USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 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 16 ASN : amide:sc= -0.847 X(o=-1.6,f=-1.5) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 1 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.2) USER MOD Single : A 1 ASN N :NH3+ 145:sc= 0.0341 (180deg=-0.116) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 7:sc= 0.00689 USER MOD Single : A 9 SER OG : rot -17:sc= 0.279 USER MOD Single : A 10 TYR OH : rot 119:sc= 0.534 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -1.63 F(o=-6.5!,f=-1.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 32 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= -0.151 USER MOD Single : A 43 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -6.376 12.813 -1.005 1.00 0.00 N ATOM 2 CA ASN A 1 -7.395 11.803 -0.777 1.00 0.00 C ATOM 3 C ASN A 1 -6.941 10.478 -1.392 1.00 0.00 C ATOM 4 O ASN A 1 -6.305 10.464 -2.444 1.00 0.00 O ATOM 5 CB ASN A 1 -8.720 12.200 -1.432 1.00 0.00 C ATOM 6 CG ASN A 1 -8.542 12.421 -2.936 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.655 11.511 -3.741 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.260 13.677 -3.267 1.00 0.00 N ATOM 0 H1 ASN A 1 -6.830 13.736 -1.158 1.00 0.00 H new ATOM 0 H2 ASN A 1 -5.750 12.868 -0.176 1.00 0.00 H new ATOM 0 H3 ASN A 1 -5.817 12.559 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.539 11.707 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.463 11.421 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.100 13.111 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.124 13.928 -4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.180 14.390 -2.542 1.00 0.00 H new ATOM 16 N SER A 2 -7.285 9.397 -0.709 1.00 0.00 N ATOM 17 CA SER A 2 -6.975 8.067 -1.206 1.00 0.00 C ATOM 18 C SER A 2 -7.960 7.679 -2.311 1.00 0.00 C ATOM 19 O SER A 2 -9.109 7.339 -2.032 1.00 0.00 O ATOM 20 CB SER A 2 -7.011 7.035 -0.078 1.00 0.00 C ATOM 21 OG SER A 2 -6.155 7.395 1.003 1.00 0.00 O ATOM 0 H SER A 2 -7.776 9.414 0.185 1.00 0.00 H new ATOM 0 HA SER A 2 -5.965 8.082 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.033 6.933 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.713 6.062 -0.468 1.00 0.00 H new ATOM 0 HG SER A 2 -6.208 6.712 1.704 1.00 0.00 H new ATOM 27 N TYR A 3 -7.474 7.744 -3.542 1.00 0.00 N ATOM 28 CA TYR A 3 -8.318 7.478 -4.695 1.00 0.00 C ATOM 29 C TYR A 3 -7.952 6.142 -5.344 1.00 0.00 C ATOM 30 O TYR A 3 -6.776 5.848 -5.548 1.00 0.00 O ATOM 31 CB TYR A 3 -8.043 8.607 -5.689 1.00 0.00 C ATOM 32 CG TYR A 3 -8.718 8.417 -7.049 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.054 8.725 -7.204 1.00 0.00 C ATOM 34 CD2 TYR A 3 -7.991 7.938 -8.119 1.00 0.00 C ATOM 35 CE1 TYR A 3 -10.690 8.546 -8.484 1.00 0.00 C ATOM 36 CE2 TYR A 3 -8.627 7.759 -9.399 1.00 0.00 C ATOM 37 CZ TYR A 3 -9.945 8.072 -9.518 1.00 0.00 C ATOM 38 OH TYR A 3 -10.546 7.903 -10.727 1.00 0.00 O ATOM 0 H TYR A 3 -6.507 7.977 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.366 7.428 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.380 9.549 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.967 8.692 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.623 9.100 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.945 7.697 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.735 8.783 -8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.070 7.385 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.893 7.559 -11.372 1.00 0.00 H new ATOM 48 N PRO A 4 -8.949 5.311 -5.679 1.00 0.00 N ATOM 49 CA PRO A 4 -8.681 4.056 -6.384 1.00 0.00 C ATOM 50 C PRO A 4 -8.205 4.285 -7.810 1.00 0.00 C ATOM 51 O PRO A 4 -8.969 4.751 -8.655 1.00 0.00 O ATOM 52 CB PRO A 4 -10.024 3.323 -6.346 1.00 0.00 C ATOM 53 CG PRO A 4 -11.033 4.433 -6.266 1.00 0.00 C ATOM 54 CD PRO A 4 -10.390 5.494 -5.419 1.00 0.00 C ATOM 0 HA PRO A 4 -7.876 3.487 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.172 2.711 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.092 2.657 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.276 4.815 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.965 4.086 -5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.726 6.492 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.628 5.364 -4.363 1.00 0.00 H new ATOM 62 N GLY A 5 -6.946 3.948 -8.042 1.00 0.00 N ATOM 63 CA GLY A 5 -6.338 4.172 -9.343 1.00 0.00 C ATOM 64 C GLY A 5 -5.076 3.323 -9.511 1.00 0.00 C ATOM 65 O GLY A 5 -4.386 3.030 -8.536 1.00 0.00 O ATOM 0 H GLY A 5 -6.329 3.521 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.052 3.928 -10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.089 5.227 -9.455 1.00 0.00 H new ATOM 69 N CYS A 6 -4.813 2.953 -10.755 1.00 0.00 N ATOM 70 CA CYS A 6 -3.651 2.136 -11.063 1.00 0.00 C ATOM 71 C CYS A 6 -3.579 1.952 -12.579 1.00 0.00 C ATOM 72 O CYS A 6 -4.244 1.079 -13.135 1.00 0.00 O ATOM 73 CB CYS A 6 -3.692 0.794 -10.326 1.00 0.00 C ATOM 74 SG CYS A 6 -2.077 0.222 -9.683 1.00 0.00 S ATOM 0 H CYS A 6 -5.384 3.204 -11.562 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.748 2.639 -10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.391 0.874 -9.493 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.087 0.036 -11.002 1.00 0.00 H new ATOM 79 N PRO A 7 -2.777 2.769 -13.274 1.00 0.00 N ATOM 80 CA PRO A 7 -2.676 2.667 -14.733 1.00 0.00 C ATOM 81 C PRO A 7 -1.989 1.387 -15.175 1.00 0.00 C ATOM 82 O PRO A 7 -1.599 0.568 -14.344 1.00 0.00 O ATOM 83 CB PRO A 7 -1.874 3.908 -15.128 1.00 0.00 C ATOM 84 CG PRO A 7 -1.042 4.197 -13.911 1.00 0.00 C ATOM 85 CD PRO A 7 -1.912 3.840 -12.742 1.00 0.00 C ATOM 0 HA PRO A 7 -3.654 2.626 -15.213 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.252 3.721 -16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.527 4.745 -15.374 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.125 3.608 -13.913 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.747 5.246 -13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.322 3.495 -11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.495 4.695 -12.399 1.00 0.00 H new ATOM 93 N SER A 8 -1.856 1.245 -16.486 1.00 0.00 N ATOM 94 CA SER A 8 -1.271 0.044 -17.054 1.00 0.00 C ATOM 95 C SER A 8 0.226 -0.009 -16.737 1.00 0.00 C ATOM 96 O SER A 8 0.839 -1.073 -16.799 1.00 0.00 O ATOM 97 CB SER A 8 -1.494 -0.016 -18.567 1.00 0.00 C ATOM 98 OG SER A 8 -1.129 -1.281 -19.111 1.00 0.00 O ATOM 0 H SER A 8 -2.144 1.944 -17.171 1.00 0.00 H new ATOM 0 HA SER A 8 -1.763 -0.820 -16.607 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.543 0.184 -18.787 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.912 0.768 -19.051 1.00 0.00 H new ATOM 0 HG SER A 8 -0.911 -1.900 -18.383 1.00 0.00 H new ATOM 104 N SER A 9 0.769 1.152 -16.404 1.00 0.00 N ATOM 105 CA SER A 9 2.183 1.254 -16.089 1.00 0.00 C ATOM 106 C SER A 9 2.448 0.702 -14.686 1.00 0.00 C ATOM 107 O SER A 9 3.595 0.453 -14.320 1.00 0.00 O ATOM 108 CB SER A 9 2.667 2.702 -16.189 1.00 0.00 C ATOM 109 OG SER A 9 4.017 2.844 -15.754 1.00 0.00 O ATOM 0 H SER A 9 0.255 2.031 -16.345 1.00 0.00 H new ATOM 0 HA SER A 9 2.739 0.662 -16.817 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.581 3.043 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.023 3.342 -15.587 1.00 0.00 H new ATOM 0 HG SER A 9 4.275 2.059 -15.227 1.00 0.00 H new ATOM 115 N TYR A 10 1.367 0.526 -13.940 1.00 0.00 N ATOM 116 CA TYR A 10 1.471 0.050 -12.572 1.00 0.00 C ATOM 117 C TYR A 10 0.829 -1.331 -12.422 1.00 0.00 C ATOM 118 O TYR A 10 0.011 -1.545 -11.528 1.00 0.00 O ATOM 119 CB TYR A 10 0.698 1.054 -11.715 1.00 0.00 C ATOM 120 CG TYR A 10 1.520 2.274 -11.294 1.00 0.00 C ATOM 121 CD1 TYR A 10 2.012 3.140 -12.249 1.00 0.00 C ATOM 122 CD2 TYR A 10 1.769 2.509 -9.956 1.00 0.00 C ATOM 123 CE1 TYR A 10 2.785 4.288 -11.853 1.00 0.00 C ATOM 124 CE2 TYR A 10 2.542 3.658 -9.560 1.00 0.00 C ATOM 125 CZ TYR A 10 3.011 4.490 -10.527 1.00 0.00 C ATOM 126 OH TYR A 10 3.742 5.574 -10.152 1.00 0.00 O ATOM 0 H TYR A 10 0.414 0.705 -14.258 1.00 0.00 H new ATOM 0 HA TYR A 10 2.516 -0.036 -12.274 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.177 1.392 -12.270 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.333 0.548 -10.821 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.817 2.956 -13.295 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.385 1.832 -9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.176 4.973 -12.591 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.745 3.854 -8.517 1.00 0.00 H new ATOM 0 HH TYR A 10 3.196 6.156 -9.584 1.00 0.00 H new ATOM 136 N ASP A 11 1.225 -2.232 -13.309 1.00 0.00 N ATOM 137 CA ASP A 11 0.729 -3.597 -13.261 1.00 0.00 C ATOM 138 C ASP A 11 1.712 -4.465 -12.473 1.00 0.00 C ATOM 139 O ASP A 11 2.073 -5.555 -12.913 1.00 0.00 O ATOM 140 CB ASP A 11 0.600 -4.185 -14.667 1.00 0.00 C ATOM 141 CG ASP A 11 -0.506 -3.571 -15.527 1.00 0.00 C ATOM 142 OD1 ASP A 11 -0.409 -3.537 -16.763 1.00 0.00 O ATOM 143 OD2 ASP A 11 -1.514 -3.109 -14.869 1.00 0.00 O ATOM 0 H ASP A 11 1.883 -2.044 -14.065 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.251 -3.583 -12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.552 -4.062 -15.184 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.420 -5.257 -14.581 1.00 0.00 H new ATOM 149 N GLY A 12 2.115 -3.949 -11.322 1.00 0.00 N ATOM 150 CA GLY A 12 3.027 -4.676 -10.455 1.00 0.00 C ATOM 151 C GLY A 12 3.615 -3.757 -9.383 1.00 0.00 C ATOM 152 O GLY A 12 4.818 -3.785 -9.128 1.00 0.00 O ATOM 0 H GLY A 12 1.827 -3.036 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.501 -5.504 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.832 -5.109 -11.049 1.00 0.00 H new ATOM 156 N TYR A 13 2.740 -2.963 -8.784 1.00 0.00 N ATOM 157 CA TYR A 13 3.160 -2.021 -7.761 1.00 0.00 C ATOM 158 C TYR A 13 2.647 -2.442 -6.383 1.00 0.00 C ATOM 159 O TYR A 13 2.617 -1.636 -5.454 1.00 0.00 O ATOM 160 CB TYR A 13 2.529 -0.679 -8.139 1.00 0.00 C ATOM 161 CG TYR A 13 3.158 0.524 -7.434 1.00 0.00 C ATOM 162 CD1 TYR A 13 4.389 0.998 -7.842 1.00 0.00 C ATOM 163 CD2 TYR A 13 2.495 1.136 -6.389 1.00 0.00 C ATOM 164 CE1 TYR A 13 4.981 2.130 -7.179 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.088 2.269 -5.726 1.00 0.00 C ATOM 166 CZ TYR A 13 4.301 2.710 -6.154 1.00 0.00 C ATOM 167 OH TYR A 13 4.860 3.780 -5.527 1.00 0.00 O ATOM 0 H TYR A 13 1.741 -2.953 -8.988 1.00 0.00 H new ATOM 0 HA TYR A 13 4.248 -1.972 -7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.613 -0.540 -9.217 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.465 -0.710 -7.903 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.908 0.519 -8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.532 0.765 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.943 2.510 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.581 2.757 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 13 4.262 4.092 -4.816 1.00 0.00 H new ATOM 177 N CYS A 14 2.254 -3.705 -6.293 1.00 0.00 N ATOM 178 CA CYS A 14 1.756 -4.246 -5.040 1.00 0.00 C ATOM 179 C CYS A 14 2.303 -5.666 -4.879 1.00 0.00 C ATOM 180 O CYS A 14 1.996 -6.548 -5.680 1.00 0.00 O ATOM 181 CB CYS A 14 0.228 -4.214 -4.978 1.00 0.00 C ATOM 182 SG CYS A 14 -0.522 -2.595 -5.387 1.00 0.00 S ATOM 0 H CYS A 14 2.271 -4.369 -7.068 1.00 0.00 H new ATOM 0 HA CYS A 14 2.101 -3.628 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.165 -4.965 -5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.087 -4.502 -3.975 1.00 0.00 H new ATOM 187 N LEU A 15 3.105 -5.842 -3.840 1.00 0.00 N ATOM 188 CA LEU A 15 3.668 -7.148 -3.541 1.00 0.00 C ATOM 189 C LEU A 15 2.783 -7.858 -2.515 1.00 0.00 C ATOM 190 O LEU A 15 1.846 -7.265 -1.983 1.00 0.00 O ATOM 191 CB LEU A 15 5.129 -7.016 -3.106 1.00 0.00 C ATOM 192 CG LEU A 15 6.002 -6.092 -3.958 1.00 0.00 C ATOM 193 CD1 LEU A 15 7.352 -5.840 -3.287 1.00 0.00 C ATOM 194 CD2 LEU A 15 6.161 -6.643 -5.376 1.00 0.00 C ATOM 0 H LEU A 15 3.379 -5.102 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 15 3.681 -7.770 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.150 -6.656 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.578 -8.009 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 15 5.499 -5.128 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.952 -5.180 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.194 -5.372 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.874 -6.787 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.786 -5.968 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.630 -7.626 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.181 -6.728 -5.845 1.00 0.00 H new ATOM 206 N ASN A 16 3.111 -9.118 -2.269 1.00 0.00 N ATOM 207 CA ASN A 16 2.379 -9.904 -1.290 1.00 0.00 C ATOM 208 C ASN A 16 0.887 -9.871 -1.629 1.00 0.00 C ATOM 209 O ASN A 16 0.044 -9.853 -0.734 1.00 0.00 O ATOM 210 CB ASN A 16 2.556 -9.335 0.118 1.00 0.00 C ATOM 211 CG ASN A 16 4.020 -9.408 0.559 1.00 0.00 C ATOM 212 OD1 ASN A 16 4.480 -10.394 1.110 1.00 0.00 O ATOM 213 ND2 ASN A 16 4.721 -8.312 0.287 1.00 0.00 N ATOM 0 H ASN A 16 3.874 -9.614 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 16 2.766 -10.922 -1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.217 -8.299 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.933 -9.890 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.707 -8.261 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.273 -7.522 -0.177 1.00 0.00 H new ATOM 220 N GLY A 17 0.608 -9.865 -2.925 1.00 0.00 N ATOM 221 CA GLY A 17 -0.766 -9.928 -3.394 1.00 0.00 C ATOM 222 C GLY A 17 -1.589 -8.762 -2.840 1.00 0.00 C ATOM 223 O GLY A 17 -2.776 -8.914 -2.559 1.00 0.00 O ATOM 0 H GLY A 17 1.310 -9.818 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.783 -9.905 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.215 -10.873 -3.088 1.00 0.00 H new ATOM 227 N GLY A 18 -0.924 -7.624 -2.700 1.00 0.00 N ATOM 228 CA GLY A 18 -1.584 -6.428 -2.205 1.00 0.00 C ATOM 229 C GLY A 18 -2.447 -5.788 -3.294 1.00 0.00 C ATOM 230 O GLY A 18 -2.234 -6.028 -4.481 1.00 0.00 O ATOM 0 H GLY A 18 0.065 -7.505 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.205 -6.680 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.837 -5.713 -1.860 1.00 0.00 H new ATOM 234 N VAL A 19 -3.406 -4.988 -2.850 1.00 0.00 N ATOM 235 CA VAL A 19 -4.286 -4.292 -3.773 1.00 0.00 C ATOM 236 C VAL A 19 -3.744 -2.883 -4.024 1.00 0.00 C ATOM 237 O VAL A 19 -3.109 -2.294 -3.152 1.00 0.00 O ATOM 238 CB VAL A 19 -5.717 -4.293 -3.232 1.00 0.00 C ATOM 239 CG1 VAL A 19 -6.636 -3.441 -4.109 1.00 0.00 C ATOM 240 CG2 VAL A 19 -6.252 -5.721 -3.103 1.00 0.00 C ATOM 0 H VAL A 19 -3.592 -4.807 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.315 -4.806 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.699 -3.849 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.647 -3.459 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.271 -2.414 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.646 -3.842 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.271 -5.694 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.248 -6.201 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.619 -6.286 -2.419 1.00 0.00 H new ATOM 250 N CYS A 20 -4.014 -2.385 -5.221 1.00 0.00 N ATOM 251 CA CYS A 20 -3.477 -1.101 -5.637 1.00 0.00 C ATOM 252 C CYS A 20 -4.482 -0.013 -5.254 1.00 0.00 C ATOM 253 O CYS A 20 -5.690 -0.202 -5.390 1.00 0.00 O ATOM 254 CB CYS A 20 -3.154 -1.079 -7.132 1.00 0.00 C ATOM 255 SG CYS A 20 -2.202 0.381 -7.690 1.00 0.00 S ATOM 0 H CYS A 20 -4.598 -2.848 -5.917 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.532 -0.917 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.592 -1.979 -7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.088 -1.122 -7.692 1.00 0.00 H new ATOM 260 N MET A 21 -3.947 1.104 -4.783 1.00 0.00 N ATOM 261 CA MET A 21 -4.773 2.262 -4.486 1.00 0.00 C ATOM 262 C MET A 21 -3.955 3.553 -4.561 1.00 0.00 C ATOM 263 O MET A 21 -2.879 3.645 -3.971 1.00 0.00 O ATOM 264 CB MET A 21 -5.372 2.117 -3.085 1.00 0.00 C ATOM 265 CG MET A 21 -6.565 3.056 -2.899 1.00 0.00 C ATOM 266 SD MET A 21 -7.255 2.850 -1.266 1.00 0.00 S ATOM 267 CE MET A 21 -8.777 3.763 -1.454 1.00 0.00 C ATOM 0 H MET A 21 -2.952 1.232 -4.600 1.00 0.00 H new ATOM 0 HA MET A 21 -5.570 2.316 -5.227 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.688 1.086 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.611 2.337 -2.336 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.250 4.090 -3.042 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.324 2.847 -3.653 1.00 0.00 H new ATOM 0 HE1 MET A 21 -9.336 3.736 -0.518 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.551 4.798 -1.712 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.375 3.314 -2.247 1.00 0.00 H new ATOM 277 N HIS A 22 -4.495 4.518 -5.290 1.00 0.00 N ATOM 278 CA HIS A 22 -3.753 5.729 -5.597 1.00 0.00 C ATOM 279 C HIS A 22 -3.993 6.769 -4.500 1.00 0.00 C ATOM 280 O HIS A 22 -4.975 6.685 -3.765 1.00 0.00 O ATOM 281 CB HIS A 22 -4.111 6.246 -6.991 1.00 0.00 C ATOM 282 CG HIS A 22 -3.268 7.413 -7.449 1.00 0.00 C ATOM 283 ND1 HIS A 22 -1.915 7.581 -7.466 1.00 0.00 N flip ATOM 284 CD2 HIS A 22 -3.813 8.578 -7.958 1.00 0.00 C flip ATOM 285 CE1 HIS A 22 -1.648 8.784 -7.961 1.00 0.00 C flip ATOM 286 NE2 HIS A 22 -2.824 9.403 -8.266 1.00 0.00 N flip ATOM 0 H HIS A 22 -5.438 4.486 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.685 5.511 -5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.005 5.431 -7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.160 6.543 -6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.225 6.899 -7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.866 8.780 -8.083 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.662 9.203 -8.099 1.00 0.00 H new ATOM 294 N ILE A 23 -3.077 7.723 -4.424 1.00 0.00 N ATOM 295 CA ILE A 23 -3.250 8.857 -3.531 1.00 0.00 C ATOM 296 C ILE A 23 -3.156 10.154 -4.336 1.00 0.00 C ATOM 297 O ILE A 23 -2.476 10.205 -5.360 1.00 0.00 O ATOM 298 CB ILE A 23 -2.256 8.780 -2.370 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.438 7.489 -2.433 1.00 0.00 C ATOM 300 CG2 ILE A 23 -2.970 8.942 -1.027 1.00 0.00 C ATOM 301 CD1 ILE A 23 -0.356 7.472 -1.351 1.00 0.00 C ATOM 0 H ILE A 23 -2.213 7.734 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.240 8.836 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.555 9.609 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.097 6.630 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.976 7.395 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.242 8.883 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.470 9.910 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.708 8.148 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.211 6.543 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.316 8.318 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.823 7.542 -0.369 1.00 0.00 H new ATOM 313 N GLU A 24 -3.849 11.170 -3.844 1.00 0.00 N ATOM 314 CA GLU A 24 -3.883 12.453 -4.524 1.00 0.00 C ATOM 315 C GLU A 24 -3.375 13.559 -3.597 1.00 0.00 C ATOM 316 O GLU A 24 -3.531 14.742 -3.894 1.00 0.00 O ATOM 317 CB GLU A 24 -5.290 12.767 -5.034 1.00 0.00 C ATOM 318 CG GLU A 24 -5.749 11.723 -6.055 1.00 0.00 C ATOM 319 CD GLU A 24 -7.134 12.068 -6.605 1.00 0.00 C ATOM 320 OE1 GLU A 24 -7.767 13.026 -6.138 1.00 0.00 O ATOM 321 OE2 GLU A 24 -7.550 11.299 -7.554 1.00 0.00 O ATOM 0 H GLU A 24 -4.392 11.130 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.223 12.400 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.987 12.793 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.303 13.757 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.031 11.669 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.774 10.738 -5.588 1.00 0.00 H new ATOM 329 N SER A 25 -2.780 13.135 -2.492 1.00 0.00 N ATOM 330 CA SER A 25 -2.224 14.074 -1.533 1.00 0.00 C ATOM 331 C SER A 25 -0.838 14.531 -1.992 1.00 0.00 C ATOM 332 O SER A 25 -0.437 15.665 -1.733 1.00 0.00 O ATOM 333 CB SER A 25 -2.142 13.452 -0.137 1.00 0.00 C ATOM 334 OG SER A 25 -1.722 14.397 0.843 1.00 0.00 O ATOM 0 H SER A 25 -2.671 12.153 -2.239 1.00 0.00 H new ATOM 0 HA SER A 25 -2.885 14.939 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.117 13.052 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.446 12.613 -0.154 1.00 0.00 H new ATOM 0 HG SER A 25 -1.683 13.963 1.721 1.00 0.00 H new ATOM 340 N LEU A 26 -0.144 13.626 -2.667 1.00 0.00 N ATOM 341 CA LEU A 26 1.185 13.925 -3.170 1.00 0.00 C ATOM 342 C LEU A 26 1.322 13.380 -4.593 1.00 0.00 C ATOM 343 O LEU A 26 2.434 13.192 -5.085 1.00 0.00 O ATOM 344 CB LEU A 26 2.252 13.403 -2.206 1.00 0.00 C ATOM 345 CG LEU A 26 3.111 14.466 -1.517 1.00 0.00 C ATOM 346 CD1 LEU A 26 3.859 13.874 -0.321 1.00 0.00 C ATOM 347 CD2 LEU A 26 4.060 15.134 -2.513 1.00 0.00 C ATOM 0 H LEU A 26 -0.478 12.685 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 26 1.338 15.003 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.759 12.808 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.912 12.731 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 26 2.450 15.243 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.462 14.650 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.141 13.483 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.508 13.067 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.659 15.885 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.718 14.382 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.481 15.612 -3.303 1.00 0.00 H new ATOM 359 N ASP A 27 0.176 13.142 -5.214 1.00 0.00 N ATOM 360 CA ASP A 27 0.151 12.515 -6.525 1.00 0.00 C ATOM 361 C ASP A 27 0.964 11.220 -6.481 1.00 0.00 C ATOM 362 O ASP A 27 1.680 10.901 -7.428 1.00 0.00 O ATOM 363 CB ASP A 27 0.773 13.428 -7.583 1.00 0.00 C ATOM 364 CG ASP A 27 0.100 14.793 -7.736 1.00 0.00 C ATOM 365 OD1 ASP A 27 -0.855 14.952 -8.511 1.00 0.00 O ATOM 366 OD2 ASP A 27 0.601 15.733 -7.008 1.00 0.00 O ATOM 0 H ASP A 27 -0.742 13.372 -4.834 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.889 12.317 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.823 13.583 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.745 12.916 -8.545 1.00 0.00 H new ATOM 372 N SER A 28 0.825 10.508 -5.372 1.00 0.00 N ATOM 373 CA SER A 28 1.595 9.295 -5.160 1.00 0.00 C ATOM 374 C SER A 28 0.692 8.069 -5.304 1.00 0.00 C ATOM 375 O SER A 28 -0.528 8.200 -5.393 1.00 0.00 O ATOM 376 CB SER A 28 2.266 9.302 -3.785 1.00 0.00 C ATOM 377 OG SER A 28 3.429 8.480 -3.754 1.00 0.00 O ATOM 0 H SER A 28 0.190 10.749 -4.611 1.00 0.00 H new ATOM 0 HA SER A 28 2.378 9.251 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.537 10.324 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.557 8.955 -3.034 1.00 0.00 H new ATOM 0 HG SER A 28 3.829 8.513 -2.860 1.00 0.00 H new ATOM 383 N TYR A 29 1.324 6.906 -5.322 1.00 0.00 N ATOM 384 CA TYR A 29 0.589 5.653 -5.351 1.00 0.00 C ATOM 385 C TYR A 29 0.886 4.813 -4.107 1.00 0.00 C ATOM 386 O TYR A 29 1.982 4.884 -3.554 1.00 0.00 O ATOM 387 CB TYR A 29 1.083 4.902 -6.589 1.00 0.00 C ATOM 388 CG TYR A 29 0.491 5.413 -7.904 1.00 0.00 C ATOM 389 CD1 TYR A 29 1.082 6.473 -8.560 1.00 0.00 C ATOM 390 CD2 TYR A 29 -0.632 4.813 -8.434 1.00 0.00 C ATOM 391 CE1 TYR A 29 0.526 6.954 -9.798 1.00 0.00 C ATOM 392 CE2 TYR A 29 -1.189 5.293 -9.672 1.00 0.00 C ATOM 393 CZ TYR A 29 -0.583 6.340 -10.293 1.00 0.00 C ATOM 394 OH TYR A 29 -1.108 6.795 -11.462 1.00 0.00 O ATOM 0 H TYR A 29 2.339 6.804 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.485 5.839 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.169 4.978 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.842 3.845 -6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.962 6.942 -8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.094 3.983 -7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.979 7.783 -10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.068 4.832 -10.098 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.393 7.167 -12.019 1.00 0.00 H new ATOM 404 N THR A 30 -0.109 4.038 -3.704 1.00 0.00 N ATOM 405 CA THR A 30 0.040 3.166 -2.552 1.00 0.00 C ATOM 406 C THR A 30 -0.619 1.812 -2.818 1.00 0.00 C ATOM 407 O THR A 30 -1.115 1.564 -3.915 1.00 0.00 O ATOM 408 CB THR A 30 -0.533 3.892 -1.332 1.00 0.00 C ATOM 409 OG1 THR A 30 -0.105 3.102 -0.226 1.00 0.00 O ATOM 410 CG2 THR A 30 -2.060 3.820 -1.273 1.00 0.00 C ATOM 0 H THR A 30 -1.023 3.996 -4.155 1.00 0.00 H new ATOM 0 HA THR A 30 1.090 2.947 -2.355 1.00 0.00 H new ATOM 0 HB THR A 30 -0.219 4.936 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.431 3.502 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.415 4.350 -0.389 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.481 4.281 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.373 2.777 -1.221 1.00 0.00 H new ATOM 418 N CYS A 31 -0.602 0.970 -1.794 1.00 0.00 N ATOM 419 CA CYS A 31 -1.068 -0.398 -1.943 1.00 0.00 C ATOM 420 C CYS A 31 -1.520 -0.904 -0.572 1.00 0.00 C ATOM 421 O CYS A 31 -0.783 -0.797 0.406 1.00 0.00 O ATOM 422 CB CYS A 31 0.006 -1.297 -2.558 1.00 0.00 C ATOM 423 SG CYS A 31 0.183 -1.151 -4.374 1.00 0.00 S ATOM 0 H CYS A 31 -0.273 1.209 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.910 -0.425 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.964 -1.064 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.223 -2.334 -2.312 1.00 0.00 H new ATOM 428 N ASN A 32 -2.729 -1.445 -0.546 1.00 0.00 N ATOM 429 CA ASN A 32 -3.226 -2.105 0.650 1.00 0.00 C ATOM 430 C ASN A 32 -2.574 -3.483 0.776 1.00 0.00 C ATOM 431 O ASN A 32 -2.791 -4.356 -0.064 1.00 0.00 O ATOM 432 CB ASN A 32 -4.742 -2.305 0.578 1.00 0.00 C ATOM 433 CG ASN A 32 -5.450 -1.001 0.204 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.909 0.085 0.325 1.00 0.00 O ATOM 435 ND2 ASN A 32 -6.686 -1.169 -0.256 1.00 0.00 N ATOM 0 H ASN A 32 -3.378 -1.440 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.984 -1.476 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.976 -3.074 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.112 -2.661 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.241 -0.360 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.079 -2.107 -0.332 1.00 0.00 H new ATOM 442 N CYS A 33 -1.787 -3.635 1.830 1.00 0.00 N ATOM 443 CA CYS A 33 -0.922 -4.796 1.956 1.00 0.00 C ATOM 444 C CYS A 33 -1.516 -5.724 3.018 1.00 0.00 C ATOM 445 O CYS A 33 -2.734 -5.879 3.101 1.00 0.00 O ATOM 446 CB CYS A 33 0.517 -4.396 2.289 1.00 0.00 C ATOM 447 SG CYS A 33 1.253 -3.165 1.153 1.00 0.00 S ATOM 0 H CYS A 33 -1.730 -2.974 2.605 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.872 -5.321 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.543 -3.995 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.139 -5.291 2.284 1.00 0.00 H new ATOM 452 N VAL A 34 -0.628 -6.317 3.803 1.00 0.00 N ATOM 453 CA VAL A 34 -1.021 -7.395 4.695 1.00 0.00 C ATOM 454 C VAL A 34 -0.287 -7.240 6.029 1.00 0.00 C ATOM 455 O VAL A 34 0.429 -6.263 6.237 1.00 0.00 O ATOM 456 CB VAL A 34 -0.767 -8.747 4.025 1.00 0.00 C ATOM 457 CG1 VAL A 34 -1.727 -8.969 2.855 1.00 0.00 C ATOM 458 CG2 VAL A 34 0.689 -8.869 3.571 1.00 0.00 C ATOM 0 H VAL A 34 0.361 -6.072 3.840 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.090 -7.348 4.905 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.954 -9.527 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.525 -9.937 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.754 -8.947 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.587 -8.181 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.843 -9.839 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.915 -8.077 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.348 -8.778 4.434 1.00 0.00 H new ATOM 468 N ILE A 35 -0.492 -8.219 6.897 1.00 0.00 N ATOM 469 CA ILE A 35 0.059 -8.156 8.241 1.00 0.00 C ATOM 470 C ILE A 35 1.586 -8.124 8.159 1.00 0.00 C ATOM 471 O ILE A 35 2.178 -8.754 7.284 1.00 0.00 O ATOM 472 CB ILE A 35 -0.488 -9.298 9.098 1.00 0.00 C ATOM 473 CG1 ILE A 35 0.408 -10.535 9.000 1.00 0.00 C ATOM 474 CG2 ILE A 35 -1.940 -9.613 8.733 1.00 0.00 C ATOM 475 CD1 ILE A 35 1.270 -10.689 10.255 1.00 0.00 C ATOM 0 H ILE A 35 -1.032 -9.061 6.697 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.253 -7.238 8.739 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.481 -8.976 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.208 -11.425 8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.049 -10.456 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.303 -10.429 9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.556 -8.729 8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.996 -9.906 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.897 -11.575 10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.902 -9.809 10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.626 -10.793 11.128 1.00 0.00 H new ATOM 487 N GLY A 36 2.180 -7.384 9.083 1.00 0.00 N ATOM 488 CA GLY A 36 3.620 -7.192 9.076 1.00 0.00 C ATOM 489 C GLY A 36 4.113 -6.791 7.684 1.00 0.00 C ATOM 490 O GLY A 36 5.208 -7.174 7.274 1.00 0.00 O ATOM 0 H GLY A 36 1.690 -6.910 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.891 -6.421 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.115 -8.111 9.390 1.00 0.00 H new ATOM 494 N TYR A 37 3.281 -6.024 6.995 1.00 0.00 N ATOM 495 CA TYR A 37 3.607 -5.587 5.647 1.00 0.00 C ATOM 496 C TYR A 37 2.891 -4.278 5.308 1.00 0.00 C ATOM 497 O TYR A 37 1.664 -4.243 5.216 1.00 0.00 O ATOM 498 CB TYR A 37 3.101 -6.688 4.714 1.00 0.00 C ATOM 499 CG TYR A 37 4.203 -7.606 4.180 1.00 0.00 C ATOM 500 CD1 TYR A 37 5.207 -7.090 3.387 1.00 0.00 C ATOM 501 CD2 TYR A 37 4.194 -8.950 4.494 1.00 0.00 C ATOM 502 CE1 TYR A 37 6.245 -7.952 2.885 1.00 0.00 C ATOM 503 CE2 TYR A 37 5.231 -9.813 3.992 1.00 0.00 C ATOM 504 CZ TYR A 37 6.206 -9.272 3.212 1.00 0.00 C ATOM 505 OH TYR A 37 7.185 -10.087 2.739 1.00 0.00 O ATOM 0 H TYR A 37 2.381 -5.694 7.344 1.00 0.00 H new ATOM 0 HA TYR A 37 4.679 -5.414 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.366 -7.291 5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.586 -6.227 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.214 -6.038 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.409 -9.354 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.036 -7.560 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.235 -10.867 4.229 1.00 0.00 H new ATOM 0 HH TYR A 37 7.029 -11.002 3.053 1.00 0.00 H new ATOM 515 N SER A 38 3.687 -3.234 5.129 1.00 0.00 N ATOM 516 CA SER A 38 3.146 -1.930 4.788 1.00 0.00 C ATOM 517 C SER A 38 4.256 -1.027 4.249 1.00 0.00 C ATOM 518 O SER A 38 5.283 -1.514 3.776 1.00 0.00 O ATOM 519 CB SER A 38 2.474 -1.279 5.998 1.00 0.00 C ATOM 520 OG SER A 38 3.416 -0.632 6.849 1.00 0.00 O ATOM 0 H SER A 38 4.703 -3.265 5.214 1.00 0.00 H new ATOM 0 HA SER A 38 2.390 -2.066 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.736 -0.553 5.656 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.935 -2.038 6.565 1.00 0.00 H new ATOM 0 HG SER A 38 2.947 -0.228 7.609 1.00 0.00 H new ATOM 526 N GLY A 39 4.015 0.272 4.337 1.00 0.00 N ATOM 527 CA GLY A 39 4.954 1.246 3.808 1.00 0.00 C ATOM 528 C GLY A 39 4.479 1.789 2.459 1.00 0.00 C ATOM 529 O GLY A 39 3.764 2.788 2.405 1.00 0.00 O ATOM 0 H GLY A 39 3.182 0.673 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.068 2.068 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.935 0.785 3.694 1.00 0.00 H new ATOM 533 N ASP A 40 4.895 1.107 1.402 1.00 0.00 N ATOM 534 CA ASP A 40 4.457 1.459 0.063 1.00 0.00 C ATOM 535 C ASP A 40 4.852 0.346 -0.909 1.00 0.00 C ATOM 536 O ASP A 40 6.022 -0.027 -0.990 1.00 0.00 O ATOM 537 CB ASP A 40 5.119 2.756 -0.410 1.00 0.00 C ATOM 538 CG ASP A 40 4.616 3.286 -1.754 1.00 0.00 C ATOM 539 OD1 ASP A 40 3.754 2.672 -2.401 1.00 0.00 O ATOM 540 OD2 ASP A 40 5.154 4.392 -2.139 1.00 0.00 O ATOM 0 H ASP A 40 5.532 0.311 1.446 1.00 0.00 H new ATOM 0 HA ASP A 40 3.376 1.593 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.962 3.524 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.194 2.593 -0.480 1.00 0.00 H new ATOM 546 N ARG A 41 3.854 -0.156 -1.621 1.00 0.00 N ATOM 547 CA ARG A 41 4.055 -1.308 -2.484 1.00 0.00 C ATOM 548 C ARG A 41 4.298 -2.564 -1.644 1.00 0.00 C ATOM 549 O ARG A 41 4.797 -3.566 -2.151 1.00 0.00 O ATOM 550 CB ARG A 41 5.244 -1.093 -3.422 1.00 0.00 C ATOM 551 CG ARG A 41 5.209 -2.084 -4.587 1.00 0.00 C ATOM 552 CD ARG A 41 6.587 -2.710 -4.816 1.00 0.00 C ATOM 553 NE ARG A 41 7.547 -1.674 -5.258 1.00 0.00 N ATOM 554 CZ ARG A 41 8.660 -1.334 -4.575 1.00 0.00 C ATOM 555 NH1 ARG A 41 8.932 -1.957 -3.443 1.00 0.00 N ATOM 556 NH2 ARG A 41 9.484 -0.372 -5.043 1.00 0.00 N ATOM 0 H ARG A 41 2.903 0.214 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 41 3.153 -1.435 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.229 -0.073 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.175 -1.211 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.479 -2.867 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.882 -1.574 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.941 -3.177 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.518 -3.497 -5.567 1.00 0.00 H new ATOM 0 HE ARG A 41 7.355 -1.187 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.305 -2.683 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.769 -1.712 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.267 0.104 -5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.323 -0.121 -4.521 1.00 0.00 H new ATOM 569 N CYS A 42 3.932 -2.467 -0.374 1.00 0.00 N ATOM 570 CA CYS A 42 4.208 -3.538 0.568 1.00 0.00 C ATOM 571 C CYS A 42 5.724 -3.730 0.647 1.00 0.00 C ATOM 572 O CYS A 42 6.270 -4.653 0.045 1.00 0.00 O ATOM 573 CB CYS A 42 3.490 -4.832 0.179 1.00 0.00 C ATOM 574 SG CYS A 42 1.765 -4.611 -0.389 1.00 0.00 S ATOM 0 H CYS A 42 3.447 -1.663 0.024 1.00 0.00 H new ATOM 0 HA CYS A 42 3.825 -3.268 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.058 -5.323 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.492 -5.504 1.037 1.00 0.00 H new ATOM 579 N GLN A 43 6.362 -2.841 1.396 1.00 0.00 N ATOM 580 CA GLN A 43 7.813 -2.765 1.394 1.00 0.00 C ATOM 581 C GLN A 43 8.360 -3.031 2.799 1.00 0.00 C ATOM 582 O GLN A 43 9.223 -3.887 2.981 1.00 0.00 O ATOM 583 CB GLN A 43 8.291 -1.412 0.868 1.00 0.00 C ATOM 584 CG GLN A 43 9.818 -1.322 0.891 1.00 0.00 C ATOM 585 CD GLN A 43 10.441 -2.316 -0.093 1.00 0.00 C ATOM 586 OE1 GLN A 43 10.925 -1.957 -1.154 1.00 0.00 O ATOM 587 NE2 GLN A 43 10.402 -3.579 0.318 1.00 0.00 N ATOM 0 H GLN A 43 5.900 -2.168 2.008 1.00 0.00 H new ATOM 0 HA GLN A 43 8.196 -3.534 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.930 -1.266 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.867 -0.612 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.130 -0.309 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.183 -1.525 1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.982 -3.810 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.793 -4.318 -0.267 1.00 0.00 H new ATOM 596 N THR A 44 7.833 -2.280 3.756 1.00 0.00 N ATOM 597 CA THR A 44 8.196 -2.478 5.148 1.00 0.00 C ATOM 598 C THR A 44 7.731 -3.855 5.630 1.00 0.00 C ATOM 599 O THR A 44 6.665 -3.977 6.232 1.00 0.00 O ATOM 600 CB THR A 44 7.612 -1.321 5.959 1.00 0.00 C ATOM 601 OG1 THR A 44 8.002 -0.158 5.235 1.00 0.00 O ATOM 602 CG2 THR A 44 8.292 -1.158 7.321 1.00 0.00 C ATOM 0 H THR A 44 7.157 -1.533 3.594 1.00 0.00 H new ATOM 0 HA THR A 44 9.278 -2.471 5.279 1.00 0.00 H new ATOM 0 HB THR A 44 6.544 -1.482 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.663 0.640 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.840 -0.323 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.167 -2.072 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.355 -0.963 7.176 1.00 0.00 H new ATOM 610 N ARG A 45 8.551 -4.855 5.345 1.00 0.00 N ATOM 611 CA ARG A 45 8.239 -6.216 5.748 1.00 0.00 C ATOM 612 C ARG A 45 8.663 -6.451 7.198 1.00 0.00 C ATOM 613 O ARG A 45 9.838 -6.687 7.474 1.00 0.00 O ATOM 614 CB ARG A 45 8.944 -7.231 4.846 1.00 0.00 C ATOM 615 CG ARG A 45 8.581 -8.664 5.245 1.00 0.00 C ATOM 616 CD ARG A 45 9.426 -9.678 4.472 1.00 0.00 C ATOM 617 NE ARG A 45 10.808 -9.694 5.002 1.00 0.00 N ATOM 618 CZ ARG A 45 11.870 -9.161 4.361 1.00 0.00 C ATOM 619 NH1 ARG A 45 11.686 -8.584 3.188 1.00 0.00 N ATOM 620 NH2 ARG A 45 13.101 -9.217 4.911 1.00 0.00 N ATOM 0 H ARG A 45 9.431 -4.751 4.840 1.00 0.00 H new ATOM 0 HA ARG A 45 7.161 -6.351 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.663 -7.057 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.023 -7.094 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.735 -8.797 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.523 -8.843 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.984 -10.671 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.437 -9.422 3.413 1.00 0.00 H new ATOM 0 HE ARG A 45 10.968 -10.135 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.752 -8.546 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.478 -8.176 2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.235 -9.665 5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.898 -8.812 4.420 1.00 0.00 H new ATOM 633 N ASP A 46 7.683 -6.378 8.087 1.00 0.00 N ATOM 634 CA ASP A 46 7.919 -6.683 9.488 1.00 0.00 C ATOM 635 C ASP A 46 8.181 -8.183 9.641 1.00 0.00 C ATOM 636 O ASP A 46 8.252 -8.909 8.652 1.00 0.00 O ATOM 637 CB ASP A 46 6.701 -6.326 10.342 1.00 0.00 C ATOM 638 CG ASP A 46 6.136 -4.924 10.108 1.00 0.00 C ATOM 639 OD1 ASP A 46 6.119 -4.082 11.018 1.00 0.00 O ATOM 640 OD2 ASP A 46 5.693 -4.706 8.915 1.00 0.00 O ATOM 0 H ASP A 46 6.724 -6.112 7.864 1.00 0.00 H new ATOM 0 HA ASP A 46 8.776 -6.098 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.914 -7.055 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.973 -6.421 11.393 1.00 0.00 H new ATOM 646 N LEU A 47 8.318 -8.601 10.892 1.00 0.00 N ATOM 647 CA LEU A 47 8.651 -9.985 11.184 1.00 0.00 C ATOM 648 C LEU A 47 7.412 -10.858 10.975 1.00 0.00 C ATOM 649 O LEU A 47 7.509 -12.085 10.953 1.00 0.00 O ATOM 650 CB LEU A 47 9.259 -10.105 12.583 1.00 0.00 C ATOM 651 CG LEU A 47 10.467 -9.212 12.868 1.00 0.00 C ATOM 652 CD1 LEU A 47 11.362 -9.829 13.944 1.00 0.00 C ATOM 653 CD2 LEU A 47 11.241 -8.909 11.584 1.00 0.00 C ATOM 0 H LEU A 47 8.205 -8.006 11.713 1.00 0.00 H new ATOM 0 HA LEU A 47 9.416 -10.347 10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.484 -9.878 13.315 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.554 -11.142 12.742 1.00 0.00 H new ATOM 0 HG LEU A 47 10.104 -8.261 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.214 -9.174 14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.792 -9.951 14.865 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.719 -10.802 13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.095 -8.272 11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.593 -9.841 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.588 -8.397 10.878 1.00 0.00 H new ATOM 665 N ARG A 48 6.277 -10.193 10.827 1.00 0.00 N ATOM 666 CA ARG A 48 5.049 -10.880 10.460 1.00 0.00 C ATOM 667 C ARG A 48 4.657 -11.882 11.547 1.00 0.00 C ATOM 668 O ARG A 48 4.615 -13.086 11.300 1.00 0.00 O ATOM 669 CB ARG A 48 5.207 -11.618 9.129 1.00 0.00 C ATOM 670 CG ARG A 48 3.959 -11.454 8.259 1.00 0.00 C ATOM 671 CD ARG A 48 4.296 -11.632 6.778 1.00 0.00 C ATOM 672 NE ARG A 48 3.054 -11.630 5.973 1.00 0.00 N ATOM 673 CZ ARG A 48 2.897 -12.317 4.822 1.00 0.00 C ATOM 674 NH1 ARG A 48 3.898 -13.050 4.372 1.00 0.00 N ATOM 675 NH2 ARG A 48 1.733 -12.256 4.140 1.00 0.00 N ATOM 0 H ARG A 48 6.181 -9.186 10.954 1.00 0.00 H new ATOM 0 HA ARG A 48 4.267 -10.128 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.078 -11.234 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.388 -12.677 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.207 -12.185 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.526 -10.467 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.955 -10.829 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.834 -12.568 6.629 1.00 0.00 H new ATOM 0 HE ARG A 48 2.267 -11.075 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.774 -13.091 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.795 -13.575 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.964 -11.687 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.623 -12.779 3.271 1.00 0.00 H new ATOM 688 N TRP A 49 4.381 -11.348 12.729 1.00 0.00 N ATOM 689 CA TRP A 49 3.936 -12.174 13.837 1.00 0.00 C ATOM 690 C TRP A 49 2.798 -13.066 13.336 1.00 0.00 C ATOM 691 O TRP A 49 1.985 -12.639 12.518 1.00 0.00 O ATOM 692 CB TRP A 49 3.536 -11.312 15.036 1.00 0.00 C ATOM 693 CG TRP A 49 2.496 -10.237 14.712 1.00 0.00 C ATOM 694 CD1 TRP A 49 1.215 -10.410 14.358 1.00 0.00 C ATOM 695 CD2 TRP A 49 2.702 -8.810 14.727 1.00 0.00 C ATOM 696 NE1 TRP A 49 0.583 -9.202 14.144 1.00 0.00 N ATOM 697 CE2 TRP A 49 1.516 -8.198 14.375 1.00 0.00 C ATOM 698 CE3 TRP A 49 3.852 -8.059 15.028 1.00 0.00 C ATOM 699 CZ2 TRP A 49 1.365 -6.808 14.292 1.00 0.00 C ATOM 700 CZ3 TRP A 49 3.685 -6.672 14.940 1.00 0.00 C ATOM 701 CH2 TRP A 49 2.498 -6.041 14.587 1.00 0.00 C ATOM 0 H TRP A 49 4.457 -10.353 12.942 1.00 0.00 H new ATOM 0 HA TRP A 49 4.746 -12.811 14.193 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.142 -11.959 15.820 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.428 -10.831 15.438 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.738 -11.373 14.253 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.390 -9.070 13.867 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.790 -8.516 15.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.425 -6.353 14.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.538 -6.048 15.162 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.450 -4.963 14.541 1.00 0.00 H new ATOM 712 N TRP A 50 2.776 -14.287 13.849 1.00 0.00 N ATOM 713 CA TRP A 50 1.762 -15.248 13.450 1.00 0.00 C ATOM 714 C TRP A 50 1.367 -16.058 14.686 1.00 0.00 C ATOM 715 O TRP A 50 1.989 -15.933 15.740 1.00 0.00 O ATOM 716 CB TRP A 50 2.257 -16.121 12.296 1.00 0.00 C ATOM 717 CG TRP A 50 2.158 -15.453 10.923 1.00 0.00 C ATOM 718 CD1 TRP A 50 1.152 -14.713 10.437 1.00 0.00 C ATOM 719 CD2 TRP A 50 3.146 -15.495 9.872 1.00 0.00 C ATOM 720 NE1 TRP A 50 1.418 -14.277 9.155 1.00 0.00 N ATOM 721 CE2 TRP A 50 2.669 -14.768 8.801 1.00 0.00 C ATOM 722 CE3 TRP A 50 4.401 -16.128 9.829 1.00 0.00 C ATOM 723 CZ2 TRP A 50 3.384 -14.603 7.609 1.00 0.00 C ATOM 724 CZ3 TRP A 50 5.101 -15.954 8.630 1.00 0.00 C ATOM 725 CH2 TRP A 50 4.636 -15.224 7.541 1.00 0.00 C ATOM 0 H TRP A 50 3.444 -14.633 14.538 1.00 0.00 H new ATOM 0 HA TRP A 50 0.877 -14.739 13.069 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.296 -16.395 12.481 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.681 -17.046 12.281 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.247 -14.486 10.980 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.809 -13.701 8.574 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.793 -16.702 10.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.990 -14.027 6.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 6.072 -16.420 8.544 1.00 0.00 H new ATOM 0 HH2 TRP A 50 5.238 -15.137 6.648 1.00 0.00 H new ATOM 736 N GLU A 51 0.335 -16.872 14.516 1.00 0.00 N ATOM 737 CA GLU A 51 -0.181 -17.666 15.617 1.00 0.00 C ATOM 738 C GLU A 51 -0.672 -19.023 15.110 1.00 0.00 C ATOM 739 O GLU A 51 -1.054 -19.153 13.948 1.00 0.00 O ATOM 740 CB GLU A 51 -1.296 -16.920 16.355 1.00 0.00 C ATOM 741 CG GLU A 51 -2.195 -16.167 15.373 1.00 0.00 C ATOM 742 CD GLU A 51 -3.457 -15.654 16.068 1.00 0.00 C ATOM 743 OE1 GLU A 51 -3.487 -14.504 16.530 1.00 0.00 O ATOM 744 OE2 GLU A 51 -4.433 -16.496 16.119 1.00 0.00 O ATOM 0 H GLU A 51 -0.157 -16.998 13.632 1.00 0.00 H new ATOM 0 HA GLU A 51 0.629 -17.837 16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.893 -17.628 16.931 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.860 -16.218 17.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.647 -15.329 14.942 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.471 -16.825 14.549 1.00 0.00 H new ATOM 752 N LEU A 52 -0.646 -19.999 16.005 1.00 0.00 N ATOM 753 CA LEU A 52 -1.081 -21.342 15.661 1.00 0.00 C ATOM 754 C LEU A 52 -1.472 -22.089 16.938 1.00 0.00 C ATOM 755 O LEU A 52 -1.136 -21.660 18.040 1.00 0.00 O ATOM 756 CB LEU A 52 -0.009 -22.056 14.835 1.00 0.00 C ATOM 757 CG LEU A 52 1.217 -22.547 15.607 1.00 0.00 C ATOM 758 CD1 LEU A 52 1.811 -21.426 16.462 1.00 0.00 C ATOM 759 CD2 LEU A 52 0.882 -23.787 16.439 1.00 0.00 C ATOM 0 H LEU A 52 -0.330 -19.887 16.968 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.968 -21.306 15.028 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.469 -22.912 14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.328 -21.379 14.050 1.00 0.00 H new ATOM 0 HG LEU A 52 1.980 -22.841 14.886 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.681 -21.801 17.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.111 -20.598 15.819 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.064 -21.079 17.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.771 -24.115 16.977 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.094 -23.545 17.153 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.541 -24.586 15.780 1.00 0.00 H new ATOM 771 N ARG A 53 -2.177 -23.193 16.746 1.00 0.00 N ATOM 772 CA ARG A 53 -2.618 -24.005 17.868 1.00 0.00 C ATOM 773 C ARG A 53 -2.905 -25.436 17.409 1.00 0.00 C ATOM 774 O ARG A 53 -3.529 -25.644 16.371 1.00 0.00 O ATOM 775 CB ARG A 53 -3.878 -23.421 18.509 1.00 0.00 C ATOM 776 CG ARG A 53 -4.202 -24.129 19.826 1.00 0.00 C ATOM 777 CD ARG A 53 -5.409 -23.485 20.512 1.00 0.00 C ATOM 778 NE ARG A 53 -5.078 -22.101 20.922 1.00 0.00 N ATOM 779 CZ ARG A 53 -4.384 -21.787 22.036 1.00 0.00 C ATOM 780 NH1 ARG A 53 -3.974 -22.759 22.829 1.00 0.00 N ATOM 781 NH2 ARG A 53 -4.113 -20.498 22.335 1.00 0.00 N ATOM 782 OXT ARG A 53 -2.445 -26.359 18.183 1.00 0.00 O ATOM 0 H ARG A 53 -2.454 -23.545 15.830 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.817 -24.011 18.607 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.738 -22.355 18.690 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.719 -23.520 17.822 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.407 -25.183 19.636 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.337 -24.087 20.488 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.263 -23.478 19.834 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.699 -24.072 21.383 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.394 -21.337 20.325 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.183 -23.730 22.596 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.448 -22.539 23.675 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.434 -19.753 21.717 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.588 -20.270 23.179 1.00 0.00 H new TER 796 ARG A 53