0.00 C ATOM 933 NZ LYS A 61 -11.078 -1.625 12.245 1.00 0.00 N ATOM 0 H LYS A 61 -8.263 1.461 8.941 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.657 3.912 9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.076 3.655 10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.595 2.556 9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.655 1.595 11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.367 1.683 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.270 0.433 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.915 -0.261 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.459 -0.032 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.494 -1.167 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.746 -2.224 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.496 -2.220 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.463 -1.121 12.915 1.00 0.00 H new ATOM 947 N GLU A 62 -7.620 2.218 10.945 1.00 0.00 N ATOM 948 CA GLU A 62 -6.461 2.334 11.815 1.00 0.00 C ATOM 949 C GLU A 62 -5.372 3.170 11.139 1.00 0.00 C ATOM 950 O GLU A 62 -4.369 3.510 11.765 1.00 0.00 O ATOM 951 CB GLU A 62 -5.930 0.955 12.206 1.00 0.00 C ATOM 952 CG GLU A 62 -5.947 0.772 13.725 1.00 0.00 C ATOM 953 CD GLU A 62 -7.108 -0.127 14.157 1.00 0.00 C ATOM 954 OE1 GLU A 62 -6.943 -1.361 14.047 1.00 0.00 O ATOM 955 OE2 GLU A 62 -8.136 0.441 14.584 1.00 0.00 O ATOM 0 H GLU A 62 -7.856 1.264 10.673 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.766 2.842 12.730 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.537 0.181 11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.913 0.834 11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.003 0.336 14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.035 1.744 14.211 1.00 0.00 H new ATOM 962 N ILE A 63 -5.607 3.478 9.873 1.00 0.00 N ATOM 963 CA ILE A 63 -4.659 4.268 9.105 1.00 0.00 C ATOM 964 C ILE A 63 -3.876 5.178 10.054 1.00 0.00 C ATOM 965 O ILE A 63 -4.428 6.130 10.604 1.00 0.00 O ATOM 966 CB ILE A 63 -5.373 5.020 7.981 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.460 6.082 7.365 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.695 5.615 8.473 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.083 5.499 7.041 1.00 0.00 C ATOM 0 H ILE A 63 -6.441 3.195 9.359 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.934 3.620 8.612 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.614 4.307 7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.915 6.476 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.352 6.919 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.183 6.144 7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.345 4.815 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.500 6.310 9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.453 6.274 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.620 5.128 7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.193 4.679 6.332 1.00 0.00 H new ATOM 981 N ASP A 64 -2.602 4.854 10.216 1.00 0.00 N ATOM 982 CA ASP A 64 -1.737 5.631 11.088 1.00 0.00 C ATOM 983 C ASP A 64 -0.504 4.800 11.447 1.00 0.00 C ATOM 984 O ASP A 64 0.559 5.351 11.732 1.00 0.00 O ATOM 985 CB ASP A 64 -2.454 6.000 12.388 1.00 0.00 C ATOM 986 CG ASP A 64 -2.723 7.493 12.577 1.00 0.00 C ATOM 987 OD1 ASP A 64 -3.726 7.967 12.000 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.919 8.129 13.293 1.00 0.00 O ATOM 0 H ASP A 64 -2.147 4.064 9.758 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.456 6.542 10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.404 5.468 12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.857 5.645 13.228 1.00 0.00 H new ATOM 993 N THR A 65 -0.686 3.488 11.423 1.00 0.00 N ATOM 994 CA THR A 65 0.399 2.576 11.743 1.00 0.00 C ATOM 995 C THR A 65 0.084 1.171 11.227 1.00 0.00 C ATOM 996 O THR A 65 -1.024 0.670 11.415 1.00 0.00 O ATOM 997 CB THR A 65 0.632 2.630 13.254 1.00 0.00 C ATOM 998 OG1 THR A 65 1.879 1.964 13.438 1.00 0.00 O ATOM 999 CG2 THR A 65 -0.367 1.772 14.033 1.00 0.00 C ATOM 0 H THR A 65 -1.569 3.035 11.187 1.00 0.00 H new ATOM 0 HA THR A 65 1.323 2.871 11.246 1.00 0.00 H new ATOM 0 HB THR A 65 0.564 3.664 13.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.108 1.955 14.391 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.156 1.847 15.100 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.380 2.125 13.837 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.278 0.733 13.717 1.00 0.00 H new ATOM 1007 N LEU A 66 1.079 0.573 10.587 1.00 0.00 N ATOM 1008 CA LEU A 66 0.922 -0.765 10.042 1.00 0.00 C ATOM 1009 C LEU A 66 2.033 -1.665 10.585 1.00 0.00 C ATOM 1010 O LEU A 66 2.941 -2.048 9.849 1.00 0.00 O ATOM 1011 CB LEU A 66 0.859 -0.718 8.514 1.00 0.00 C ATOM 1012 CG LEU A 66 0.300 -1.964 7.826 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.741 -2.028 6.363 1.00 0.00 C ATOM 1014 CD2 LEU A 66 0.679 -3.231 8.595 1.00 0.00 C ATOM 0 H LEU A 66 1.997 0.991 10.434 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.025 -1.198 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.250 0.138 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.865 -0.538 8.134 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.788 -1.897 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.329 -2.924 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.379 -1.146 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.829 -2.060 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.269 -4.103 8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.765 -3.316 8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.274 -3.178 9.605 1.00 0.00 H new