USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ -159:sc= -3.67! (180deg=-3.87!) USER MOD Set 1.2: A 82 TYR OH : rot -38:sc= -16.3! USER MOD Set 1.3: A 93 TYR OH : rot 17:sc= -15.4! USER MOD Set 1.4: A 94 HIS : no HE2:sc= -44.6! C(o=-80!,f=-66!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 156:sc= -0.729! (180deg=0.163) USER MOD Set 2.2: A 64 TYR OH : rot -129:sc= -12.3! USER MOD Set 3.1: A 39 SER OG : rot -156:sc= 0.654 USER MOD Set 3.2: A 41 THR OG1 : rot 110:sc= -7.51! USER MOD Set 3.3: A 46 THR OG1 : rot 69:sc= -4.48! USER MOD Set 3.4: A 65 HIS : no HE2:sc= -23.1! C(o=-34!,f=-49!) USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 20 LYS NZ :NH3+ -123:sc= -2.35! (180deg=-4.01!) USER MOD Set 5.1: A 13 ASN : amide:sc= -25! C(o=-56!,f=-54!) USER MOD Set 5.2: A 35 MET CE :methyl 158:sc= -31.4! (180deg=-26.4!) USER MOD Single : A 8 THR OG1 : rot -87:sc= 1.21 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.735 USER MOD Single : A 12 TYR OH : rot 72:sc= -3.55! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 24:sc= -0.541 USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= -4.9! (180deg=-9.47!) USER MOD Single : A 44 THR OG1 : rot -151:sc= -4.61! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 102:sc= -15.8! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -20.1! C(o=-20!,f=-21!) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.891) USER MOD Single : A 69 THR OG1 : rot -106:sc= 0.383 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.43! USER MOD Single : A 86 SER OG : rot -167:sc= -11! USER MOD Single : A 92 GLN : amide:sc= -7.9! C(o=-7.9!,f=-3.4!) USER MOD Single : A 95 GLN : amide:sc= -22.1! C(o=-22!,f=-19!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -33! C(o=-33!,f=-26!) USER MOD Single : A 103 THR OG1 : rot 58:sc= -3.21! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 17:sc= -0.0363 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -7.094 8.427 6.109 1.00 0.00 N ATOM 36 CA LEU A 6 -5.985 7.663 6.668 1.00 0.00 C ATOM 37 C LEU A 6 -4.931 8.586 7.268 1.00 0.00 C ATOM 38 O LEU A 6 -4.938 8.856 8.469 1.00 0.00 O ATOM 39 CB LEU A 6 -5.352 6.776 5.593 1.00 0.00 C ATOM 40 CG LEU A 6 -6.207 6.541 4.347 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.373 5.893 3.257 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.414 5.676 4.677 1.00 0.00 C ATOM 0 HA LEU A 6 -6.381 7.031 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.408 7.226 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.115 5.809 6.037 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.568 7.505 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.991 5.730 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.539 6.546 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.989 4.937 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.008 5.522 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.077 4.712 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.023 6.173 5.432 1.00 0.00 H new ATOM 54 N GLU A 7 -4.027 9.067 6.424 1.00 0.00 N ATOM 55 CA GLU A 7 -2.961 9.960 6.862 1.00 0.00 C ATOM 56 C GLU A 7 -2.605 9.725 8.321 1.00 0.00 C ATOM 57 O GLU A 7 -2.199 10.647 9.030 1.00 0.00 O ATOM 58 CB GLU A 7 -3.362 11.420 6.645 1.00 0.00 C ATOM 59 CG GLU A 7 -4.852 11.615 6.420 1.00 0.00 C ATOM 60 CD GLU A 7 -5.311 13.023 6.745 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.708 13.652 7.639 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.274 13.496 6.106 1.00 0.00 O ATOM 0 H GLU A 7 -4.011 8.852 5.427 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.079 9.742 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.054 12.005 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.819 11.813 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.091 11.389 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.405 10.905 7.036 1.00 0.00 H new ATOM 69 N THR A 8 -2.758 8.487 8.766 1.00 0.00 N ATOM 70 CA THR A 8 -2.456 8.126 10.132 1.00 0.00 C ATOM 71 C THR A 8 -1.811 6.747 10.192 1.00 0.00 C ATOM 72 O THR A 8 -1.604 6.193 11.272 1.00 0.00 O ATOM 73 CB THR A 8 -3.738 8.144 10.950 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.710 7.288 10.376 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.347 9.523 11.064 1.00 0.00 C ATOM 0 H THR A 8 -3.093 7.714 8.191 1.00 0.00 H new ATOM 0 HA THR A 8 -1.751 8.848 10.545 1.00 0.00 H new ATOM 0 HB THR A 8 -3.456 7.804 11.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.215 7.778 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.259 9.470 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.638 10.195 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.584 9.899 10.069 1.00 0.00 H new ATOM 83 N TYR A 9 -1.511 6.188 9.023 1.00 0.00 N ATOM 84 CA TYR A 9 -0.909 4.867 8.942 1.00 0.00 C ATOM 85 C TYR A 9 0.543 4.928 8.506 1.00 0.00 C ATOM 86 O TYR A 9 0.873 5.532 7.486 1.00 0.00 O ATOM 87 CB TYR A 9 -1.694 4.007 7.968 1.00 0.00 C ATOM 88 CG TYR A 9 -3.156 3.974 8.311 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.628 3.104 9.279 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.059 4.826 7.689 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.960 3.075 9.621 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.398 4.806 8.030 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.843 3.929 8.996 1.00 0.00 C ATOM 94 OH TYR A 9 -7.177 3.905 9.337 1.00 0.00 O ATOM 0 H TYR A 9 -1.676 6.632 8.120 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.939 4.430 9.940 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.566 4.393 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.295 2.993 7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.938 2.436 9.774 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.711 5.512 6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.312 2.387 10.375 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.092 5.474 7.542 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.617 4.710 8.993 1.00 0.00 H new ATOM 104 N GLU A 10 1.407 4.273 9.268 1.00 0.00 N ATOM 105 CA GLU A 10 2.820 4.232 8.935 1.00 0.00 C ATOM 106 C GLU A 10 2.974 4.024 7.442 1.00 0.00 C ATOM 107 O GLU A 10 4.000 4.356 6.849 1.00 0.00 O ATOM 108 CB GLU A 10 3.515 3.086 9.662 1.00 0.00 C ATOM 109 CG GLU A 10 2.549 2.064 10.217 1.00 0.00 C ATOM 110 CD GLU A 10 3.223 1.052 11.124 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.349 1.328 11.588 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.623 -0.015 11.370 1.00 0.00 O ATOM 0 H GLU A 10 1.155 3.766 10.116 1.00 0.00 H new ATOM 0 HA GLU A 10 3.275 5.174 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.203 2.592 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.114 3.491 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.764 2.577 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.066 1.541 9.392 1.00 0.00 H new ATOM 119 N TRP A 11 1.946 3.436 6.848 1.00 0.00 N ATOM 120 CA TRP A 11 1.961 3.141 5.434 1.00 0.00 C ATOM 121 C TRP A 11 1.460 4.301 4.586 1.00 0.00 C ATOM 122 O TRP A 11 2.003 4.562 3.515 1.00 0.00 O ATOM 123 CB TRP A 11 1.128 1.897 5.150 1.00 0.00 C ATOM 124 CG TRP A 11 -0.176 1.814 5.906 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.424 1.141 7.074 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.427 2.384 5.508 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.754 1.260 7.415 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.385 2.020 6.470 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.824 3.168 4.432 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.717 2.413 6.379 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.145 3.559 4.340 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.079 3.180 5.309 1.00 0.00 C ATOM 0 H TRP A 11 1.092 3.156 7.330 1.00 0.00 H new ATOM 0 HA TRP A 11 3.001 2.965 5.158 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.914 1.858 4.082 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.725 1.017 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.315 0.597 7.644 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.195 0.849 8.237 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.110 3.467 3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.439 2.122 7.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.462 4.168 3.506 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.106 3.500 5.209 1.00 0.00 H new ATOM 143 N TYR A 12 0.414 4.983 5.033 1.00 0.00 N ATOM 144 CA TYR A 12 -0.131 6.082 4.250 1.00 0.00 C ATOM 145 C TYR A 12 0.849 7.234 4.110 1.00 0.00 C ATOM 146 O TYR A 12 1.527 7.622 5.061 1.00 0.00 O ATOM 147 CB TYR A 12 -1.440 6.602 4.827 1.00 0.00 C ATOM 148 CG TYR A 12 -2.219 7.409 3.815 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.813 6.788 2.726 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.349 8.786 3.935 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.516 7.512 1.788 1.00 0.00 C ATOM 152 CE2 TYR A 12 -3.053 9.520 3.001 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.635 8.878 1.929 1.00 0.00 C ATOM 154 OH TYR A 12 -4.338 9.606 0.996 1.00 0.00 O ATOM 0 H TYR A 12 -0.065 4.800 5.915 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.323 5.668 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.046 5.762 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.232 7.219 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.723 5.718 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.892 9.292 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.972 7.012 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.147 10.590 3.110 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.297 9.431 1.100 1.00 0.00 H new ATOM 164 N ASN A 13 0.901 7.773 2.900 1.00 0.00 N ATOM 165 CA ASN A 13 1.777 8.887 2.580 1.00 0.00 C ATOM 166 C ASN A 13 1.082 9.839 1.611 1.00 0.00 C ATOM 167 O ASN A 13 1.013 9.580 0.410 1.00 0.00 O ATOM 168 CB ASN A 13 3.071 8.353 1.978 1.00 0.00 C ATOM 169 CG ASN A 13 3.835 7.503 2.969 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.803 7.955 3.580 1.00 0.00 O ATOM 171 ND2 ASN A 13 3.397 6.261 3.131 1.00 0.00 N ATOM 0 H ASN A 13 0.337 7.449 2.114 1.00 0.00 H new ATOM 0 HA ASN A 13 2.012 9.441 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.844 7.763 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.695 9.187 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.867 5.636 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.590 5.932 2.601 1.00 0.00 H new ATOM 178 N LYS A 14 0.546 10.931 2.147 1.00 0.00 N ATOM 179 CA LYS A 14 -0.168 11.913 1.339 1.00 0.00 C ATOM 180 C LYS A 14 0.757 12.611 0.344 1.00 0.00 C ATOM 181 O LYS A 14 1.961 12.728 0.570 1.00 0.00 O ATOM 182 CB LYS A 14 -0.835 12.954 2.239 1.00 0.00 C ATOM 183 CG LYS A 14 0.126 13.626 3.206 1.00 0.00 C ATOM 184 CD LYS A 14 -0.617 14.333 4.329 1.00 0.00 C ATOM 185 CE LYS A 14 -2.122 14.287 4.116 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.852 15.088 5.137 1.00 0.00 N ATOM 0 H LYS A 14 0.593 11.158 3.140 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.929 11.377 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.302 13.716 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.632 12.474 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.800 12.881 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.743 14.345 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.369 13.866 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.288 15.371 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.360 14.664 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.463 13.252 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.875 15.031 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.646 14.713 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.546 16.081 5.083 1.00 0.00 H new ATOM 200 N SER A 15 0.171 13.083 -0.755 1.00 0.00 N ATOM 201 CA SER A 15 0.918 13.788 -1.795 1.00 0.00 C ATOM 202 C SER A 15 2.109 12.971 -2.291 1.00 0.00 C ATOM 203 O SER A 15 2.929 13.467 -3.065 1.00 0.00 O ATOM 204 CB SER A 15 1.402 15.141 -1.270 1.00 0.00 C ATOM 205 OG SER A 15 0.468 16.166 -1.563 1.00 0.00 O ATOM 0 H SER A 15 -0.826 12.989 -0.949 1.00 0.00 H new ATOM 0 HA SER A 15 0.243 13.941 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.556 15.082 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.366 15.384 -1.717 1.00 0.00 H new ATOM 0 HG SER A 15 0.800 17.020 -1.216 1.00 0.00 H new ATOM 211 N ILE A 16 2.208 11.726 -1.841 1.00 0.00 N ATOM 212 CA ILE A 16 3.307 10.860 -2.240 1.00 0.00 C ATOM 213 C ILE A 16 3.183 10.399 -3.685 1.00 0.00 C ATOM 214 O ILE A 16 2.089 10.341 -4.248 1.00 0.00 O ATOM 215 CB ILE A 16 3.388 9.615 -1.345 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.580 9.721 -0.406 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.492 8.354 -2.194 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.221 8.385 -0.112 1.00 0.00 C ATOM 0 H ILE A 16 1.541 11.295 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 16 4.212 11.458 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 16 2.477 9.555 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.324 10.386 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.258 10.177 0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.549 7.481 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.614 8.273 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.388 8.404 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.065 8.527 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.490 7.726 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.571 7.937 -1.042 1.00 0.00 H new ATOM 230 N SER A 17 4.323 10.047 -4.263 1.00 0.00 N ATOM 231 CA SER A 17 4.382 9.555 -5.630 1.00 0.00 C ATOM 232 C SER A 17 5.087 8.205 -5.660 1.00 0.00 C ATOM 233 O SER A 17 5.333 7.604 -4.614 1.00 0.00 O ATOM 234 CB SER A 17 5.115 10.552 -6.528 1.00 0.00 C ATOM 235 OG SER A 17 4.252 11.074 -7.522 1.00 0.00 O ATOM 0 H SER A 17 5.230 10.095 -3.798 1.00 0.00 H new ATOM 0 HA SER A 17 3.366 9.438 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.513 11.367 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.966 10.062 -7.002 1.00 0.00 H new ATOM 0 HG SER A 17 4.745 11.710 -8.082 1.00 0.00 H new ATOM 241 N ARG A 18 5.416 7.732 -6.852 1.00 0.00 N ATOM 242 CA ARG A 18 6.099 6.454 -6.996 1.00 0.00 C ATOM 243 C ARG A 18 7.567 6.569 -6.585 1.00 0.00 C ATOM 244 O ARG A 18 8.152 5.621 -6.063 1.00 0.00 O ATOM 245 CB ARG A 18 5.999 5.956 -8.439 1.00 0.00 C ATOM 246 CG ARG A 18 7.061 6.538 -9.357 1.00 0.00 C ATOM 247 CD ARG A 18 6.551 7.768 -10.090 1.00 0.00 C ATOM 248 NE ARG A 18 5.639 7.419 -11.177 1.00 0.00 N ATOM 249 CZ ARG A 18 6.018 6.784 -12.281 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.286 6.431 -12.444 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.129 6.502 -13.224 1.00 0.00 N ATOM 0 H ARG A 18 5.222 8.211 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 18 5.611 5.736 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.080 4.869 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.014 6.205 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.943 6.801 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.370 5.784 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.040 8.424 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.396 8.327 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 18 4.657 7.677 -11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.972 6.647 -11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.575 5.944 -13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.153 6.773 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.421 6.015 -14.071 1.00 0.00 H new ATOM 265 N ASP A 19 8.156 7.735 -6.840 1.00 0.00 N ATOM 266 CA ASP A 19 9.559 7.975 -6.514 1.00 0.00 C ATOM 267 C ASP A 19 9.784 8.146 -5.011 1.00 0.00 C ATOM 268 O ASP A 19 10.716 7.571 -4.449 1.00 0.00 O ATOM 269 CB ASP A 19 10.065 9.213 -7.255 1.00 0.00 C ATOM 270 CG ASP A 19 11.545 9.132 -7.574 1.00 0.00 C ATOM 271 OD1 ASP A 19 12.027 8.019 -7.876 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.222 10.180 -7.524 1.00 0.00 O ATOM 0 H ASP A 19 7.683 8.529 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 19 10.119 7.096 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.503 9.334 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.875 10.099 -6.649 1.00 0.00 H new ATOM 277 N LYS A 20 8.943 8.950 -4.365 1.00 0.00 N ATOM 278 CA LYS A 20 9.081 9.200 -2.932 1.00 0.00 C ATOM 279 C LYS A 20 8.901 7.922 -2.121 1.00 0.00 C ATOM 280 O LYS A 20 9.738 7.584 -1.279 1.00 0.00 O ATOM 281 CB LYS A 20 8.069 10.251 -2.474 1.00 0.00 C ATOM 282 CG LYS A 20 8.088 11.515 -3.313 1.00 0.00 C ATOM 283 CD LYS A 20 7.029 11.469 -4.399 1.00 0.00 C ATOM 284 CE LYS A 20 5.907 12.458 -4.122 1.00 0.00 C ATOM 285 NZ LYS A 20 5.618 13.316 -5.305 1.00 0.00 N ATOM 0 H LYS A 20 8.163 9.437 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 20 10.091 9.572 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.069 9.819 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.272 10.511 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.919 12.382 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.072 11.639 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.485 11.694 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.619 10.461 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.006 11.914 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.179 13.088 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.718 14.317 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.287 13.091 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.647 13.140 -5.632 1.00 0.00 H new ATOM 299 N ALA A 21 7.810 7.209 -2.373 1.00 0.00 N ATOM 300 CA ALA A 21 7.549 5.973 -1.652 1.00 0.00 C ATOM 301 C ALA A 21 8.692 4.982 -1.856 1.00 0.00 C ATOM 302 O ALA A 21 9.282 4.488 -0.893 1.00 0.00 O ATOM 303 CB ALA A 21 6.211 5.378 -2.056 1.00 0.00 C ATOM 0 H ALA A 21 7.101 7.462 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 21 7.493 6.200 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.041 4.455 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.415 6.088 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.216 5.164 -3.125 1.00 0.00 H new ATOM 309 N GLU A 22 9.030 4.711 -3.108 1.00 0.00 N ATOM 310 CA GLU A 22 10.121 3.797 -3.398 1.00 0.00 C ATOM 311 C GLU A 22 11.389 4.269 -2.694 1.00 0.00 C ATOM 312 O GLU A 22 12.065 3.487 -2.018 1.00 0.00 O ATOM 313 CB GLU A 22 10.357 3.696 -4.906 1.00 0.00 C ATOM 314 CG GLU A 22 9.171 3.132 -5.670 1.00 0.00 C ATOM 315 CD GLU A 22 9.486 1.809 -6.340 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.683 1.491 -6.493 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.533 1.091 -6.712 1.00 0.00 O ATOM 0 H GLU A 22 8.571 5.106 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 22 9.855 2.806 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.592 4.686 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.228 3.067 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.333 2.998 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.854 3.851 -6.425 1.00 0.00 H new ATOM 324 N LYS A 23 11.695 5.558 -2.830 1.00 0.00 N ATOM 325 CA LYS A 23 12.869 6.116 -2.176 1.00 0.00 C ATOM 326 C LYS A 23 12.749 5.909 -0.675 1.00 0.00 C ATOM 327 O LYS A 23 13.664 5.384 -0.040 1.00 0.00 O ATOM 328 CB LYS A 23 13.043 7.602 -2.505 1.00 0.00 C ATOM 329 CG LYS A 23 11.844 8.459 -2.150 1.00 0.00 C ATOM 330 CD LYS A 23 11.944 8.996 -0.730 1.00 0.00 C ATOM 331 CE LYS A 23 10.611 9.537 -0.238 1.00 0.00 C ATOM 332 NZ LYS A 23 10.787 10.670 0.711 1.00 0.00 N ATOM 0 H LYS A 23 11.153 6.225 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 23 13.754 5.600 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.917 7.981 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.247 7.706 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.770 9.291 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.932 7.872 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.283 8.202 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.694 9.786 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.016 9.866 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.053 8.738 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.855 11.010 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.333 10.350 1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.297 11.443 0.238 1.00 0.00 H new ATOM 346 N LEU A 24 11.604 6.292 -0.110 1.00 0.00 N ATOM 347 CA LEU A 24 11.388 6.097 1.319 1.00 0.00 C ATOM 348 C LEU A 24 11.578 4.628 1.655 1.00 0.00 C ATOM 349 O LEU A 24 12.270 4.284 2.613 1.00 0.00 O ATOM 350 CB LEU A 24 9.993 6.552 1.754 1.00 0.00 C ATOM 351 CG LEU A 24 8.874 6.305 0.744 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.197 4.958 0.990 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.862 7.442 0.807 1.00 0.00 C ATOM 0 H LEU A 24 10.829 6.729 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 24 12.113 6.706 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.738 6.043 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.030 7.619 1.974 1.00 0.00 H new ATOM 0 HG LEU A 24 9.308 6.275 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.405 4.810 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.932 4.159 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.770 4.943 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.066 7.261 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.437 7.496 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.358 8.384 0.572 1.00 0.00 H new ATOM 365 N LEU A 25 10.976 3.758 0.844 1.00 0.00 N ATOM 366 CA LEU A 25 11.109 2.324 1.053 1.00 0.00 C ATOM 367 C LEU A 25 12.574 1.930 0.972 1.00 0.00 C ATOM 368 O LEU A 25 13.086 1.217 1.835 1.00 0.00 O ATOM 369 CB LEU A 25 10.302 1.544 0.015 1.00 0.00 C ATOM 370 CG LEU A 25 8.879 1.185 0.444 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.745 1.268 1.953 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.873 2.083 -0.244 1.00 0.00 C ATOM 0 H LEU A 25 10.398 4.021 0.046 1.00 0.00 H new ATOM 0 HA LEU A 25 10.720 2.080 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.252 2.131 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.837 0.625 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 25 8.672 0.158 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.726 1.010 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.442 0.572 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.970 2.282 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.866 1.812 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.071 3.121 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.957 1.963 -1.324 1.00 0.00 H new ATOM 384 N LEU A 26 13.250 2.413 -0.066 1.00 0.00 N ATOM 385 CA LEU A 26 14.664 2.124 -0.247 1.00 0.00 C ATOM 386 C LEU A 26 15.434 2.454 1.027 1.00 0.00 C ATOM 387 O LEU A 26 16.507 1.905 1.279 1.00 0.00 O ATOM 388 CB LEU A 26 15.227 2.926 -1.420 1.00 0.00 C ATOM 389 CG LEU A 26 14.969 2.324 -2.802 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.269 2.193 -3.578 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.284 0.971 -2.672 1.00 0.00 C ATOM 0 H LEU A 26 12.841 3.004 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 26 14.776 1.062 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.800 3.929 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.303 3.034 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 26 14.308 2.993 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.066 1.763 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.721 3.177 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.955 1.545 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.107 0.556 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.921 0.294 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.332 1.093 -2.155 1.00 0.00 H new ATOM 403 N ASP A 27 14.868 3.351 1.831 1.00 0.00 N ATOM 404 CA ASP A 27 15.488 3.754 3.086 1.00 0.00 C ATOM 405 C ASP A 27 15.237 2.707 4.163 1.00 0.00 C ATOM 406 O ASP A 27 16.135 2.355 4.926 1.00 0.00 O ATOM 407 CB ASP A 27 14.945 5.111 3.537 1.00 0.00 C ATOM 408 CG ASP A 27 13.850 4.977 4.578 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.080 4.292 5.597 1.00 0.00 O ATOM 410 OD2 ASP A 27 12.763 5.559 4.375 1.00 0.00 O ATOM 0 H ASP A 27 13.980 3.812 1.633 1.00 0.00 H new ATOM 0 HA ASP A 27 16.563 3.842 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.760 5.708 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.557 5.650 2.673 1.00 0.00 H new ATOM 415 N THR A 28 14.007 2.203 4.210 1.00 0.00 N ATOM 416 CA THR A 28 13.637 1.186 5.186 1.00 0.00 C ATOM 417 C THR A 28 14.411 -0.098 4.923 1.00 0.00 C ATOM 418 O THR A 28 15.085 -0.624 5.808 1.00 0.00 O ATOM 419 CB THR A 28 12.135 0.908 5.121 1.00 0.00 C ATOM 420 OG1 THR A 28 11.665 1.000 3.787 1.00 0.00 O ATOM 421 CG2 THR A 28 11.311 1.857 5.962 1.00 0.00 C ATOM 0 H THR A 28 13.252 2.483 3.584 1.00 0.00 H new ATOM 0 HA THR A 28 13.884 1.554 6.182 1.00 0.00 H new ATOM 0 HB THR A 28 12.013 -0.100 5.516 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.407 0.841 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.255 1.602 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.614 1.775 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.469 2.879 5.618 1.00 0.00 H new ATOM 429 N GLY A 29 14.314 -0.590 3.694 1.00 0.00 N ATOM 430 CA GLY A 29 15.015 -1.805 3.323 1.00 0.00 C ATOM 431 C GLY A 29 14.425 -3.040 3.972 1.00 0.00 C ATOM 432 O GLY A 29 15.156 -3.898 4.468 1.00 0.00 O ATOM 0 H GLY A 29 13.762 -0.169 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.987 -1.920 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.064 -1.716 3.607 1.00 0.00 H new ATOM 436 N LYS A 30 13.101 -3.132 3.967 1.00 0.00 N ATOM 437 CA LYS A 30 12.414 -4.272 4.558 1.00 0.00 C ATOM 438 C LYS A 30 11.691 -5.075 3.491 1.00 0.00 C ATOM 439 O LYS A 30 11.399 -4.564 2.410 1.00 0.00 O ATOM 440 CB LYS A 30 11.389 -3.810 5.585 1.00 0.00 C ATOM 441 CG LYS A 30 11.845 -2.648 6.442 1.00 0.00 C ATOM 442 CD LYS A 30 10.913 -2.451 7.623 1.00 0.00 C ATOM 443 CE LYS A 30 9.555 -3.091 7.369 1.00 0.00 C ATOM 444 NZ LYS A 30 9.123 -3.941 8.513 1.00 0.00 N ATOM 0 H LYS A 30 12.482 -2.431 3.560 1.00 0.00 H new ATOM 0 HA LYS A 30 13.168 -4.893 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.474 -3.526 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.139 -4.649 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.859 -2.830 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.877 -1.738 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.360 -2.884 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.785 -1.386 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.813 -2.312 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.602 -3.696 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.642 -4.790 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.955 -4.225 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.470 -3.403 9.118 1.00 0.00 H new ATOM 458 N GLU A 31 11.376 -6.323 3.806 1.00 0.00 N ATOM 459 CA GLU A 31 10.653 -7.164 2.869 1.00 0.00 C ATOM 460 C GLU A 31 9.159 -6.922 3.016 1.00 0.00 C ATOM 461 O GLU A 31 8.546 -7.336 3.999 1.00 0.00 O ATOM 462 CB GLU A 31 10.972 -8.639 3.118 1.00 0.00 C ATOM 463 CG GLU A 31 10.564 -9.550 1.972 1.00 0.00 C ATOM 464 CD GLU A 31 10.757 -11.017 2.296 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.923 -11.459 2.376 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.743 -11.727 2.471 1.00 0.00 O ATOM 0 H GLU A 31 11.607 -6.770 4.693 1.00 0.00 H new ATOM 0 HA GLU A 31 10.962 -6.911 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.042 -8.746 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.466 -8.963 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.517 -9.371 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.148 -9.298 1.087 1.00 0.00 H new ATOM 473 N GLY A 32 8.580 -6.254 2.029 1.00 0.00 N ATOM 474 CA GLY A 32 7.165 -5.966 2.058 1.00 0.00 C ATOM 475 C GLY A 32 6.858 -4.590 2.621 1.00 0.00 C ATOM 476 O GLY A 32 5.717 -4.315 2.991 1.00 0.00 O ATOM 0 H GLY A 32 9.070 -5.906 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.763 -6.038 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.657 -6.721 2.658 1.00 0.00 H new ATOM 480 N ALA A 33 7.864 -3.714 2.681 1.00 0.00 N ATOM 481 CA ALA A 33 7.644 -2.370 3.196 1.00 0.00 C ATOM 482 C ALA A 33 6.392 -1.786 2.556 1.00 0.00 C ATOM 483 O ALA A 33 6.329 -1.641 1.335 1.00 0.00 O ATOM 484 CB ALA A 33 8.848 -1.488 2.925 1.00 0.00 C ATOM 0 H ALA A 33 8.820 -3.910 2.384 1.00 0.00 H new ATOM 0 HA ALA A 33 7.505 -2.418 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.663 -0.488 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.726 -1.912 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.021 -1.429 1.850 1.00 0.00 H new ATOM 490 N PHE A 34 5.385 -1.495 3.370 1.00 0.00 N ATOM 491 CA PHE A 34 4.122 -0.977 2.856 1.00 0.00 C ATOM 492 C PHE A 34 3.908 0.503 3.162 1.00 0.00 C ATOM 493 O PHE A 34 4.101 0.950 4.286 1.00 0.00 O ATOM 494 CB PHE A 34 2.971 -1.775 3.449 1.00 0.00 C ATOM 495 CG PHE A 34 1.656 -1.090 3.284 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.122 -0.915 2.027 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.954 -0.617 4.376 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.086 -0.281 1.858 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.245 0.014 4.210 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.771 0.187 2.954 1.00 0.00 C ATOM 0 H PHE A 34 5.417 -1.608 4.383 1.00 0.00 H new ATOM 0 HA PHE A 34 4.158 -1.080 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.929 -2.755 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.159 -1.944 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.658 -1.280 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.357 -0.748 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.496 -0.151 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.783 0.379 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.719 0.689 2.827 1.00 0.00 H new ATOM 510 N MET A 35 3.471 1.257 2.156 1.00 0.00 N ATOM 511 CA MET A 35 3.197 2.683 2.343 1.00 0.00 C ATOM 512 C MET A 35 2.191 3.192 1.309 1.00 0.00 C ATOM 513 O MET A 35 2.433 3.131 0.110 1.00 0.00 O ATOM 514 CB MET A 35 4.496 3.492 2.293 1.00 0.00 C ATOM 515 CG MET A 35 4.724 4.227 0.986 1.00 0.00 C ATOM 516 SD MET A 35 5.166 5.947 1.241 1.00 0.00 S ATOM 517 CE MET A 35 6.031 5.806 2.797 1.00 0.00 C ATOM 0 H MET A 35 3.300 0.911 1.212 1.00 0.00 H new ATOM 0 HA MET A 35 2.751 2.816 3.329 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.491 4.216 3.107 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.336 2.820 2.470 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.516 3.730 0.425 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.821 4.172 0.379 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.697 6.660 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.310 5.787 3.614 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.615 4.886 2.807 1.00 0.00 H new ATOM 527 N VAL A 36 1.051 3.681 1.790 1.00 0.00 N ATOM 528 CA VAL A 36 -0.014 4.183 0.919 1.00 0.00 C ATOM 529 C VAL A 36 0.158 5.652 0.578 1.00 0.00 C ATOM 530 O VAL A 36 0.723 6.420 1.350 1.00 0.00 O ATOM 531 CB VAL A 36 -1.403 3.999 1.545 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.492 4.448 0.582 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.604 2.556 1.947 1.00 0.00 C ATOM 0 H VAL A 36 0.838 3.741 2.786 1.00 0.00 H new ATOM 0 HA VAL A 36 0.062 3.591 0.007 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.468 4.621 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.468 4.309 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.352 5.502 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.437 3.856 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.593 2.436 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.521 1.918 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.844 2.272 2.674 1.00 0.00 H new ATOM 543 N ARG A 37 -0.348 6.034 -0.588 1.00 0.00 N ATOM 544 CA ARG A 37 -0.270 7.412 -1.038 1.00 0.00 C ATOM 545 C ARG A 37 -1.553 7.817 -1.755 1.00 0.00 C ATOM 546 O ARG A 37 -2.019 7.124 -2.660 1.00 0.00 O ATOM 547 CB ARG A 37 0.947 7.598 -1.939 1.00 0.00 C ATOM 548 CG ARG A 37 0.614 7.811 -3.404 1.00 0.00 C ATOM 549 CD ARG A 37 1.439 6.884 -4.276 1.00 0.00 C ATOM 550 NE ARG A 37 1.621 7.406 -5.629 1.00 0.00 N ATOM 551 CZ ARG A 37 0.624 7.812 -6.410 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.630 7.739 -5.987 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.883 8.285 -7.622 1.00 0.00 N ATOM 0 H ARG A 37 -0.818 5.404 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.157 8.061 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.522 8.452 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.589 6.722 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.447 7.629 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.807 8.848 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.415 6.729 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.953 5.910 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 37 2.571 7.462 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.834 7.370 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.391 8.052 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.846 8.337 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.119 8.597 -8.222 1.00 0.00 H new ATOM 567 N ASP A 38 -2.128 8.933 -1.327 1.00 0.00 N ATOM 568 CA ASP A 38 -3.370 9.432 -1.905 1.00 0.00 C ATOM 569 C ASP A 38 -3.277 9.556 -3.420 1.00 0.00 C ATOM 570 O ASP A 38 -2.209 9.824 -3.971 1.00 0.00 O ATOM 571 CB ASP A 38 -3.735 10.786 -1.298 1.00 0.00 C ATOM 572 CG ASP A 38 -5.203 11.121 -1.470 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.642 11.283 -2.629 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.914 11.222 -0.449 1.00 0.00 O ATOM 0 H ASP A 38 -1.752 9.513 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.151 8.708 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.488 10.783 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.131 11.564 -1.764 1.00 0.00 H new ATOM 579 N SER A 39 -4.410 9.358 -4.085 1.00 0.00 N ATOM 580 CA SER A 39 -4.475 9.444 -5.538 1.00 0.00 C ATOM 581 C SER A 39 -5.847 9.934 -5.992 1.00 0.00 C ATOM 582 O SER A 39 -6.866 9.596 -5.390 1.00 0.00 O ATOM 583 CB SER A 39 -4.187 8.075 -6.153 1.00 0.00 C ATOM 584 OG SER A 39 -4.101 8.157 -7.565 1.00 0.00 O ATOM 0 H SER A 39 -5.299 9.136 -3.638 1.00 0.00 H new ATOM 0 HA SER A 39 -3.724 10.159 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.253 7.682 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.974 7.375 -5.874 1.00 0.00 H new ATOM 0 HG SER A 39 -4.296 7.280 -7.956 1.00 0.00 H new ATOM 590 N ARG A 40 -5.867 10.721 -7.063 1.00 0.00 N ATOM 591 CA ARG A 40 -7.118 11.243 -7.600 1.00 0.00 C ATOM 592 C ARG A 40 -7.927 10.124 -8.247 1.00 0.00 C ATOM 593 O ARG A 40 -8.992 10.357 -8.818 1.00 0.00 O ATOM 594 CB ARG A 40 -6.840 12.348 -8.622 1.00 0.00 C ATOM 595 CG ARG A 40 -6.479 13.683 -7.993 1.00 0.00 C ATOM 596 CD ARG A 40 -7.449 14.777 -8.410 1.00 0.00 C ATOM 597 NE ARG A 40 -8.404 15.095 -7.353 1.00 0.00 N ATOM 598 CZ ARG A 40 -8.050 15.414 -6.112 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.767 15.456 -5.777 1.00 0.00 N ATOM 600 NH2 ARG A 40 -8.978 15.691 -5.206 1.00 0.00 N ATOM 0 H ARG A 40 -5.033 11.010 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.697 11.663 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.026 12.031 -9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.720 12.479 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.482 13.587 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.467 13.962 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.890 15.675 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.989 14.462 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.398 15.071 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.051 15.243 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.496 15.701 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.965 15.659 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.705 15.936 -4.254 1.00 0.00 H new ATOM 614 N THR A 41 -7.401 8.908 -8.150 1.00 0.00 N ATOM 615 CA THR A 41 -8.052 7.733 -8.718 1.00 0.00 C ATOM 616 C THR A 41 -9.549 7.724 -8.412 1.00 0.00 C ATOM 617 O THR A 41 -10.101 8.714 -7.929 1.00 0.00 O ATOM 618 CB THR A 41 -7.393 6.468 -8.170 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.339 5.455 -9.158 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.103 5.902 -6.961 1.00 0.00 C ATOM 0 H THR A 41 -6.518 8.710 -7.679 1.00 0.00 H new ATOM 0 HA THR A 41 -7.935 7.765 -9.801 1.00 0.00 H new ATOM 0 HB THR A 41 -6.390 6.772 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.410 5.321 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.585 5.005 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.107 6.643 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.129 5.649 -7.227 1.00 0.00 H new ATOM 628 N PRO A 42 -10.230 6.602 -8.705 1.00 0.00 N ATOM 629 CA PRO A 42 -11.675 6.454 -8.477 1.00 0.00 C ATOM 630 C PRO A 42 -12.109 6.766 -7.044 1.00 0.00 C ATOM 631 O PRO A 42 -13.255 6.514 -6.671 1.00 0.00 O ATOM 632 CB PRO A 42 -11.934 4.980 -8.796 1.00 0.00 C ATOM 633 CG PRO A 42 -10.844 4.600 -9.734 1.00 0.00 C ATOM 634 CD PRO A 42 -9.641 5.389 -9.301 1.00 0.00 C ATOM 0 HA PRO A 42 -12.240 7.157 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.911 4.369 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.915 4.839 -9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.646 3.529 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.115 4.833 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.037 4.839 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.992 5.629 -10.143 1.00 0.00 H new ATOM 642 N GLY A 43 -11.202 7.317 -6.242 1.00 0.00 N ATOM 643 CA GLY A 43 -11.541 7.646 -4.869 1.00 0.00 C ATOM 644 C GLY A 43 -10.802 6.794 -3.859 1.00 0.00 C ATOM 645 O GLY A 43 -11.194 6.722 -2.695 1.00 0.00 O ATOM 0 H GLY A 43 -10.245 7.540 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.314 8.696 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.614 7.522 -4.725 1.00 0.00 H new ATOM 649 N THR A 44 -9.737 6.140 -4.303 1.00 0.00 N ATOM 650 CA THR A 44 -8.954 5.284 -3.427 1.00 0.00 C ATOM 651 C THR A 44 -7.600 5.896 -3.099 1.00 0.00 C ATOM 652 O THR A 44 -7.352 7.075 -3.349 1.00 0.00 O ATOM 653 CB THR A 44 -8.733 3.918 -4.069 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.364 3.557 -4.003 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.149 3.853 -5.524 1.00 0.00 C ATOM 0 H THR A 44 -9.397 6.187 -5.264 1.00 0.00 H new ATOM 0 HA THR A 44 -9.521 5.175 -2.503 1.00 0.00 H new ATOM 0 HB THR A 44 -9.361 3.231 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.142 2.975 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.962 2.852 -5.911 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.211 4.083 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.574 4.578 -6.100 1.00 0.00 H new ATOM 663 N TYR A 45 -6.727 5.065 -2.543 1.00 0.00 N ATOM 664 CA TYR A 45 -5.384 5.479 -2.176 1.00 0.00 C ATOM 665 C TYR A 45 -4.349 4.552 -2.807 1.00 0.00 C ATOM 666 O TYR A 45 -4.664 3.426 -3.202 1.00 0.00 O ATOM 667 CB TYR A 45 -5.220 5.488 -0.658 1.00 0.00 C ATOM 668 CG TYR A 45 -6.311 6.241 0.064 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.578 5.694 0.205 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.073 7.494 0.613 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.579 6.373 0.871 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.067 8.180 1.282 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.319 7.616 1.408 1.00 0.00 C ATOM 674 OH TYR A 45 -9.313 8.295 2.073 1.00 0.00 O ATOM 0 H TYR A 45 -6.932 4.088 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.225 6.490 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.200 4.460 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.257 5.932 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.785 4.720 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.094 7.939 0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.560 5.933 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.865 9.153 1.704 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.966 9.155 2.391 1.00 0.00 H new ATOM 684 N THR A 46 -3.118 5.031 -2.908 1.00 0.00 N ATOM 685 CA THR A 46 -2.036 4.248 -3.493 1.00 0.00 C ATOM 686 C THR A 46 -1.272 3.493 -2.406 1.00 0.00 C ATOM 687 O THR A 46 -1.155 3.976 -1.283 1.00 0.00 O ATOM 688 CB THR A 46 -1.094 5.168 -4.261 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.830 6.079 -5.059 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.146 4.422 -5.174 1.00 0.00 C ATOM 0 H THR A 46 -2.842 5.961 -2.592 1.00 0.00 H new ATOM 0 HA THR A 46 -2.461 3.517 -4.181 1.00 0.00 H new ATOM 0 HB THR A 46 -0.509 5.688 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.296 6.718 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.497 5.134 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.468 3.741 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.719 3.852 -5.906 1.00 0.00 H new ATOM 698 N VAL A 47 -0.748 2.309 -2.736 1.00 0.00 N ATOM 699 CA VAL A 47 0.001 1.519 -1.764 1.00 0.00 C ATOM 700 C VAL A 47 1.414 1.249 -2.246 1.00 0.00 C ATOM 701 O VAL A 47 1.628 0.546 -3.227 1.00 0.00 O ATOM 702 CB VAL A 47 -0.668 0.167 -1.451 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.314 -0.749 -0.730 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.929 0.369 -0.624 1.00 0.00 C ATOM 0 H VAL A 47 -0.829 1.883 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 47 0.020 2.119 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.956 -0.306 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.169 -1.702 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.185 -0.919 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.629 -0.282 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.385 -0.598 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.674 0.861 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.633 0.989 -1.179 1.00 0.00 H new ATOM 714 N SER A 48 2.373 1.800 -1.532 1.00 0.00 N ATOM 715 CA SER A 48 3.771 1.615 -1.864 1.00 0.00 C ATOM 716 C SER A 48 4.335 0.441 -1.072 1.00 0.00 C ATOM 717 O SER A 48 4.432 0.500 0.158 1.00 0.00 O ATOM 718 CB SER A 48 4.566 2.887 -1.564 1.00 0.00 C ATOM 719 OG SER A 48 5.844 2.578 -1.050 1.00 0.00 O ATOM 0 H SER A 48 2.209 2.384 -0.712 1.00 0.00 H new ATOM 0 HA SER A 48 3.856 1.402 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.670 3.478 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.020 3.500 -0.846 1.00 0.00 H new ATOM 0 HG SER A 48 6.515 2.681 -1.757 1.00 0.00 H new ATOM 725 N VAL A 49 4.694 -0.623 -1.782 1.00 0.00 N ATOM 726 CA VAL A 49 5.245 -1.816 -1.151 1.00 0.00 C ATOM 727 C VAL A 49 6.710 -1.994 -1.548 1.00 0.00 C ATOM 728 O VAL A 49 7.065 -1.828 -2.716 1.00 0.00 O ATOM 729 CB VAL A 49 4.444 -3.075 -1.534 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.994 -2.951 -1.073 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.516 -3.313 -3.035 1.00 0.00 C ATOM 0 H VAL A 49 4.613 -0.683 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 49 5.175 -1.684 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 49 4.887 -3.934 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.445 -3.850 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.966 -2.831 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.535 -2.083 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.945 -4.206 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.099 -2.454 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.556 -3.450 -3.332 1.00 0.00 H new ATOM 741 N PHE A 50 7.564 -2.300 -0.572 1.00 0.00 N ATOM 742 CA PHE A 50 8.994 -2.458 -0.840 1.00 0.00 C ATOM 743 C PHE A 50 9.579 -3.727 -0.232 1.00 0.00 C ATOM 744 O PHE A 50 9.328 -4.052 0.931 1.00 0.00 O ATOM 745 CB PHE A 50 9.765 -1.257 -0.306 1.00 0.00 C ATOM 746 CG PHE A 50 11.216 -1.543 -0.067 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.601 -2.489 0.868 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.193 -0.869 -0.777 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.936 -2.758 1.089 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.531 -1.131 -0.560 1.00 0.00 C ATOM 751 CZ PHE A 50 13.902 -2.078 0.374 1.00 0.00 C ATOM 0 H PHE A 50 7.295 -2.442 0.402 1.00 0.00 H new ATOM 0 HA PHE A 50 9.095 -2.532 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.676 -0.433 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.308 -0.926 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.848 -3.022 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.906 -0.129 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.225 -3.499 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.285 -0.597 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.948 -2.287 0.545 1.00 0.00 H new ATOM 761 N THR A 51 10.389 -4.423 -1.028 1.00 0.00 N ATOM 762 CA THR A 51 11.055 -5.642 -0.582 1.00 0.00 C ATOM 763 C THR A 51 12.522 -5.371 -0.285 1.00 0.00 C ATOM 764 O THR A 51 13.275 -4.967 -1.171 1.00 0.00 O ATOM 765 CB THR A 51 10.977 -6.733 -1.646 1.00 0.00 C ATOM 766 OG1 THR A 51 9.678 -7.295 -1.708 1.00 0.00 O ATOM 767 CG2 THR A 51 11.961 -7.857 -1.400 1.00 0.00 C ATOM 0 H THR A 51 10.600 -4.160 -1.991 1.00 0.00 H new ATOM 0 HA THR A 51 10.544 -5.976 0.321 1.00 0.00 H new ATOM 0 HB THR A 51 11.226 -6.244 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.655 -7.990 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.863 -8.605 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.976 -7.459 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.754 -8.317 -0.434 1.00 0.00 H new ATOM 899 N CYS A 60 12.755 -5.203 -4.295 1.00 0.00 N ATOM 900 CA CYS A 60 11.764 -4.710 -5.242 1.00 0.00 C ATOM 901 C CYS A 60 10.676 -3.891 -4.562 1.00 0.00 C ATOM 902 O CYS A 60 10.140 -4.283 -3.526 1.00 0.00 O ATOM 903 CB CYS A 60 11.116 -5.879 -5.984 1.00 0.00 C ATOM 904 SG CYS A 60 11.548 -5.973 -7.738 1.00 0.00 S ATOM 0 HA CYS A 60 12.290 -4.062 -5.943 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.409 -6.810 -5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.033 -5.798 -5.892 1.00 0.00 H new ATOM 0 HG CYS A 60 10.953 -6.995 -8.277 1.00 0.00 H new ATOM 910 N ILE A 61 10.327 -2.772 -5.183 1.00 0.00 N ATOM 911 CA ILE A 61 9.268 -1.912 -4.677 1.00 0.00 C ATOM 912 C ILE A 61 8.097 -1.945 -5.639 1.00 0.00 C ATOM 913 O ILE A 61 8.276 -2.190 -6.832 1.00 0.00 O ATOM 914 CB ILE A 61 9.712 -0.448 -4.503 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.823 -0.341 -3.458 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.517 0.411 -4.105 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.070 -1.115 -3.823 1.00 0.00 C ATOM 0 H ILE A 61 10.765 -2.438 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 61 8.992 -2.294 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 61 10.107 -0.086 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.083 0.709 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.447 -0.703 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.837 1.446 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.755 0.356 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.104 0.046 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.816 -0.994 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.824 -2.171 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.470 -0.738 -4.764 1.00 0.00 H new ATOM 929 N LYS A 62 6.903 -1.700 -5.131 1.00 0.00 N ATOM 930 CA LYS A 62 5.725 -1.713 -5.980 1.00 0.00 C ATOM 931 C LYS A 62 4.645 -0.795 -5.437 1.00 0.00 C ATOM 932 O LYS A 62 4.318 -0.834 -4.248 1.00 0.00 O ATOM 933 CB LYS A 62 5.176 -3.134 -6.118 1.00 0.00 C ATOM 934 CG LYS A 62 6.248 -4.201 -6.271 1.00 0.00 C ATOM 935 CD LYS A 62 5.982 -5.086 -7.477 1.00 0.00 C ATOM 936 CE LYS A 62 5.118 -6.285 -7.113 1.00 0.00 C ATOM 937 NZ LYS A 62 3.669 -6.014 -7.330 1.00 0.00 N ATOM 0 H LYS A 62 6.724 -1.492 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 62 6.024 -1.349 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.571 -3.365 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.513 -3.174 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.224 -3.726 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.285 -4.813 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.488 -4.503 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.929 -5.432 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.420 -7.145 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.285 -6.549 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.165 -6.913 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.279 -5.525 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.550 -5.415 -8.172 1.00 0.00 H new ATOM 951 N HIS A 63 4.087 0.027 -6.315 1.00 0.00 N ATOM 952 CA HIS A 63 3.037 0.943 -5.924 1.00 0.00 C ATOM 953 C HIS A 63 1.671 0.332 -6.227 1.00 0.00 C ATOM 954 O HIS A 63 1.246 0.278 -7.382 1.00 0.00 O ATOM 955 CB HIS A 63 3.196 2.272 -6.661 1.00 0.00 C ATOM 956 CG HIS A 63 4.568 2.860 -6.544 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.085 3.376 -5.377 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.540 3.005 -7.481 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.327 3.811 -5.634 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.651 3.607 -6.896 1.00 0.00 N ATOM 0 H HIS A 63 4.347 0.075 -7.300 1.00 0.00 H new ATOM 0 HA HIS A 63 3.110 1.127 -4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.962 2.124 -7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.470 2.984 -6.270 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.608 3.420 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.464 2.702 -8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.977 4.269 -4.903 1.00 0.00 H new ATOM 968 N TYR A 64 0.998 -0.137 -5.186 1.00 0.00 N ATOM 969 CA TYR A 64 -0.311 -0.761 -5.329 1.00 0.00 C ATOM 970 C TYR A 64 -1.428 0.202 -4.992 1.00 0.00 C ATOM 971 O TYR A 64 -1.567 0.632 -3.850 1.00 0.00 O ATOM 972 CB TYR A 64 -0.406 -1.980 -4.421 1.00 0.00 C ATOM 973 CG TYR A 64 0.743 -2.922 -4.605 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.521 -2.856 -5.743 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.044 -3.869 -3.648 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.579 -3.718 -5.928 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.101 -4.741 -3.819 1.00 0.00 C ATOM 978 CZ TYR A 64 2.867 -4.661 -4.964 1.00 0.00 C ATOM 979 OH TYR A 64 3.921 -5.525 -5.143 1.00 0.00 O ATOM 0 H TYR A 64 1.340 -0.097 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.422 -1.061 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.441 -1.653 -3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.339 -2.507 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.297 -2.118 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.444 -3.929 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.180 -3.656 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.326 -5.479 -3.063 1.00 0.00 H new ATOM 0 HH TYR A 64 3.618 -6.445 -4.998 1.00 0.00 H new ATOM 989 N HIS A 65 -2.238 0.525 -5.983 1.00 0.00 N ATOM 990 CA HIS A 65 -3.348 1.421 -5.755 1.00 0.00 C ATOM 991 C HIS A 65 -4.543 0.655 -5.237 1.00 0.00 C ATOM 992 O HIS A 65 -4.799 -0.473 -5.658 1.00 0.00 O ATOM 993 CB HIS A 65 -3.727 2.179 -7.018 1.00 0.00 C ATOM 994 CG HIS A 65 -4.158 3.564 -6.720 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.140 4.096 -5.461 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.616 4.536 -7.536 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.575 5.350 -5.541 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.881 5.672 -6.783 1.00 0.00 N ATOM 0 H HIS A 65 -2.148 0.184 -6.940 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.033 2.149 -5.008 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.875 2.202 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.530 1.651 -7.532 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.845 3.616 -4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.754 4.445 -8.603 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.666 6.019 -4.698 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.281 1.268 -4.327 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.453 0.617 -3.776 1.00 0.00 C ATOM 1008 C ILE A 66 -7.630 0.808 -4.714 1.00 0.00 C ATOM 1009 O ILE A 66 -8.205 1.886 -4.792 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.810 1.170 -2.380 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.549 1.586 -1.626 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.576 0.133 -1.573 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.309 0.838 -2.061 1.00 0.00 C ATOM 0 H ILE A 66 -5.092 2.201 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.227 -0.444 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.442 2.047 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.387 2.655 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.704 1.426 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.818 0.542 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.497 -0.127 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.963 -0.760 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.453 1.186 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.451 -0.230 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.128 1.018 -3.121 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.990 -0.244 -5.428 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.102 -0.168 -6.354 1.00 0.00 C ATOM 1027 C LYS A 67 -10.408 -0.098 -5.583 1.00 0.00 C ATOM 1028 O LYS A 67 -10.559 -0.768 -4.560 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.098 -1.369 -7.299 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.931 -1.157 -8.553 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.073 -1.209 -9.807 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.158 0.000 -9.905 1.00 0.00 C ATOM 1033 NZ LYS A 67 -6.773 -0.314 -9.457 1.00 0.00 N ATOM 0 H LYS A 67 -7.531 -1.154 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.999 0.735 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.071 -1.590 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.474 -2.242 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.706 -1.921 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.437 -0.193 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.475 -2.120 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.715 -1.253 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.135 0.355 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.561 0.810 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.103 0.331 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.707 -0.198 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.540 -1.296 -9.710 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.338 0.720 -6.076 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.639 0.901 -5.435 1.00 0.00 C ATOM 1049 C GLU A 68 -13.750 0.383 -6.341 1.00 0.00 C ATOM 1050 O GLU A 68 -13.742 0.627 -7.548 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.874 2.390 -5.142 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.963 2.962 -4.068 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.659 3.998 -3.208 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.899 4.112 -3.301 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.963 4.696 -2.439 1.00 0.00 O ATOM 0 H GLU A 68 -11.212 1.272 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.648 0.340 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.734 2.957 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.911 2.530 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.601 2.152 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.090 3.413 -4.539 1.00 0.00 H new ATOM 1062 N THR A 69 -14.704 -0.337 -5.759 1.00 0.00 N ATOM 1063 CA THR A 69 -15.813 -0.886 -6.528 1.00 0.00 C ATOM 1064 C THR A 69 -17.150 -0.462 -5.933 1.00 0.00 C ATOM 1065 O THR A 69 -17.233 0.531 -5.211 1.00 0.00 O ATOM 1066 CB THR A 69 -15.724 -2.412 -6.575 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.321 -2.984 -5.426 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.302 -2.924 -6.658 1.00 0.00 C ATOM 0 H THR A 69 -14.731 -0.553 -4.762 1.00 0.00 H new ATOM 0 HA THR A 69 -15.747 -0.494 -7.543 1.00 0.00 H new ATOM 0 HB THR A 69 -16.253 -2.706 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.622 -3.313 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.309 -4.014 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.829 -2.539 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.743 -2.589 -5.784 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.701 -4.392 0.072 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.749 -4.791 -0.963 1.00 0.00 C ATOM 1129 C LYS A 74 -15.658 -3.764 -2.082 1.00 0.00 C ATOM 1130 O LYS A 74 -15.861 -4.081 -3.254 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.113 -6.168 -1.527 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.046 -6.966 -0.631 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.500 -6.793 -1.041 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.872 -7.726 -2.182 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.325 -7.663 -2.500 1.00 0.00 N ATOM 0 HA LYS A 74 -14.767 -4.849 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.582 -6.039 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.199 -6.740 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.778 -8.022 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.919 -6.647 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.146 -6.988 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.674 -5.760 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.295 -7.463 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.602 -8.748 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.538 -8.314 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.876 -7.938 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.578 -6.693 -2.777 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.326 -2.536 -1.710 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.178 -1.460 -2.675 1.00 0.00 C ATOM 1151 C ARG A 75 -13.727 -1.327 -3.109 1.00 0.00 C ATOM 1152 O ARG A 75 -13.413 -1.377 -4.298 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.643 -0.136 -2.077 1.00 0.00 C ATOM 1154 CG ARG A 75 -17.108 0.161 -2.332 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.687 1.070 -1.261 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.646 0.451 0.058 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.553 0.672 1.004 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -19.565 1.498 0.776 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.450 0.068 2.181 1.00 0.00 N ATOM 0 H ARG A 75 -15.154 -2.261 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.794 -1.702 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.465 -0.150 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.039 0.672 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.220 0.631 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.670 -0.773 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.130 2.007 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.718 1.318 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.878 -0.187 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -19.649 1.965 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.260 1.666 1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.673 -0.568 2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.148 0.240 2.905 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.848 -1.126 -2.133 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.433 -0.946 -2.408 1.00 0.00 C ATOM 1175 C TYR A 76 -10.674 -2.271 -2.393 1.00 0.00 C ATOM 1176 O TYR A 76 -11.047 -3.204 -1.687 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.838 0.025 -1.395 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.770 1.164 -1.087 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.918 1.351 -1.840 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.511 2.044 -0.050 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.787 2.381 -1.571 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.377 3.084 0.232 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.516 3.248 -0.533 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.382 4.282 -0.259 1.00 0.00 O ATOM 0 H TYR A 76 -13.094 -1.084 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.332 -0.534 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.604 -0.510 -0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.899 0.420 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.134 0.674 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.620 1.916 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.677 2.511 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.165 3.763 1.044 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.045 4.798 0.503 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.603 -2.332 -3.180 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.768 -3.540 -3.271 1.00 0.00 C ATOM 1196 C TYR A 77 -7.495 -3.260 -4.068 1.00 0.00 C ATOM 1197 O TYR A 77 -7.325 -2.172 -4.612 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.541 -4.700 -3.912 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.884 -4.468 -5.364 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.861 -3.544 -5.716 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.231 -5.160 -6.386 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.180 -3.309 -7.037 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.552 -4.923 -7.713 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.522 -3.997 -8.031 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.838 -3.764 -9.349 1.00 0.00 O ATOM 0 H TYR A 77 -9.287 -1.560 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.493 -3.827 -2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.948 -5.611 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.461 -4.866 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.380 -3.000 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.470 -5.886 -6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.943 -2.588 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.043 -5.463 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.281 -4.330 -9.924 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.599 -4.244 -4.137 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.347 -4.081 -4.874 1.00 0.00 C ATOM 1217 C VAL A 78 -4.961 -5.364 -5.583 1.00 0.00 C ATOM 1218 O VAL A 78 -3.839 -5.850 -5.438 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.184 -3.684 -3.951 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.320 -2.240 -3.496 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.111 -4.633 -2.766 1.00 0.00 C ATOM 0 H VAL A 78 -6.715 -5.156 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.523 -3.286 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.252 -3.763 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.485 -1.984 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.317 -1.583 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.256 -2.117 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.284 -4.343 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.044 -4.587 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.952 -5.650 -3.124 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.891 -5.918 -6.340 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.633 -7.154 -7.053 1.00 0.00 C ATOM 1233 C ALA A 79 -6.933 -7.797 -7.514 1.00 0.00 C ATOM 1234 O ALA A 79 -7.111 -9.006 -7.371 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.863 -8.114 -6.151 1.00 0.00 C ATOM 0 H ALA A 79 -6.826 -5.534 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.036 -6.928 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.670 -9.042 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.916 -7.659 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.452 -8.327 -5.259 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.859 -6.994 -8.047 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.138 -7.545 -8.480 1.00 0.00 C ATOM 1243 C GLU A 80 -9.470 -8.684 -7.546 1.00 0.00 C ATOM 1244 O GLU A 80 -10.064 -9.693 -7.928 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.053 -8.035 -9.925 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.181 -7.154 -10.802 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.907 -6.660 -12.039 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.069 -7.453 -12.989 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.315 -5.480 -12.056 1.00 0.00 O ATOM 0 H GLU A 80 -7.749 -5.989 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.917 -6.783 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.659 -9.051 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.057 -8.078 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.836 -6.298 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.295 -7.712 -11.104 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.010 -8.510 -6.317 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.157 -9.496 -5.281 1.00 0.00 C ATOM 1258 C LYS A 81 -9.907 -8.949 -4.071 1.00 0.00 C ATOM 1259 O LYS A 81 -10.930 -8.282 -4.219 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.762 -9.949 -4.905 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.990 -8.988 -4.059 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.968 -9.762 -3.266 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.581 -11.046 -3.970 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.384 -11.674 -3.349 1.00 0.00 N ATOM 0 H LYS A 81 -8.520 -7.667 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.754 -10.333 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.836 -10.898 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.199 -10.138 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.499 -8.243 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.661 -8.450 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.081 -9.147 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.369 -9.993 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.417 -11.745 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.379 -10.838 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.938 -12.320 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.705 -10.934 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.671 -12.207 -2.504 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.403 -9.239 -2.872 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.046 -8.772 -1.653 1.00 0.00 C ATOM 1280 C TYR A 82 -10.345 -7.290 -1.746 1.00 0.00 C ATOM 1281 O TYR A 82 -9.470 -6.485 -2.060 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.198 -9.049 -0.412 1.00 0.00 C ATOM 1283 CG TYR A 82 -7.723 -9.025 -0.649 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.169 -8.136 -1.544 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -6.885 -9.875 0.049 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -5.814 -8.088 -1.743 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -5.525 -9.842 -0.142 1.00 0.00 C ATOM 1288 CZ TYR A 82 -4.989 -8.943 -1.040 1.00 0.00 C ATOM 1289 OH TYR A 82 -3.632 -8.901 -1.243 1.00 0.00 O ATOM 0 H TYR A 82 -8.558 -9.791 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.978 -9.327 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.442 -8.310 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.473 -10.025 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.812 -7.467 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.306 -10.575 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.394 -7.385 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.881 -10.514 0.406 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.448 -8.748 -2.193 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.589 -6.935 -1.479 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.004 -5.549 -1.540 1.00 0.00 C ATOM 1301 C VAL A 83 -12.562 -5.089 -0.203 1.00 0.00 C ATOM 1302 O VAL A 83 -13.131 -5.879 0.551 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.046 -5.340 -2.646 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.112 -3.875 -3.045 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.711 -6.222 -3.841 1.00 0.00 C ATOM 0 H VAL A 83 -12.328 -7.588 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.124 -4.949 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.029 -5.625 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.856 -3.745 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.390 -3.274 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.137 -3.554 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.454 -6.071 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.724 -5.960 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.716 -7.268 -3.534 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.379 -3.810 0.094 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.847 -3.250 1.352 1.00 0.00 C ATOM 1317 C PHE A 84 -13.427 -1.856 1.151 1.00 0.00 C ATOM 1318 O PHE A 84 -13.655 -1.424 0.022 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.696 -3.220 2.355 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.914 -4.501 2.367 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.319 -4.970 1.207 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.786 -5.242 3.530 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.612 -6.157 1.204 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.076 -6.430 3.535 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.491 -6.889 2.370 1.00 0.00 C ATOM 0 H PHE A 84 -11.910 -3.142 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.645 -3.881 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.029 -2.392 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.092 -3.030 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.409 -4.401 0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.245 -4.889 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.155 -6.512 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.979 -6.998 4.449 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.940 -7.818 2.371 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.676 -1.160 2.253 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.241 0.179 2.192 1.00 0.00 C ATOM 1337 C ASP A 85 -13.236 1.223 2.661 1.00 0.00 C ATOM 1338 O ASP A 85 -13.611 2.340 3.017 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.508 0.258 3.046 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.407 1.410 2.643 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.342 1.829 1.468 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.174 1.893 3.501 1.00 0.00 O ATOM 0 H ASP A 85 -13.496 -1.501 3.197 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.493 0.389 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.060 -0.678 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.230 0.368 4.094 1.00 0.00 H new ATOM 1347 N SER A 86 -11.959 0.859 2.659 1.00 0.00 N ATOM 1348 CA SER A 86 -10.916 1.781 3.088 1.00 0.00 C ATOM 1349 C SER A 86 -9.535 1.131 3.054 1.00 0.00 C ATOM 1350 O SER A 86 -9.372 -0.063 3.352 1.00 0.00 O ATOM 1351 CB SER A 86 -11.213 2.294 4.497 1.00 0.00 C ATOM 1352 OG SER A 86 -10.505 1.549 5.470 1.00 0.00 O ATOM 0 H SER A 86 -11.624 -0.059 2.368 1.00 0.00 H new ATOM 0 HA SER A 86 -10.909 2.617 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.939 3.346 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.283 2.229 4.693 1.00 0.00 H new ATOM 0 HG SER A 86 -10.861 1.752 6.360 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.537 1.930 2.700 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.173 1.444 2.640 1.00 0.00 C ATOM 1360 C ILE A 87 -6.783 0.798 3.962 1.00 0.00 C ATOM 1361 O ILE A 87 -6.230 -0.293 3.980 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.165 2.566 2.333 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.308 3.075 0.896 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.750 2.066 2.569 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.558 2.607 0.186 1.00 0.00 C ATOM 0 H ILE A 87 -8.650 2.913 2.452 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.139 0.715 1.831 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.375 3.399 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.299 4.165 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.438 2.755 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.041 2.864 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.641 1.759 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.551 1.215 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.577 3.015 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.563 1.518 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.437 2.950 0.732 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.068 1.464 5.096 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.729 0.931 6.412 1.00 0.00 C ATOM 1379 C PRO A 88 -7.251 -0.485 6.594 1.00 0.00 C ATOM 1380 O PRO A 88 -6.498 -1.378 6.977 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.388 1.893 7.403 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.262 2.794 6.590 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.724 2.773 5.184 1.00 0.00 C ATOM 0 HA PRO A 88 -5.651 0.864 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.973 1.348 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.637 2.466 7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.297 2.452 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.252 3.807 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.520 2.875 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.022 3.588 5.009 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.520 -0.715 6.266 1.00 0.00 N ATOM 1392 CA LEU A 89 -9.053 -2.064 6.355 1.00 0.00 C ATOM 1393 C LEU A 89 -8.330 -2.877 5.305 1.00 0.00 C ATOM 1394 O LEU A 89 -7.772 -3.948 5.582 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.568 -2.123 6.107 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.319 -0.796 6.195 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.765 -0.358 4.808 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.517 -0.929 7.121 1.00 0.00 C ATOM 0 H LEU A 89 -9.179 -0.005 5.946 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.898 -2.451 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.737 -2.547 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.006 -2.813 6.828 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.650 -0.038 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.300 0.589 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.892 -0.234 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.423 -1.115 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.043 0.024 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.191 -1.694 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.177 -1.212 8.117 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.309 -2.311 4.096 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.621 -2.920 2.976 1.00 0.00 C ATOM 1412 C LEU A 90 -6.189 -3.263 3.387 1.00 0.00 C ATOM 1413 O LEU A 90 -5.682 -4.342 3.089 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.628 -1.949 1.789 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.342 -2.570 0.418 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.478 -2.276 -0.548 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.022 -2.052 -0.134 1.00 0.00 C ATOM 0 H LEU A 90 -8.766 -1.426 3.876 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.127 -3.838 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.601 -1.460 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.888 -1.171 1.976 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.265 -3.651 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.257 -2.725 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.406 -2.694 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.587 -1.198 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.833 -2.503 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.072 -0.968 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.214 -2.314 0.549 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.557 -2.331 4.097 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.194 -2.515 4.582 1.00 0.00 C ATOM 1431 C ILE A 91 -4.180 -3.383 5.831 1.00 0.00 C ATOM 1432 O ILE A 91 -3.424 -4.350 5.922 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.520 -1.174 4.927 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.640 -0.193 3.766 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.059 -1.403 5.275 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.120 -0.749 2.467 1.00 0.00 C ATOM 0 H ILE A 91 -5.972 -1.434 4.350 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.642 -2.998 3.775 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.028 -0.743 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.686 0.087 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.093 0.718 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.589 -0.450 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.990 -2.071 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.548 -1.853 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.234 -0.003 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.066 -1.004 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.684 -1.644 2.203 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.022 -3.023 6.794 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.106 -3.763 8.040 1.00 0.00 C ATOM 1450 C GLN A 92 -5.289 -5.238 7.749 1.00 0.00 C ATOM 1451 O GLN A 92 -4.608 -6.083 8.331 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.252 -3.236 8.903 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.935 -1.909 9.575 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.472 -1.783 9.961 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.139 -1.652 11.138 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.588 -1.822 8.968 1.00 0.00 N ATOM 0 H GLN A 92 -5.653 -2.224 6.732 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.178 -3.627 8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.141 -3.119 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.492 -3.975 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.201 -1.093 8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.552 -1.801 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.907 -1.932 8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.591 -1.742 9.169 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.179 -5.551 6.814 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.389 -6.936 6.438 1.00 0.00 C ATOM 1467 C TYR A 93 -5.172 -7.429 5.673 1.00 0.00 C ATOM 1468 O TYR A 93 -4.755 -8.577 5.823 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.629 -7.089 5.571 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.331 -6.972 4.098 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.814 -8.045 3.375 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.568 -5.785 3.425 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.548 -7.929 2.031 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -7.306 -5.667 2.077 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.797 -6.739 1.384 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.548 -6.621 0.039 1.00 0.00 O ATOM 0 H TYR A 93 -6.755 -4.875 6.313 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.534 -7.525 7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.087 -8.058 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.358 -6.329 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.619 -8.981 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.965 -4.938 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.145 -8.769 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.500 -4.735 1.567 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.455 -7.513 -0.356 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.589 -6.540 4.864 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.409 -6.885 4.101 1.00 0.00 C ATOM 1488 C HIS A 94 -2.277 -7.232 5.053 1.00 0.00 C ATOM 1489 O HIS A 94 -1.680 -8.306 4.973 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.980 -5.714 3.228 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.683 -5.623 1.916 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.855 -6.694 1.074 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.243 -4.562 1.293 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.489 -6.295 -0.013 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.737 -5.005 0.096 1.00 0.00 N ATOM 0 H HIS A 94 -4.920 -5.585 4.728 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.641 -7.739 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.146 -4.788 3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.908 -5.788 3.046 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.542 -7.647 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.292 -3.551 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.759 -6.921 -0.851 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.997 -6.303 5.962 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.946 -6.488 6.947 1.00 0.00 C ATOM 1506 C GLN A 95 -1.110 -7.833 7.646 1.00 0.00 C ATOM 1507 O GLN A 95 -0.139 -8.433 8.106 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.986 -5.362 7.982 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.919 -3.971 7.376 1.00 0.00 C ATOM 1510 CD GLN A 95 0.503 -3.521 7.119 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.448 -4.042 7.713 1.00 0.00 O ATOM 1512 NE2 GLN A 95 0.665 -2.549 6.227 1.00 0.00 N ATOM 0 H GLN A 95 -2.488 -5.412 6.034 1.00 0.00 H new ATOM 0 HA GLN A 95 0.016 -6.467 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.902 -5.450 8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.153 -5.487 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.476 -3.959 6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.406 -3.262 8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.147 -2.146 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.601 -2.206 6.011 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.357 -8.292 7.725 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.678 -9.557 8.369 1.00 0.00 C ATOM 1523 C TYR A 96 -3.699 -10.336 7.554 1.00 0.00 C ATOM 1524 O TYR A 96 -4.905 -10.202 7.761 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.242 -9.309 9.761 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.343 -8.476 10.646 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -1.347 -9.068 11.412 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.491 -7.096 10.716 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -0.525 -8.309 12.223 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -1.673 -6.330 11.524 1.00 0.00 C ATOM 1531 CZ TYR A 96 -0.691 -6.941 12.274 1.00 0.00 C ATOM 1532 OH TYR A 96 0.127 -6.182 13.080 1.00 0.00 O ATOM 0 H TYR A 96 -3.166 -7.799 7.346 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.759 -10.139 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.207 -8.811 9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.424 -10.269 10.245 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.213 -10.139 11.373 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.259 -6.614 10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.244 -8.785 12.814 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.802 -5.259 11.568 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.121 -5.237 13.000 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.215 -11.144 6.628 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.091 -11.936 5.783 1.00 0.00 C ATOM 1544 C ASN A 97 -3.299 -12.625 4.679 1.00 0.00 C ATOM 1545 O ASN A 97 -2.193 -13.117 4.904 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.151 -11.034 5.163 1.00 0.00 C ATOM 1547 CG ASN A 97 -4.572 -10.160 4.071 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.176 -9.979 3.013 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -3.390 -9.612 4.327 1.00 0.00 N ATOM 0 H ASN A 97 -2.220 -11.269 6.442 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.568 -12.700 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.954 -11.645 4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.592 -10.406 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.945 -9.012 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.927 -9.791 5.218 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.869 -12.635 3.481 1.00 0.00 N ATOM 1557 CA GLY A 98 -3.206 -13.242 2.344 1.00 0.00 C ATOM 1558 C GLY A 98 -2.779 -12.198 1.332 1.00 0.00 C ATOM 1559 O GLY A 98 -2.439 -12.522 0.194 1.00 0.00 O ATOM 0 H GLY A 98 -4.783 -12.231 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.333 -13.799 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.877 -13.958 1.869 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.803 -10.938 1.758 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.422 -9.845 0.888 1.00 0.00 C ATOM 1565 C GLY A 99 -1.550 -10.295 -0.266 1.00 0.00 C ATOM 1566 O GLY A 99 -0.338 -10.447 -0.117 1.00 0.00 O ATOM 0 H GLY A 99 -3.082 -10.656 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.320 -9.368 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.889 -9.092 1.469 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.171 -10.511 -1.421 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.432 -10.946 -2.590 1.00 0.00 C ATOM 1572 C GLY A 100 -0.450 -9.901 -3.083 1.00 0.00 C ATOM 1573 O GLY A 100 0.280 -10.136 -4.046 1.00 0.00 O ATOM 0 H GLY A 100 -3.173 -10.392 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.892 -11.863 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.133 -11.186 -3.389 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.424 -8.746 -2.423 1.00 0.00 N ATOM 1578 CA LEU A 101 0.487 -7.677 -2.812 1.00 0.00 C ATOM 1579 C LEU A 101 1.821 -7.813 -2.075 1.00 0.00 C ATOM 1580 O LEU A 101 1.855 -7.990 -0.859 1.00 0.00 O ATOM 1581 CB LEU A 101 -0.143 -6.295 -2.569 1.00 0.00 C ATOM 1582 CG LEU A 101 -1.035 -6.154 -1.339 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.313 -6.962 -1.513 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.290 -6.555 -0.074 1.00 0.00 C ATOM 0 H LEU A 101 -1.018 -8.529 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 101 0.679 -7.767 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.661 -5.564 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.731 -6.030 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.312 -5.105 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.938 -6.850 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.855 -6.601 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.063 -8.014 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.949 -6.445 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.031 -7.594 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.583 -5.914 0.053 1.00 0.00 H new ATOM 1596 N VAL A 102 2.920 -7.757 -2.832 1.00 0.00 N ATOM 1597 CA VAL A 102 4.263 -7.901 -2.268 1.00 0.00 C ATOM 1598 C VAL A 102 4.293 -8.966 -1.179 1.00 0.00 C ATOM 1599 O VAL A 102 4.776 -10.078 -1.395 1.00 0.00 O ATOM 1600 CB VAL A 102 4.809 -6.583 -1.681 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.628 -5.830 -2.718 1.00 0.00 C ATOM 1602 CG2 VAL A 102 3.679 -5.720 -1.138 1.00 0.00 C ATOM 0 H VAL A 102 2.905 -7.612 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 102 4.901 -8.198 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 102 5.468 -6.828 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.003 -4.904 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.468 -6.447 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.001 -5.598 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.090 -4.797 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.983 -5.483 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.153 -6.262 -0.352 1.00 0.00 H new ATOM 1612 N THR A 103 3.777 -8.616 -0.008 1.00 0.00 N ATOM 1613 CA THR A 103 3.744 -9.540 1.119 1.00 0.00 C ATOM 1614 C THR A 103 2.613 -9.179 2.072 1.00 0.00 C ATOM 1615 O THR A 103 2.838 -8.933 3.257 1.00 0.00 O ATOM 1616 CB THR A 103 5.081 -9.521 1.861 1.00 0.00 C ATOM 1617 OG1 THR A 103 4.985 -8.755 3.048 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.215 -8.950 1.037 1.00 0.00 C ATOM 0 H THR A 103 3.375 -7.699 0.187 1.00 0.00 H new ATOM 0 HA THR A 103 3.569 -10.545 0.734 1.00 0.00 H new ATOM 0 HB THR A 103 5.303 -10.565 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.277 -9.122 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.134 -8.966 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.348 -9.550 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.980 -7.923 0.758 1.00 0.00 H new ATOM 1626 N ARG A 104 1.395 -9.143 1.542 1.00 0.00 N ATOM 1627 CA ARG A 104 0.225 -8.806 2.341 1.00 0.00 C ATOM 1628 C ARG A 104 0.572 -7.763 3.395 1.00 0.00 C ATOM 1629 O ARG A 104 0.420 -8.001 4.593 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.346 -10.059 3.008 1.00 0.00 C ATOM 1631 CG ARG A 104 0.597 -10.699 4.013 1.00 0.00 C ATOM 1632 CD ARG A 104 0.071 -10.564 5.433 1.00 0.00 C ATOM 1633 NE ARG A 104 1.098 -10.863 6.427 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.968 -9.966 6.879 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.935 -8.720 6.427 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.873 -10.315 7.783 1.00 0.00 N ATOM 0 H ARG A 104 1.194 -9.343 0.562 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.530 -8.387 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.278 -9.800 3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.592 -10.790 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.728 -11.754 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.579 -10.231 3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.299 -9.551 5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.775 -11.237 5.572 1.00 0.00 H new ATOM 0 HE ARG A 104 1.151 -11.813 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.241 -8.448 5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.604 -8.033 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.902 -11.273 8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.540 -9.626 8.129 1.00 0.00 H new ATOM 1650 N LEU A 105 1.035 -6.603 2.941 1.00 0.00 N ATOM 1651 CA LEU A 105 1.398 -5.522 3.845 1.00 0.00 C ATOM 1652 C LEU A 105 2.284 -6.036 4.967 1.00 0.00 C ATOM 1653 O LEU A 105 1.822 -6.296 6.077 1.00 0.00 O ATOM 1654 CB LEU A 105 0.141 -4.865 4.405 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.710 -4.169 3.359 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.131 -2.816 3.102 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.756 -4.964 2.064 1.00 0.00 C ATOM 0 H LEU A 105 1.167 -6.389 1.952 1.00 0.00 H new ATOM 0 HA LEU A 105 1.962 -4.774 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.462 -5.624 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.431 -4.139 5.165 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.731 -4.085 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.730 -2.300 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.131 -2.239 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.892 -2.921 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.374 -4.438 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.254 -5.076 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.181 -5.949 2.257 1.00 0.00 H new ATOM 1669 N ARG A 106 3.564 -6.188 4.660 1.00 0.00 N ATOM 1670 CA ARG A 106 4.531 -6.681 5.632 1.00 0.00 C ATOM 1671 C ARG A 106 4.772 -5.659 6.734 1.00 0.00 C ATOM 1672 O ARG A 106 4.834 -6.005 7.914 1.00 0.00 O ATOM 1673 CB ARG A 106 5.852 -7.015 4.939 1.00 0.00 C ATOM 1674 CG ARG A 106 6.928 -5.959 5.136 1.00 0.00 C ATOM 1675 CD ARG A 106 7.861 -6.321 6.279 1.00 0.00 C ATOM 1676 NE ARG A 106 7.162 -7.008 7.361 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.738 -7.353 8.508 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.017 -7.075 8.720 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.035 -7.976 9.443 1.00 0.00 N ATOM 0 H ARG A 106 3.959 -5.977 3.743 1.00 0.00 H new ATOM 0 HA ARG A 106 4.121 -7.584 6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.219 -7.970 5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.671 -7.142 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.503 -5.848 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.461 -4.995 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.663 -6.957 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.327 -5.415 6.667 1.00 0.00 H new ATOM 0 HE ARG A 106 6.177 -7.236 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.560 -6.596 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.457 -7.341 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.051 -8.191 9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.478 -8.240 10.323 1.00 0.00 H new ATOM 1693 N TYR A 107 4.916 -4.399 6.342 1.00 0.00 N ATOM 1694 CA TYR A 107 5.161 -3.331 7.300 1.00 0.00 C ATOM 1695 C TYR A 107 4.982 -1.962 6.662 1.00 0.00 C ATOM 1696 O TYR A 107 5.791 -1.542 5.833 1.00 0.00 O ATOM 1697 CB TYR A 107 6.569 -3.436 7.869 1.00 0.00 C ATOM 1698 CG TYR A 107 6.855 -2.375 8.899 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.426 -2.532 10.208 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.535 -1.212 8.563 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.668 -1.563 11.157 1.00 0.00 C ATOM 1702 CE2 TYR A 107 7.783 -0.236 9.510 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.348 -0.417 10.805 1.00 0.00 C ATOM 1704 OH TYR A 107 7.590 0.552 11.751 1.00 0.00 O ATOM 0 H TYR A 107 4.867 -4.093 5.370 1.00 0.00 H new ATOM 0 HA TYR A 107 4.432 -3.442 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.703 -4.420 8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.292 -3.355 7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.893 -3.429 10.488 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.875 -1.068 7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.326 -1.701 12.172 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.315 0.663 9.236 1.00 0.00 H new ATOM 0 HH TYR A 107 8.080 1.295 11.341 1.00 0.00 H new ATOM 1714 N PRO A 108 3.922 -1.243 7.045 1.00 0.00 N ATOM 1715 CA PRO A 108 3.650 0.087 6.515 1.00 0.00 C ATOM 1716 C PRO A 108 4.831 1.034 6.714 1.00 0.00 C ATOM 1717 O PRO A 108 5.123 1.450 7.835 1.00 0.00 O ATOM 1718 CB PRO A 108 2.441 0.567 7.328 1.00 0.00 C ATOM 1719 CG PRO A 108 2.347 -0.360 8.491 1.00 0.00 C ATOM 1720 CD PRO A 108 2.910 -1.664 8.020 1.00 0.00 C ATOM 0 HA PRO A 108 3.469 0.065 5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.574 1.597 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.530 0.539 6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.909 0.023 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.313 -0.475 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.349 -2.235 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.146 -2.294 7.565 1.00 0.00 H new ATOM 1728 N VAL A 109 5.501 1.375 5.621 1.00 0.00 N ATOM 1729 CA VAL A 109 6.639 2.273 5.662 1.00 0.00 C ATOM 1730 C VAL A 109 6.175 3.719 5.607 1.00 0.00 C ATOM 1731 O VAL A 109 5.573 4.147 4.623 1.00 0.00 O ATOM 1732 CB VAL A 109 7.587 2.007 4.483 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.321 3.275 4.081 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.559 0.893 4.830 1.00 0.00 C ATOM 0 H VAL A 109 5.269 1.037 4.687 1.00 0.00 H new ATOM 0 HA VAL A 109 7.170 2.094 6.597 1.00 0.00 H new ATOM 0 HB VAL A 109 6.994 1.686 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.986 3.061 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.598 4.035 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.906 3.640 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.225 0.715 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.147 1.181 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.004 -0.018 5.053 1.00 0.00 H new ATOM 1744 N CYS A 110 6.450 4.475 6.661 1.00 0.00 N ATOM 1745 CA CYS A 110 6.045 5.869 6.709 1.00 0.00 C ATOM 1746 C CYS A 110 7.257 6.789 6.604 1.00 0.00 C ATOM 1747 O CYS A 110 7.837 7.198 7.609 1.00 0.00 O ATOM 1748 CB CYS A 110 5.259 6.150 7.993 1.00 0.00 C ATOM 1749 SG CYS A 110 6.280 6.610 9.413 1.00 0.00 S ATOM 0 H CYS A 110 6.949 4.147 7.488 1.00 0.00 H new ATOM 0 HA CYS A 110 5.396 6.069 5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.546 6.952 7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.679 5.263 8.250 1.00 0.00 H new ATOM 0 HG CYS A 110 7.461 6.966 9.001 1.00 0.00 H new ATOM 1755 N GLY A 111 7.633 7.109 5.370 1.00 0.00 N ATOM 1756 CA GLY A 111 8.774 7.977 5.144 1.00 0.00 C ATOM 1757 C GLY A 111 9.693 8.054 6.347 1.00 0.00 C ATOM 1758 O GLY A 111 10.322 7.064 6.719 1.00 0.00 O ATOM 0 H GLY A 111 7.168 6.783 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.337 7.615 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.421 8.978 4.896 1.00 0.00 H new