USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 6 GLN : amide:sc= -1.64! C(o=-4!,f=-4.2!) USER MOD Set 1.2: A 110 MET CE :methyl 157:sc= -2.34 (180deg=-3.44!) USER MOD Set 2.1: A 69 GLN : amide:sc= 0.39 K(o=0.39,f=-2.6!) USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 82 CYS SG : rot -80:sc= -0.777 USER MOD Set 3.2: A 86 ASN : amide:sc= -0.346 K(o=-1.1,f=-1.8) USER MOD Set 4.1: A 10 CYS SG : rot 164:sc= -10! USER MOD Set 4.2: A 60 MET CE :methyl 154:sc= -4.7! (180deg=-5.21!) USER MOD Set 5.1: A 59 LYS NZ :NH3+ 177:sc= 1.7 (180deg=1.35) USER MOD Set 5.2: A 65 TYR OH : rot 56:sc= 0.127 USER MOD Set 6.1: A 31 LYS NZ :NH3+ -158:sc= 0.117 (180deg=-0.15) USER MOD Set 6.2: A 54 SER OG : rot -110:sc= 0.137 USER MOD Set 7.1: A 22 HIS : no HD1:sc= -1.26 X(o=-1.2,f=-1.7) USER MOD Set 7.2: A 25 TYR OH : rot -26:sc= 0.0379 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0815) USER MOD Single : A 9 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 27:sc= 1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.196 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0643) USER MOD Single : A 49 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.17) USER MOD Single : A 51 MET CE :methyl 164:sc= -0.0588 (180deg=-0.384) USER MOD Single : A 55 THR OG1 : rot 151:sc= 0.435 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.0098) USER MOD Single : A 78 MET CE :methyl -129:sc= -0.513 (180deg=-3.81!) USER MOD Single : A 80 SER OG : rot 77:sc= 1.22 USER MOD Single : A 81 ASN : amide:sc= -3.78! C(o=-3.8!,f=-2.7!) USER MOD Single : A 83 TYR OH : rot 180:sc=-0.00127 USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0415) USER MOD Single : A 85 TYR OH : rot 15:sc= -2.11 USER MOD Single : A 90 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-4.2!) USER MOD Single : A 95 MET CE :methyl -108:sc= -1.59 (180deg=-3.75!) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.259) USER MOD Single : A 100 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.9) USER MOD Single : A 109 LYS NZ :NH3+ -154:sc= 0.23 (180deg=-0.654) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : B 282 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.27) USER MOD Single : B 288 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : B 291 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 292 SER OG : rot 180:sc=-0.00583 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.599 12.555 -3.277 1.00 0.00 N ATOM 2 CA GLY A 1 20.102 11.353 -2.567 1.00 0.00 C ATOM 3 C GLY A 1 20.577 10.074 -3.219 1.00 0.00 C ATOM 4 O GLY A 1 20.086 9.691 -4.282 1.00 0.00 O ATOM 0 H1 GLY A 1 20.251 13.410 -2.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.639 12.555 -3.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.257 12.545 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.439 11.379 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.012 11.368 -2.548 1.00 0.00 H new ATOM 10 N LYS A 2 21.539 9.417 -2.597 1.00 0.00 N ATOM 11 CA LYS A 2 22.081 8.173 -3.125 1.00 0.00 C ATOM 12 C LYS A 2 21.381 6.989 -2.467 1.00 0.00 C ATOM 13 O LYS A 2 21.219 6.974 -1.247 1.00 0.00 O ATOM 14 CB LYS A 2 23.586 8.105 -2.861 1.00 0.00 C ATOM 15 CG LYS A 2 24.352 9.261 -3.477 1.00 0.00 C ATOM 16 CD LYS A 2 24.304 9.213 -4.995 1.00 0.00 C ATOM 17 CE LYS A 2 25.391 8.312 -5.562 1.00 0.00 C ATOM 18 NZ LYS A 2 25.375 8.286 -7.049 1.00 0.00 N ATOM 0 H LYS A 2 21.964 9.724 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 2 21.911 8.136 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.760 8.094 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.976 7.167 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.932 10.204 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.389 9.231 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.327 8.853 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.420 10.220 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.365 8.658 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.258 7.300 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.131 7.661 -7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.455 7.932 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.528 9.248 -7.415 1.00 0.00 H new ATOM 32 N LEU A 3 20.953 6.007 -3.258 1.00 0.00 N ATOM 33 CA LEU A 3 20.292 4.837 -2.689 1.00 0.00 C ATOM 34 C LEU A 3 21.294 3.992 -1.914 1.00 0.00 C ATOM 35 O LEU A 3 22.054 3.215 -2.497 1.00 0.00 O ATOM 36 CB LEU A 3 19.621 3.951 -3.748 1.00 0.00 C ATOM 37 CG LEU A 3 18.466 4.570 -4.543 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.944 3.572 -5.570 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.336 4.991 -3.617 1.00 0.00 C ATOM 0 H LEU A 3 21.049 5.997 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 3 19.513 5.219 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.386 3.631 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.249 3.054 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 3 18.842 5.455 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.124 4.021 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.747 3.303 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.588 2.677 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.528 5.427 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.963 4.120 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.705 5.728 -2.904 1.00 0.00 H new ATOM 51 N SER A 4 21.305 4.166 -0.605 1.00 0.00 N ATOM 52 CA SER A 4 22.133 3.355 0.266 1.00 0.00 C ATOM 53 C SER A 4 21.524 1.963 0.388 1.00 0.00 C ATOM 54 O SER A 4 20.485 1.697 -0.211 1.00 0.00 O ATOM 55 CB SER A 4 22.248 4.017 1.638 1.00 0.00 C ATOM 56 OG SER A 4 22.753 5.337 1.523 1.00 0.00 O ATOM 0 H SER A 4 20.745 4.867 -0.120 1.00 0.00 H new ATOM 0 HA SER A 4 23.134 3.266 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.270 4.038 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.905 3.427 2.277 1.00 0.00 H new ATOM 0 HG SER A 4 22.816 5.742 2.413 1.00 0.00 H new ATOM 62 N GLU A 5 22.155 1.081 1.154 1.00 0.00 N ATOM 63 CA GLU A 5 21.656 -0.287 1.316 1.00 0.00 C ATOM 64 C GLU A 5 20.184 -0.295 1.719 1.00 0.00 C ATOM 65 O GLU A 5 19.385 -1.055 1.177 1.00 0.00 O ATOM 66 CB GLU A 5 22.483 -1.051 2.352 1.00 0.00 C ATOM 67 CG GLU A 5 23.810 -1.578 1.822 1.00 0.00 C ATOM 68 CD GLU A 5 24.710 -0.484 1.296 1.00 0.00 C ATOM 69 OE1 GLU A 5 24.783 -0.314 0.061 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.334 0.224 2.112 1.00 0.00 O ATOM 0 H GLU A 5 23.010 1.283 1.672 1.00 0.00 H new ATOM 0 HA GLU A 5 21.753 -0.785 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.678 -0.396 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.894 -1.889 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.326 -2.114 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.618 -2.297 1.026 1.00 0.00 H new ATOM 77 N GLN A 6 19.832 0.577 2.652 1.00 0.00 N ATOM 78 CA GLN A 6 18.459 0.690 3.131 1.00 0.00 C ATOM 79 C GLN A 6 17.515 1.077 1.989 1.00 0.00 C ATOM 80 O GLN A 6 16.483 0.438 1.790 1.00 0.00 O ATOM 81 CB GLN A 6 18.361 1.725 4.264 1.00 0.00 C ATOM 82 CG GLN A 6 19.016 1.316 5.584 1.00 0.00 C ATOM 83 CD GLN A 6 20.380 0.677 5.421 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.393 1.367 5.334 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.420 -0.646 5.399 1.00 0.00 N ATOM 0 H GLN A 6 20.484 1.223 3.097 1.00 0.00 H new ATOM 0 HA GLN A 6 18.159 -0.284 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.817 2.655 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.308 1.936 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.112 2.197 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.359 0.619 6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.556 -1.184 5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.314 -1.128 5.307 1.00 0.00 H new ATOM 94 N LEU A 7 17.886 2.102 1.223 1.00 0.00 N ATOM 95 CA LEU A 7 17.030 2.593 0.141 1.00 0.00 C ATOM 96 C LEU A 7 17.138 1.714 -1.110 1.00 0.00 C ATOM 97 O LEU A 7 16.343 1.824 -2.043 1.00 0.00 O ATOM 98 CB LEU A 7 17.358 4.050 -0.207 1.00 0.00 C ATOM 99 CG LEU A 7 17.016 5.075 0.873 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.532 6.446 0.477 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.514 5.130 1.124 1.00 0.00 C ATOM 0 H LEU A 7 18.766 2.606 1.329 1.00 0.00 H new ATOM 0 HA LEU A 7 16.002 2.544 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.423 4.122 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.824 4.317 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 7 17.502 4.766 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.282 7.167 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.614 6.406 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.071 6.751 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.301 5.868 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.001 5.410 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.164 4.151 1.451 1.00 0.00 H new ATOM 113 N LYS A 8 18.122 0.844 -1.142 1.00 0.00 N ATOM 114 CA LYS A 8 18.214 -0.121 -2.216 1.00 0.00 C ATOM 115 C LYS A 8 17.386 -1.343 -1.861 1.00 0.00 C ATOM 116 O LYS A 8 16.801 -1.995 -2.731 1.00 0.00 O ATOM 117 CB LYS A 8 19.667 -0.504 -2.469 1.00 0.00 C ATOM 118 CG LYS A 8 19.859 -1.478 -3.623 1.00 0.00 C ATOM 119 CD LYS A 8 19.280 -0.944 -4.929 1.00 0.00 C ATOM 120 CE LYS A 8 19.957 0.345 -5.378 1.00 0.00 C ATOM 121 NZ LYS A 8 21.399 0.143 -5.679 1.00 0.00 N ATOM 0 H LYS A 8 18.864 0.784 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 8 17.824 0.320 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.240 0.401 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.079 -0.946 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.922 -1.679 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.383 -2.428 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.389 -1.699 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.212 -0.766 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.452 0.729 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.852 1.100 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.784 1.001 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.914 -0.051 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.509 -0.662 -6.328 1.00 0.00 H new ATOM 135 N HIS A 9 17.331 -1.639 -0.572 1.00 0.00 N ATOM 136 CA HIS A 9 16.507 -2.723 -0.083 1.00 0.00 C ATOM 137 C HIS A 9 15.038 -2.334 -0.160 1.00 0.00 C ATOM 138 O HIS A 9 14.182 -3.171 -0.438 1.00 0.00 O ATOM 139 CB HIS A 9 16.881 -3.092 1.355 1.00 0.00 C ATOM 140 CG HIS A 9 16.663 -4.539 1.665 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.689 -5.402 1.970 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.530 -5.279 1.710 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.199 -6.606 2.185 1.00 0.00 C ATOM 144 NE2 HIS A 9 15.889 -6.561 2.034 1.00 0.00 N ATOM 0 H HIS A 9 17.849 -1.141 0.152 1.00 0.00 H new ATOM 0 HA HIS A 9 16.680 -3.596 -0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.928 -2.844 1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.292 -2.486 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.527 -4.924 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.774 -7.483 2.442 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.250 -7.349 2.141 1.00 0.00 H new ATOM 153 N CYS A 10 14.743 -1.056 0.080 1.00 0.00 N ATOM 154 CA CYS A 10 13.375 -0.572 -0.026 1.00 0.00 C ATOM 155 C CYS A 10 12.927 -0.622 -1.480 1.00 0.00 C ATOM 156 O CYS A 10 11.778 -0.959 -1.772 1.00 0.00 O ATOM 157 CB CYS A 10 13.242 0.855 0.518 1.00 0.00 C ATOM 158 SG CYS A 10 14.054 2.102 -0.483 1.00 0.00 S ATOM 0 H CYS A 10 15.427 -0.348 0.346 1.00 0.00 H new ATOM 0 HA CYS A 10 12.736 -1.218 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.184 1.103 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.656 0.888 1.526 1.00 0.00 H new ATOM 0 HG CYS A 10 13.612 3.279 -0.152 1.00 0.00 H new ATOM 164 N ASN A 11 13.848 -0.292 -2.388 1.00 0.00 N ATOM 165 CA ASN A 11 13.590 -0.405 -3.816 1.00 0.00 C ATOM 166 C ASN A 11 13.223 -1.847 -4.169 1.00 0.00 C ATOM 167 O ASN A 11 12.293 -2.093 -4.939 1.00 0.00 O ATOM 168 CB ASN A 11 14.825 0.023 -4.624 1.00 0.00 C ATOM 169 CG ASN A 11 14.580 -0.009 -6.122 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.765 -1.037 -6.777 1.00 0.00 O ATOM 171 ND2 ASN A 11 14.171 1.122 -6.678 1.00 0.00 N ATOM 0 H ASN A 11 14.778 0.055 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 11 12.759 0.253 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.117 1.031 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.660 -0.635 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.998 1.163 -7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.029 1.952 -6.102 1.00 0.00 H new ATOM 178 N GLY A 12 13.949 -2.793 -3.573 1.00 0.00 N ATOM 179 CA GLY A 12 13.730 -4.201 -3.856 1.00 0.00 C ATOM 180 C GLY A 12 12.427 -4.719 -3.278 1.00 0.00 C ATOM 181 O GLY A 12 11.720 -5.496 -3.923 1.00 0.00 O ATOM 0 H GLY A 12 14.688 -2.606 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.730 -4.355 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.559 -4.782 -3.451 1.00 0.00 H new ATOM 185 N ILE A 13 12.116 -4.299 -2.059 1.00 0.00 N ATOM 186 CA ILE A 13 10.865 -4.675 -1.411 1.00 0.00 C ATOM 187 C ILE A 13 9.672 -4.155 -2.211 1.00 0.00 C ATOM 188 O ILE A 13 8.748 -4.906 -2.527 1.00 0.00 O ATOM 189 CB ILE A 13 10.804 -4.130 0.032 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.863 -4.810 0.911 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.417 -4.310 0.619 1.00 0.00 C ATOM 192 CD1 ILE A 13 11.988 -4.222 2.301 1.00 0.00 C ATOM 0 H ILE A 13 12.715 -3.695 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 13 10.822 -5.763 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 13 11.020 -3.062 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.621 -5.869 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.830 -4.743 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.399 -3.919 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.691 -3.771 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.163 -5.370 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.757 -4.759 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.262 -3.170 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.035 -4.313 2.822 1.00 0.00 H new ATOM 204 N LEU A 14 9.719 -2.870 -2.543 1.00 0.00 N ATOM 205 CA LEU A 14 8.689 -2.231 -3.350 1.00 0.00 C ATOM 206 C LEU A 14 8.481 -2.983 -4.655 1.00 0.00 C ATOM 207 O LEU A 14 7.358 -3.320 -5.023 1.00 0.00 O ATOM 208 CB LEU A 14 9.112 -0.802 -3.668 1.00 0.00 C ATOM 209 CG LEU A 14 7.997 0.222 -3.684 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.617 1.597 -3.744 1.00 0.00 C ATOM 211 CD2 LEU A 14 7.063 0.012 -4.869 1.00 0.00 C ATOM 0 H LEU A 14 10.472 -2.243 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 14 7.756 -2.236 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.856 -0.491 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.601 -0.795 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 14 7.398 0.114 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.830 2.351 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.251 1.749 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.219 1.686 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.275 0.765 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.627 0.102 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.618 -0.981 -4.810 1.00 0.00 H new ATOM 223 N LYS A 15 9.586 -3.245 -5.338 1.00 0.00 N ATOM 224 CA LYS A 15 9.580 -3.924 -6.608 1.00 0.00 C ATOM 225 C LYS A 15 8.893 -5.278 -6.497 1.00 0.00 C ATOM 226 O LYS A 15 8.152 -5.690 -7.388 1.00 0.00 O ATOM 227 CB LYS A 15 11.026 -4.078 -7.068 1.00 0.00 C ATOM 228 CG LYS A 15 11.262 -5.292 -7.927 1.00 0.00 C ATOM 229 CD LYS A 15 10.799 -5.085 -9.355 1.00 0.00 C ATOM 230 CE LYS A 15 11.410 -6.131 -10.261 1.00 0.00 C ATOM 231 NZ LYS A 15 10.777 -6.150 -11.605 1.00 0.00 N ATOM 0 H LYS A 15 10.518 -2.986 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 15 9.019 -3.343 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.318 -3.188 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.673 -4.132 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.324 -5.536 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.738 -6.146 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.712 -5.142 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.082 -4.089 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.478 -5.938 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.308 -7.113 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.228 -6.882 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.763 -6.360 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.897 -5.222 -12.058 1.00 0.00 H new ATOM 245 N GLU A 16 9.131 -5.948 -5.387 1.00 0.00 N ATOM 246 CA GLU A 16 8.575 -7.279 -5.169 1.00 0.00 C ATOM 247 C GLU A 16 7.066 -7.201 -4.980 1.00 0.00 C ATOM 248 O GLU A 16 6.316 -7.976 -5.573 1.00 0.00 O ATOM 249 CB GLU A 16 9.214 -7.963 -3.950 1.00 0.00 C ATOM 250 CG GLU A 16 8.629 -9.342 -3.643 1.00 0.00 C ATOM 251 CD GLU A 16 8.757 -9.734 -2.194 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.210 -8.906 -1.383 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.403 -10.886 -1.860 1.00 0.00 O ATOM 0 H GLU A 16 9.704 -5.598 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 16 8.798 -7.876 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.286 -8.062 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.088 -7.322 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.576 -9.353 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.131 -10.088 -4.260 1.00 0.00 H new ATOM 260 N LEU A 17 6.627 -6.254 -4.163 1.00 0.00 N ATOM 261 CA LEU A 17 5.198 -6.036 -3.933 1.00 0.00 C ATOM 262 C LEU A 17 4.518 -5.618 -5.241 1.00 0.00 C ATOM 263 O LEU A 17 3.315 -5.804 -5.420 1.00 0.00 O ATOM 264 CB LEU A 17 5.000 -4.966 -2.846 1.00 0.00 C ATOM 265 CG LEU A 17 5.624 -5.284 -1.484 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.813 -4.006 -0.692 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.751 -6.250 -0.696 1.00 0.00 C ATOM 0 H LEU A 17 7.237 -5.621 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 17 4.741 -6.964 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.417 -4.026 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.930 -4.808 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 17 6.592 -5.755 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.257 -4.240 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.471 -3.332 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.846 -3.525 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.217 -6.459 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.769 -5.805 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.640 -7.179 -1.255 1.00 0.00 H new ATOM 279 N LEU A 18 5.313 -5.078 -6.158 1.00 0.00 N ATOM 280 CA LEU A 18 4.827 -4.670 -7.473 1.00 0.00 C ATOM 281 C LEU A 18 4.949 -5.795 -8.499 1.00 0.00 C ATOM 282 O LEU A 18 4.413 -5.703 -9.601 1.00 0.00 O ATOM 283 CB LEU A 18 5.621 -3.473 -7.973 1.00 0.00 C ATOM 284 CG LEU A 18 5.359 -2.166 -7.242 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.250 -1.079 -7.805 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.899 -1.765 -7.347 1.00 0.00 C ATOM 0 H LEU A 18 6.309 -4.911 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 18 3.774 -4.412 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.683 -3.706 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.401 -3.329 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 18 5.589 -2.306 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.060 -0.144 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.295 -1.362 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.038 -0.948 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.740 -0.827 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.631 -1.637 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.276 -2.542 -6.905 1.00 0.00 H new ATOM 298 N SER A 19 5.691 -6.830 -8.149 1.00 0.00 N ATOM 299 CA SER A 19 5.907 -7.957 -9.048 1.00 0.00 C ATOM 300 C SER A 19 4.629 -8.767 -9.237 1.00 0.00 C ATOM 301 O SER A 19 3.815 -8.902 -8.317 1.00 0.00 O ATOM 302 CB SER A 19 7.017 -8.857 -8.507 1.00 0.00 C ATOM 303 OG SER A 19 8.241 -8.148 -8.395 1.00 0.00 O ATOM 0 H SER A 19 6.157 -6.917 -7.246 1.00 0.00 H new ATOM 0 HA SER A 19 6.205 -7.559 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.729 -9.248 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.149 -9.714 -9.167 1.00 0.00 H new ATOM 0 HG SER A 19 8.056 -7.195 -8.262 1.00 0.00 H new ATOM 309 N LYS A 20 4.479 -9.320 -10.441 1.00 0.00 N ATOM 310 CA LYS A 20 3.287 -10.074 -10.825 1.00 0.00 C ATOM 311 C LYS A 20 3.075 -11.300 -9.942 1.00 0.00 C ATOM 312 O LYS A 20 1.981 -11.862 -9.906 1.00 0.00 O ATOM 313 CB LYS A 20 3.367 -10.472 -12.299 1.00 0.00 C ATOM 314 CG LYS A 20 3.163 -9.285 -13.228 1.00 0.00 C ATOM 315 CD LYS A 20 1.701 -8.858 -13.272 1.00 0.00 C ATOM 316 CE LYS A 20 1.512 -7.511 -13.960 1.00 0.00 C ATOM 317 NZ LYS A 20 1.950 -7.532 -15.380 1.00 0.00 N ATOM 0 H LYS A 20 5.182 -9.257 -11.178 1.00 0.00 H new ATOM 0 HA LYS A 20 2.424 -9.425 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.338 -10.925 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.613 -11.230 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.778 -8.449 -12.893 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.498 -9.545 -14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.119 -9.616 -13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.310 -8.802 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.461 -7.226 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.074 -6.749 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.801 -6.594 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.959 -7.778 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.396 -8.240 -15.904 1.00 0.00 H new ATOM 331 N LYS A 21 4.122 -11.705 -9.236 1.00 0.00 N ATOM 332 CA LYS A 21 4.017 -12.754 -8.230 1.00 0.00 C ATOM 333 C LYS A 21 2.989 -12.380 -7.161 1.00 0.00 C ATOM 334 O LYS A 21 2.233 -13.225 -6.688 1.00 0.00 O ATOM 335 CB LYS A 21 5.383 -12.994 -7.577 1.00 0.00 C ATOM 336 CG LYS A 21 5.332 -13.893 -6.350 1.00 0.00 C ATOM 337 CD LYS A 21 6.694 -14.052 -5.710 1.00 0.00 C ATOM 338 CE LYS A 21 6.676 -15.186 -4.709 1.00 0.00 C ATOM 339 NZ LYS A 21 7.867 -15.172 -3.821 1.00 0.00 N ATOM 0 H LYS A 21 5.060 -11.320 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 21 3.687 -13.669 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.053 -13.438 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.813 -12.033 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.636 -13.475 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.947 -14.873 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.443 -14.247 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.980 -13.125 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.773 -15.119 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.633 -16.137 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.811 -15.967 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.729 -15.263 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.896 -14.277 -3.293 1.00 0.00 H new ATOM 353 N HIS A 22 2.952 -11.104 -6.797 1.00 0.00 N ATOM 354 CA HIS A 22 2.069 -10.645 -5.729 1.00 0.00 C ATOM 355 C HIS A 22 0.886 -9.883 -6.301 1.00 0.00 C ATOM 356 O HIS A 22 -0.104 -9.675 -5.612 1.00 0.00 O ATOM 357 CB HIS A 22 2.831 -9.753 -4.731 1.00 0.00 C ATOM 358 CG HIS A 22 3.986 -10.444 -4.065 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.865 -11.174 -2.899 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.293 -10.510 -4.411 1.00 0.00 C ATOM 361 CE1 HIS A 22 5.045 -11.658 -2.557 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.933 -11.271 -3.457 1.00 0.00 N ATOM 0 H HIS A 22 3.520 -10.371 -7.222 1.00 0.00 H new ATOM 0 HA HIS A 22 1.701 -11.525 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.199 -8.870 -5.254 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.137 -9.404 -3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.750 -10.051 -5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.250 -12.267 -1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.927 -11.498 -3.447 1.00 0.00 H new ATOM 371 N ALA A 23 0.991 -9.499 -7.572 1.00 0.00 N ATOM 372 CA ALA A 23 -0.013 -8.667 -8.242 1.00 0.00 C ATOM 373 C ALA A 23 -1.433 -9.188 -8.064 1.00 0.00 C ATOM 374 O ALA A 23 -2.373 -8.401 -7.963 1.00 0.00 O ATOM 375 CB ALA A 23 0.323 -8.558 -9.713 1.00 0.00 C ATOM 0 H ALA A 23 1.776 -9.756 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 23 0.017 -7.683 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.423 -7.940 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.307 -8.104 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.328 -9.552 -10.160 1.00 0.00 H new ATOM 381 N ALA A 24 -1.574 -10.507 -8.007 1.00 0.00 N ATOM 382 CA ALA A 24 -2.872 -11.151 -7.815 1.00 0.00 C ATOM 383 C ALA A 24 -3.592 -10.615 -6.574 1.00 0.00 C ATOM 384 O ALA A 24 -4.821 -10.619 -6.505 1.00 0.00 O ATOM 385 CB ALA A 24 -2.675 -12.654 -7.705 1.00 0.00 C ATOM 0 H ALA A 24 -0.795 -11.160 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.500 -10.924 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.641 -13.138 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.214 -13.028 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.029 -12.875 -6.855 1.00 0.00 H new ATOM 391 N TYR A 25 -2.820 -10.151 -5.600 1.00 0.00 N ATOM 392 CA TYR A 25 -3.373 -9.603 -4.370 1.00 0.00 C ATOM 393 C TYR A 25 -2.636 -8.323 -3.959 1.00 0.00 C ATOM 394 O TYR A 25 -2.705 -7.896 -2.809 1.00 0.00 O ATOM 395 CB TYR A 25 -3.329 -10.660 -3.253 1.00 0.00 C ATOM 396 CG TYR A 25 -2.036 -11.441 -3.171 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.888 -10.888 -2.623 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.975 -12.749 -3.634 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.284 -11.614 -2.545 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.807 -13.480 -3.560 1.00 0.00 C ATOM 401 CZ TYR A 25 0.319 -12.906 -3.017 1.00 0.00 C ATOM 402 OH TYR A 25 1.486 -13.626 -2.943 1.00 0.00 O ATOM 0 H TYR A 25 -1.801 -10.144 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.415 -9.335 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.500 -10.165 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.151 -11.360 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.911 -9.874 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.858 -13.202 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.170 -11.170 -2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.777 -14.496 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 25 2.250 -13.012 -2.941 1.00 0.00 H new ATOM 412 N ALA A 26 -1.939 -7.716 -4.918 1.00 0.00 N ATOM 413 CA ALA A 26 -1.208 -6.472 -4.671 1.00 0.00 C ATOM 414 C ALA A 26 -1.780 -5.317 -5.497 1.00 0.00 C ATOM 415 O ALA A 26 -1.482 -4.144 -5.241 1.00 0.00 O ATOM 416 CB ALA A 26 0.276 -6.646 -4.985 1.00 0.00 C ATOM 0 H ALA A 26 -1.864 -8.065 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.322 -6.230 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.800 -5.710 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.692 -7.430 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.396 -6.923 -6.032 1.00 0.00 H new ATOM 422 N TRP A 27 -2.617 -5.644 -6.483 1.00 0.00 N ATOM 423 CA TRP A 27 -3.174 -4.626 -7.373 1.00 0.00 C ATOM 424 C TRP A 27 -3.917 -3.494 -6.629 1.00 0.00 C ATOM 425 O TRP A 27 -3.837 -2.348 -7.072 1.00 0.00 O ATOM 426 CB TRP A 27 -4.076 -5.243 -8.466 1.00 0.00 C ATOM 427 CG TRP A 27 -5.251 -6.034 -7.965 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.286 -7.374 -7.714 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.571 -5.539 -7.679 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.533 -7.742 -7.279 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.341 -6.637 -7.250 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.174 -4.277 -7.735 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.679 -6.512 -6.886 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.502 -4.157 -7.373 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.241 -5.268 -6.952 1.00 0.00 C ATOM 0 H TRP A 27 -2.921 -6.597 -6.684 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.311 -4.168 -7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.446 -4.440 -9.103 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.465 -5.892 -9.094 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.452 -8.048 -7.840 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.814 -8.687 -7.019 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.611 -3.413 -8.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.253 -7.368 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.978 -3.189 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.277 -5.140 -6.674 1.00 0.00 H new ATOM 446 N PRO A 28 -4.644 -3.756 -5.501 1.00 0.00 N ATOM 447 CA PRO A 28 -5.323 -2.686 -4.753 1.00 0.00 C ATOM 448 C PRO A 28 -4.385 -1.560 -4.325 1.00 0.00 C ATOM 449 O PRO A 28 -4.835 -0.457 -4.016 1.00 0.00 O ATOM 450 CB PRO A 28 -5.880 -3.366 -3.493 1.00 0.00 C ATOM 451 CG PRO A 28 -5.375 -4.772 -3.503 1.00 0.00 C ATOM 452 CD PRO A 28 -4.906 -5.079 -4.902 1.00 0.00 C ATOM 0 HA PRO A 28 -6.083 -2.225 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.552 -2.844 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.970 -3.347 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.558 -4.890 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.162 -5.464 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.007 -5.696 -4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.663 -5.626 -5.464 1.00 0.00 H new ATOM 460 N PHE A 29 -3.087 -1.838 -4.304 1.00 0.00 N ATOM 461 CA PHE A 29 -2.123 -0.886 -3.754 1.00 0.00 C ATOM 462 C PHE A 29 -1.184 -0.336 -4.820 1.00 0.00 C ATOM 463 O PHE A 29 -0.376 0.553 -4.539 1.00 0.00 O ATOM 464 CB PHE A 29 -1.296 -1.534 -2.648 1.00 0.00 C ATOM 465 CG PHE A 29 -2.040 -2.582 -1.872 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.669 -3.914 -1.959 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.115 -2.241 -1.065 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.354 -4.883 -1.260 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.802 -3.210 -0.362 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.419 -4.532 -0.462 1.00 0.00 C ATOM 0 H PHE A 29 -2.679 -2.704 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.702 -0.057 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.406 -1.984 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.955 -0.760 -1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.833 -4.196 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.418 -1.207 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.056 -5.918 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.637 -2.934 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.956 -5.292 0.087 1.00 0.00 H new ATOM 480 N TYR A 30 -1.254 -0.888 -6.029 1.00 0.00 N ATOM 481 CA TYR A 30 -0.457 -0.371 -7.140 1.00 0.00 C ATOM 482 C TYR A 30 -0.743 1.109 -7.375 1.00 0.00 C ATOM 483 O TYR A 30 0.168 1.935 -7.332 1.00 0.00 O ATOM 484 CB TYR A 30 -0.726 -1.167 -8.426 1.00 0.00 C ATOM 485 CG TYR A 30 -0.037 -2.512 -8.460 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.498 -3.057 -7.308 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.084 -3.232 -9.643 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.133 -4.276 -7.321 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.719 -4.459 -9.664 1.00 0.00 C ATOM 490 CZ TYR A 30 1.242 -4.974 -8.498 1.00 0.00 C ATOM 491 OH TYR A 30 1.874 -6.192 -8.505 1.00 0.00 O ATOM 0 H TYR A 30 -1.847 -1.684 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 30 0.594 -0.485 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.800 -1.316 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.398 -0.578 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.415 -2.514 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.324 -2.827 -10.557 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.544 -4.683 -6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.805 -5.011 -10.588 1.00 0.00 H new ATOM 0 HH TYR A 30 2.540 -6.211 -9.223 1.00 0.00 H new ATOM 501 N LYS A 31 -2.009 1.438 -7.600 1.00 0.00 N ATOM 502 CA LYS A 31 -2.405 2.801 -7.927 1.00 0.00 C ATOM 503 C LYS A 31 -3.682 3.190 -7.193 1.00 0.00 C ATOM 504 O LYS A 31 -4.446 2.317 -6.775 1.00 0.00 O ATOM 505 CB LYS A 31 -2.587 2.923 -9.440 1.00 0.00 C ATOM 506 CG LYS A 31 -1.270 2.934 -10.197 1.00 0.00 C ATOM 507 CD LYS A 31 -1.473 3.099 -11.691 1.00 0.00 C ATOM 508 CE LYS A 31 -0.155 3.006 -12.442 1.00 0.00 C ATOM 509 NZ LYS A 31 0.819 4.045 -12.007 1.00 0.00 N ATOM 0 H LYS A 31 -2.783 0.775 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.622 3.487 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.197 2.092 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.135 3.839 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.645 3.746 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.734 2.005 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.156 2.331 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.941 4.063 -11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.279 2.018 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.341 3.110 -13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.524 4.195 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.316 4.936 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.298 3.730 -11.139 1.00 0.00 H new ATOM 523 N PRO A 32 -3.923 4.509 -7.027 1.00 0.00 N ATOM 524 CA PRO A 32 -5.082 5.037 -6.294 1.00 0.00 C ATOM 525 C PRO A 32 -6.398 4.426 -6.756 1.00 0.00 C ATOM 526 O PRO A 32 -6.633 4.257 -7.958 1.00 0.00 O ATOM 527 CB PRO A 32 -5.062 6.545 -6.605 1.00 0.00 C ATOM 528 CG PRO A 32 -4.069 6.714 -7.704 1.00 0.00 C ATOM 529 CD PRO A 32 -3.080 5.603 -7.527 1.00 0.00 C ATOM 0 HA PRO A 32 -5.016 4.805 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.048 6.895 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.776 7.123 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.551 6.658 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.581 7.687 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.589 5.342 -8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.294 5.867 -6.819 1.00 0.00 H new ATOM 537 N VAL A 33 -7.250 4.096 -5.789 1.00 0.00 N ATOM 538 CA VAL A 33 -8.549 3.508 -6.076 1.00 0.00 C ATOM 539 C VAL A 33 -9.367 4.462 -6.936 1.00 0.00 C ATOM 540 O VAL A 33 -9.225 5.685 -6.836 1.00 0.00 O ATOM 541 CB VAL A 33 -9.330 3.156 -4.774 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.379 2.727 -3.672 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.223 4.298 -4.299 1.00 0.00 C ATOM 0 H VAL A 33 -7.060 4.228 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.381 2.577 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.985 2.320 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.948 2.487 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.821 1.848 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.684 3.538 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.743 3.999 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.612 5.177 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.953 4.535 -5.073 1.00 0.00 H new ATOM 553 N ASP A 34 -10.207 3.906 -7.789 1.00 0.00 N ATOM 554 CA ASP A 34 -11.026 4.717 -8.678 1.00 0.00 C ATOM 555 C ASP A 34 -12.278 5.150 -7.945 1.00 0.00 C ATOM 556 O ASP A 34 -13.385 4.807 -8.340 1.00 0.00 O ATOM 557 CB ASP A 34 -11.398 3.944 -9.949 1.00 0.00 C ATOM 558 CG ASP A 34 -10.184 3.504 -10.741 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.627 4.333 -11.488 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.782 2.328 -10.628 1.00 0.00 O ATOM 0 H ASP A 34 -10.342 2.900 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.453 5.594 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.987 3.068 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.030 4.570 -10.578 1.00 0.00 H new ATOM 565 N ALA A 35 -12.075 5.911 -6.873 1.00 0.00 N ATOM 566 CA ALA A 35 -13.133 6.254 -5.930 1.00 0.00 C ATOM 567 C ALA A 35 -14.385 6.779 -6.624 1.00 0.00 C ATOM 568 O ALA A 35 -15.495 6.367 -6.302 1.00 0.00 O ATOM 569 CB ALA A 35 -12.615 7.261 -4.911 1.00 0.00 C ATOM 0 H ALA A 35 -11.167 6.309 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.424 5.338 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.411 7.512 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.776 6.829 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.287 8.164 -5.426 1.00 0.00 H new ATOM 575 N SER A 36 -14.201 7.664 -7.591 1.00 0.00 N ATOM 576 CA SER A 36 -15.321 8.237 -8.326 1.00 0.00 C ATOM 577 C SER A 36 -16.089 7.164 -9.107 1.00 0.00 C ATOM 578 O SER A 36 -17.318 7.179 -9.153 1.00 0.00 O ATOM 579 CB SER A 36 -14.810 9.325 -9.265 1.00 0.00 C ATOM 580 OG SER A 36 -14.098 10.317 -8.539 1.00 0.00 O ATOM 0 H SER A 36 -13.285 8.003 -7.887 1.00 0.00 H new ATOM 0 HA SER A 36 -16.016 8.675 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.161 8.885 -10.022 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.648 9.783 -9.791 1.00 0.00 H new ATOM 0 HG SER A 36 -13.776 11.006 -9.157 1.00 0.00 H new ATOM 586 N ALA A 37 -15.368 6.224 -9.701 1.00 0.00 N ATOM 587 CA ALA A 37 -15.994 5.129 -10.436 1.00 0.00 C ATOM 588 C ALA A 37 -16.479 4.040 -9.482 1.00 0.00 C ATOM 589 O ALA A 37 -17.272 3.175 -9.850 1.00 0.00 O ATOM 590 CB ALA A 37 -15.014 4.551 -11.438 1.00 0.00 C ATOM 0 H ALA A 37 -14.348 6.196 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.859 5.522 -10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.489 3.735 -11.982 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.711 5.328 -12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.136 4.175 -10.913 1.00 0.00 H new ATOM 596 N LEU A 38 -15.984 4.091 -8.256 1.00 0.00 N ATOM 597 CA LEU A 38 -16.355 3.136 -7.222 1.00 0.00 C ATOM 598 C LEU A 38 -17.569 3.631 -6.439 1.00 0.00 C ATOM 599 O LEU A 38 -18.074 2.942 -5.554 1.00 0.00 O ATOM 600 CB LEU A 38 -15.160 2.910 -6.287 1.00 0.00 C ATOM 601 CG LEU A 38 -13.995 2.120 -6.896 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.702 2.379 -6.134 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.306 0.636 -6.902 1.00 0.00 C ATOM 0 H LEU A 38 -15.313 4.795 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.626 2.190 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.788 3.880 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.509 2.385 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.862 2.458 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.892 1.807 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.462 3.442 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.825 2.074 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.469 0.091 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.469 0.294 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.204 0.455 -7.493 1.00 0.00 H new ATOM 615 N GLY A 39 -18.035 4.831 -6.776 1.00 0.00 N ATOM 616 CA GLY A 39 -19.184 5.409 -6.096 1.00 0.00 C ATOM 617 C GLY A 39 -18.807 6.042 -4.774 1.00 0.00 C ATOM 618 O GLY A 39 -19.668 6.484 -4.011 1.00 0.00 O ATOM 0 H GLY A 39 -17.636 5.416 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.644 6.160 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.931 4.634 -5.926 1.00 0.00 H new ATOM 622 N LEU A 40 -17.514 6.086 -4.508 1.00 0.00 N ATOM 623 CA LEU A 40 -16.992 6.606 -3.261 1.00 0.00 C ATOM 624 C LEU A 40 -16.741 8.106 -3.381 1.00 0.00 C ATOM 625 O LEU A 40 -15.724 8.535 -3.926 1.00 0.00 O ATOM 626 CB LEU A 40 -15.691 5.878 -2.912 1.00 0.00 C ATOM 627 CG LEU A 40 -15.679 4.375 -3.212 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.397 3.742 -2.698 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.899 3.684 -2.624 1.00 0.00 C ATOM 0 H LEU A 40 -16.795 5.760 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.721 6.440 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.874 6.347 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.488 6.021 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.718 4.246 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.404 2.675 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.540 4.208 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.325 3.889 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.860 2.619 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.909 3.821 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.803 4.115 -3.053 1.00 0.00 H new ATOM 641 N HIS A 41 -17.682 8.899 -2.889 1.00 0.00 N ATOM 642 CA HIS A 41 -17.572 10.353 -2.965 1.00 0.00 C ATOM 643 C HIS A 41 -16.785 10.901 -1.777 1.00 0.00 C ATOM 644 O HIS A 41 -16.303 12.034 -1.809 1.00 0.00 O ATOM 645 CB HIS A 41 -18.961 11.012 -3.002 1.00 0.00 C ATOM 646 CG HIS A 41 -19.870 10.519 -4.101 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.912 11.102 -5.348 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.789 9.511 -4.135 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.808 10.486 -6.094 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.353 9.520 -5.383 1.00 0.00 N ATOM 0 H HIS A 41 -18.530 8.563 -2.433 1.00 0.00 H new ATOM 0 HA HIS A 41 -17.042 10.591 -3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.452 10.846 -2.043 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.833 12.089 -3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -21.027 8.833 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -21.054 10.732 -7.116 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -22.078 8.881 -5.709 1.00 0.00 H new ATOM 659 N ASP A 42 -16.652 10.091 -0.730 1.00 0.00 N ATOM 660 CA ASP A 42 -16.029 10.542 0.511 1.00 0.00 C ATOM 661 C ASP A 42 -14.696 9.840 0.765 1.00 0.00 C ATOM 662 O ASP A 42 -14.265 9.710 1.910 1.00 0.00 O ATOM 663 CB ASP A 42 -16.964 10.301 1.698 1.00 0.00 C ATOM 664 CG ASP A 42 -18.252 11.092 1.614 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.198 12.340 1.625 1.00 0.00 O ATOM 666 OD2 ASP A 42 -19.330 10.465 1.552 1.00 0.00 O ATOM 0 H ASP A 42 -16.967 9.121 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.838 11.610 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.201 9.239 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.445 10.562 2.620 1.00 0.00 H new ATOM 671 N TYR A 43 -14.031 9.408 -0.298 1.00 0.00 N ATOM 672 CA TYR A 43 -12.778 8.670 -0.160 1.00 0.00 C ATOM 673 C TYR A 43 -11.682 9.549 0.437 1.00 0.00 C ATOM 674 O TYR A 43 -10.922 9.102 1.293 1.00 0.00 O ATOM 675 CB TYR A 43 -12.349 8.096 -1.521 1.00 0.00 C ATOM 676 CG TYR A 43 -10.998 7.417 -1.529 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.861 6.108 -1.099 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.864 8.081 -1.982 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.634 5.476 -1.112 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.632 7.455 -2.001 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.521 6.154 -1.564 1.00 0.00 C ATOM 682 OH TYR A 43 -7.295 5.529 -1.581 1.00 0.00 O ATOM 0 H TYR A 43 -14.334 9.554 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.941 7.841 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.101 7.379 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.337 8.904 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.730 5.572 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.947 9.102 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.546 4.455 -0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.760 7.984 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.618 6.146 -1.929 1.00 0.00 H new ATOM 692 N HIS A 44 -11.626 10.804 0.021 1.00 0.00 N ATOM 693 CA HIS A 44 -10.589 11.713 0.502 1.00 0.00 C ATOM 694 C HIS A 44 -10.961 12.309 1.856 1.00 0.00 C ATOM 695 O HIS A 44 -10.184 13.053 2.455 1.00 0.00 O ATOM 696 CB HIS A 44 -10.323 12.824 -0.512 1.00 0.00 C ATOM 697 CG HIS A 44 -9.593 12.356 -1.734 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.220 12.392 -1.844 1.00 0.00 N ATOM 699 CD2 HIS A 44 -10.049 11.833 -2.896 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.862 11.911 -3.019 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.952 11.564 -3.675 1.00 0.00 N ATOM 0 H HIS A 44 -12.280 11.218 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.675 11.132 0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.273 13.265 -0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.743 13.612 -0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.082 11.660 -3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.849 11.817 -3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.976 11.160 -4.611 1.00 0.00 H new ATOM 710 N ASP A 45 -12.155 11.979 2.330 1.00 0.00 N ATOM 711 CA ASP A 45 -12.596 12.407 3.653 1.00 0.00 C ATOM 712 C ASP A 45 -12.105 11.427 4.705 1.00 0.00 C ATOM 713 O ASP A 45 -11.686 11.817 5.796 1.00 0.00 O ATOM 714 CB ASP A 45 -14.121 12.505 3.714 1.00 0.00 C ATOM 715 CG ASP A 45 -14.668 13.685 2.942 1.00 0.00 C ATOM 716 OD1 ASP A 45 -15.146 14.648 3.581 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.624 13.665 1.694 1.00 0.00 O ATOM 0 H ASP A 45 -12.836 11.417 1.819 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.177 13.394 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.555 11.586 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.433 12.583 4.755 1.00 0.00 H new ATOM 722 N ILE A 46 -12.164 10.149 4.368 1.00 0.00 N ATOM 723 CA ILE A 46 -11.702 9.103 5.265 1.00 0.00 C ATOM 724 C ILE A 46 -10.197 8.919 5.116 1.00 0.00 C ATOM 725 O ILE A 46 -9.461 8.903 6.104 1.00 0.00 O ATOM 726 CB ILE A 46 -12.434 7.753 5.015 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.873 7.790 5.534 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.702 6.596 5.687 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.791 8.767 4.828 1.00 0.00 C ATOM 0 H ILE A 46 -12.528 9.811 3.477 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.934 9.415 6.283 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.445 7.600 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.299 6.790 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.853 8.038 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.237 5.666 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.691 6.523 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.654 6.771 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.786 8.716 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.398 9.778 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.851 8.511 3.770 1.00 0.00 H new ATOM 741 N ILE A 47 -9.743 8.811 3.878 1.00 0.00 N ATOM 742 CA ILE A 47 -8.331 8.624 3.606 1.00 0.00 C ATOM 743 C ILE A 47 -7.618 9.969 3.580 1.00 0.00 C ATOM 744 O ILE A 47 -7.687 10.705 2.594 1.00 0.00 O ATOM 745 CB ILE A 47 -8.098 7.910 2.262 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.956 6.647 2.156 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.625 7.565 2.111 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.521 5.539 3.076 1.00 0.00 C ATOM 0 H ILE A 47 -10.333 8.850 3.047 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.929 8.000 4.404 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.392 8.583 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.992 6.903 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.928 6.285 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.465 7.060 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.032 8.479 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.320 6.908 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.176 4.678 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.495 5.254 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.576 5.881 4.109 1.00 0.00 H new ATOM 760 N LYS A 48 -6.946 10.296 4.672 1.00 0.00 N ATOM 761 CA LYS A 48 -6.228 11.556 4.768 1.00 0.00 C ATOM 762 C LYS A 48 -4.810 11.421 4.231 1.00 0.00 C ATOM 763 O LYS A 48 -4.230 12.387 3.735 1.00 0.00 O ATOM 764 CB LYS A 48 -6.205 12.043 6.211 1.00 0.00 C ATOM 765 CG LYS A 48 -7.557 12.537 6.692 1.00 0.00 C ATOM 766 CD LYS A 48 -7.970 13.804 5.961 1.00 0.00 C ATOM 767 CE LYS A 48 -9.449 14.079 6.111 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.881 14.124 7.533 1.00 0.00 N ATOM 0 H LYS A 48 -6.883 9.708 5.503 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.751 12.291 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.870 11.232 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.476 12.848 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.307 11.762 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.517 12.729 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.401 14.649 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.722 13.711 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.689 15.028 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.013 13.307 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.862 14.464 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.821 13.171 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.262 14.769 8.064 1.00 0.00 H new ATOM 782 N HIS A 49 -4.253 10.222 4.326 1.00 0.00 N ATOM 783 CA HIS A 49 -2.922 9.948 3.790 1.00 0.00 C ATOM 784 C HIS A 49 -2.978 8.850 2.720 1.00 0.00 C ATOM 785 O HIS A 49 -2.514 7.728 2.946 1.00 0.00 O ATOM 786 CB HIS A 49 -1.964 9.541 4.917 1.00 0.00 C ATOM 787 CG HIS A 49 -1.636 10.659 5.868 1.00 0.00 C ATOM 788 ND1 HIS A 49 -1.132 10.450 7.135 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.740 12.006 5.730 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.945 11.615 7.731 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.304 12.572 6.901 1.00 0.00 N ATOM 0 H HIS A 49 -4.701 9.420 4.770 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.550 10.861 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.406 8.718 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.039 9.167 4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.100 12.534 4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.562 11.758 8.731 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.264 13.572 7.097 1.00 0.00 H new ATOM 800 N PRO A 50 -3.571 9.146 1.543 1.00 0.00 N ATOM 801 CA PRO A 50 -3.622 8.195 0.429 1.00 0.00 C ATOM 802 C PRO A 50 -2.253 7.992 -0.208 1.00 0.00 C ATOM 803 O PRO A 50 -1.681 8.914 -0.796 1.00 0.00 O ATOM 804 CB PRO A 50 -4.580 8.855 -0.567 1.00 0.00 C ATOM 805 CG PRO A 50 -4.471 10.309 -0.278 1.00 0.00 C ATOM 806 CD PRO A 50 -4.257 10.410 1.207 1.00 0.00 C ATOM 0 HA PRO A 50 -3.944 7.205 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.298 8.632 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.601 8.499 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.641 10.756 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.375 10.838 -0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.650 11.277 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.201 10.509 1.743 1.00 0.00 H new ATOM 814 N MET A 51 -1.725 6.791 -0.079 1.00 0.00 N ATOM 815 CA MET A 51 -0.438 6.467 -0.658 1.00 0.00 C ATOM 816 C MET A 51 -0.518 5.147 -1.406 1.00 0.00 C ATOM 817 O MET A 51 -1.263 4.251 -1.018 1.00 0.00 O ATOM 818 CB MET A 51 0.650 6.421 0.426 1.00 0.00 C ATOM 819 CG MET A 51 2.010 5.949 -0.083 1.00 0.00 C ATOM 820 SD MET A 51 2.540 6.846 -1.560 1.00 0.00 S ATOM 821 CE MET A 51 2.478 8.533 -0.975 1.00 0.00 C ATOM 0 H MET A 51 -2.169 6.022 0.423 1.00 0.00 H new ATOM 0 HA MET A 51 -0.168 7.249 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.760 7.415 0.859 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.323 5.759 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.754 6.077 0.703 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.962 4.883 -0.306 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.037 9.175 -1.656 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.441 8.865 -0.932 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.919 8.589 0.020 1.00 0.00 H new ATOM 831 N ASP A 52 0.258 5.049 -2.474 1.00 0.00 N ATOM 832 CA ASP A 52 0.229 3.896 -3.358 1.00 0.00 C ATOM 833 C ASP A 52 1.660 3.452 -3.624 1.00 0.00 C ATOM 834 O ASP A 52 2.561 4.287 -3.634 1.00 0.00 O ATOM 835 CB ASP A 52 -0.456 4.264 -4.684 1.00 0.00 C ATOM 836 CG ASP A 52 -1.591 5.255 -4.503 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.357 6.467 -4.723 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.707 4.842 -4.135 1.00 0.00 O ATOM 0 H ASP A 52 0.926 5.768 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.333 3.088 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.283 4.685 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.841 3.358 -5.152 1.00 0.00 H new ATOM 843 N LEU A 53 1.886 2.161 -3.841 1.00 0.00 N ATOM 844 CA LEU A 53 3.242 1.661 -4.073 1.00 0.00 C ATOM 845 C LEU A 53 3.888 2.320 -5.290 1.00 0.00 C ATOM 846 O LEU A 53 5.088 2.589 -5.294 1.00 0.00 O ATOM 847 CB LEU A 53 3.245 0.144 -4.221 1.00 0.00 C ATOM 848 CG LEU A 53 3.135 -0.619 -2.905 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.845 -2.075 -3.175 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.408 -0.479 -2.096 1.00 0.00 C ATOM 0 H LEU A 53 1.159 1.446 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 53 3.838 1.925 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.416 -0.147 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.163 -0.158 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 53 2.314 -0.195 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.768 -2.612 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.905 -2.164 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.652 -2.502 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.308 -1.031 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.247 -0.879 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.587 0.574 -1.878 1.00 0.00 H new ATOM 862 N SER A 54 3.085 2.602 -6.308 1.00 0.00 N ATOM 863 CA SER A 54 3.581 3.288 -7.502 1.00 0.00 C ATOM 864 C SER A 54 4.021 4.716 -7.158 1.00 0.00 C ATOM 865 O SER A 54 4.951 5.250 -7.761 1.00 0.00 O ATOM 866 CB SER A 54 2.515 3.296 -8.608 1.00 0.00 C ATOM 867 OG SER A 54 2.846 4.192 -9.657 1.00 0.00 O ATOM 0 H SER A 54 2.092 2.369 -6.335 1.00 0.00 H new ATOM 0 HA SER A 54 4.449 2.744 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.404 2.290 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.552 3.577 -8.182 1.00 0.00 H new ATOM 0 HG SER A 54 2.233 4.957 -9.640 1.00 0.00 H new ATOM 873 N THR A 55 3.371 5.314 -6.167 1.00 0.00 N ATOM 874 CA THR A 55 3.703 6.660 -5.732 1.00 0.00 C ATOM 875 C THR A 55 4.923 6.632 -4.820 1.00 0.00 C ATOM 876 O THR A 55 5.766 7.527 -4.862 1.00 0.00 O ATOM 877 CB THR A 55 2.524 7.309 -4.987 1.00 0.00 C ATOM 878 OG1 THR A 55 1.292 6.917 -5.608 1.00 0.00 O ATOM 879 CG2 THR A 55 2.649 8.820 -5.021 1.00 0.00 C ATOM 0 H THR A 55 2.606 4.882 -5.648 1.00 0.00 H new ATOM 0 HA THR A 55 3.923 7.253 -6.620 1.00 0.00 H new ATOM 0 HB THR A 55 2.535 6.976 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.577 6.904 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.808 9.267 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.581 9.119 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.648 9.162 -6.056 1.00 0.00 H new ATOM 887 N VAL A 56 5.011 5.587 -4.004 1.00 0.00 N ATOM 888 CA VAL A 56 6.165 5.379 -3.140 1.00 0.00 C ATOM 889 C VAL A 56 7.409 5.224 -3.996 1.00 0.00 C ATOM 890 O VAL A 56 8.449 5.829 -3.735 1.00 0.00 O ATOM 891 CB VAL A 56 6.002 4.117 -2.261 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.256 3.860 -1.438 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.800 4.249 -1.345 1.00 0.00 C ATOM 0 H VAL A 56 4.292 4.868 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 56 6.252 6.244 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 56 5.844 3.269 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.115 2.967 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.105 3.714 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.447 4.715 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.706 3.350 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.931 5.114 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.899 4.378 -1.944 1.00 0.00 H new ATOM 903 N LYS A 57 7.279 4.421 -5.038 1.00 0.00 N ATOM 904 CA LYS A 57 8.379 4.179 -5.947 1.00 0.00 C ATOM 905 C LYS A 57 8.744 5.452 -6.676 1.00 0.00 C ATOM 906 O LYS A 57 9.917 5.774 -6.848 1.00 0.00 O ATOM 907 CB LYS A 57 8.030 3.095 -6.951 1.00 0.00 C ATOM 908 CG LYS A 57 9.199 2.174 -7.225 1.00 0.00 C ATOM 909 CD LYS A 57 8.916 1.203 -8.348 1.00 0.00 C ATOM 910 CE LYS A 57 9.977 0.123 -8.381 1.00 0.00 C ATOM 911 NZ LYS A 57 9.785 -0.821 -9.510 1.00 0.00 N ATOM 0 H LYS A 57 6.419 3.926 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 57 9.233 3.842 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.190 2.511 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.706 3.556 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.077 2.770 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.440 1.618 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.932 0.753 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.895 1.732 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.961 0.586 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.959 -0.429 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.535 -1.542 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.858 -1.284 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.828 -0.300 -10.409 1.00 0.00 H new ATOM 925 N ARG A 58 7.714 6.163 -7.089 1.00 0.00 N ATOM 926 CA ARG A 58 7.863 7.452 -7.746 1.00 0.00 C ATOM 927 C ARG A 58 8.699 8.394 -6.890 1.00 0.00 C ATOM 928 O ARG A 58 9.685 8.976 -7.347 1.00 0.00 O ATOM 929 CB ARG A 58 6.481 8.056 -7.966 1.00 0.00 C ATOM 930 CG ARG A 58 6.495 9.387 -8.695 1.00 0.00 C ATOM 931 CD ARG A 58 5.108 9.996 -8.749 1.00 0.00 C ATOM 932 NE ARG A 58 4.138 9.079 -9.336 1.00 0.00 N ATOM 933 CZ ARG A 58 2.837 9.088 -9.063 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.331 9.975 -8.213 1.00 0.00 N ATOM 935 NH2 ARG A 58 2.040 8.200 -9.644 1.00 0.00 N ATOM 0 H ARG A 58 6.745 5.864 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 58 8.369 7.311 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.874 7.350 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.996 8.189 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.177 10.073 -8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.873 9.246 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.790 10.266 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.137 10.917 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 58 4.480 8.385 -10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.942 10.657 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.331 9.974 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.427 7.517 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.041 8.201 -9.439 1.00 0.00 H new ATOM 949 N LYS A 59 8.304 8.516 -5.635 1.00 0.00 N ATOM 950 CA LYS A 59 8.965 9.411 -4.708 1.00 0.00 C ATOM 951 C LYS A 59 10.338 8.873 -4.302 1.00 0.00 C ATOM 952 O LYS A 59 11.224 9.645 -3.932 1.00 0.00 O ATOM 953 CB LYS A 59 8.072 9.644 -3.487 1.00 0.00 C ATOM 954 CG LYS A 59 6.773 10.365 -3.823 1.00 0.00 C ATOM 955 CD LYS A 59 5.727 10.252 -2.715 1.00 0.00 C ATOM 956 CE LYS A 59 6.263 10.693 -1.360 1.00 0.00 C ATOM 957 NZ LYS A 59 6.703 9.538 -0.533 1.00 0.00 N ATOM 0 H LYS A 59 7.521 8.000 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 59 9.131 10.368 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.839 8.684 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.623 10.226 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.985 11.418 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.363 9.954 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.860 10.860 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.384 9.220 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.101 11.375 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.490 11.247 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.108 9.885 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.887 8.926 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.422 8.994 -1.051 1.00 0.00 H new ATOM 971 N MET A 60 10.531 7.552 -4.377 1.00 0.00 N ATOM 972 CA MET A 60 11.848 6.982 -4.112 1.00 0.00 C ATOM 973 C MET A 60 12.771 7.285 -5.279 1.00 0.00 C ATOM 974 O MET A 60 13.967 7.507 -5.099 1.00 0.00 O ATOM 975 CB MET A 60 11.815 5.461 -3.915 1.00 0.00 C ATOM 976 CG MET A 60 13.092 4.914 -3.249 1.00 0.00 C ATOM 977 SD MET A 60 12.921 4.894 -1.467 1.00 0.00 S ATOM 978 CE MET A 60 11.548 3.751 -1.357 1.00 0.00 C ATOM 0 H MET A 60 9.807 6.873 -4.614 1.00 0.00 H new ATOM 0 HA MET A 60 12.204 7.434 -3.186 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.952 5.198 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.680 4.977 -4.883 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.293 3.906 -3.611 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.946 5.530 -3.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.570 3.248 -0.390 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.611 4.297 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.626 3.011 -2.153 1.00 0.00 H new ATOM 988 N GLU A 61 12.204 7.278 -6.486 1.00 0.00 N ATOM 989 CA GLU A 61 12.961 7.621 -7.683 1.00 0.00 C ATOM 990 C GLU A 61 13.431 9.063 -7.612 1.00 0.00 C ATOM 991 O GLU A 61 14.485 9.411 -8.136 1.00 0.00 O ATOM 992 CB GLU A 61 12.121 7.410 -8.942 1.00 0.00 C ATOM 993 CG GLU A 61 11.906 5.947 -9.296 1.00 0.00 C ATOM 994 CD GLU A 61 11.154 5.767 -10.597 1.00 0.00 C ATOM 995 OE1 GLU A 61 9.953 6.103 -10.647 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.761 5.286 -11.581 1.00 0.00 O ATOM 0 H GLU A 61 11.227 7.039 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 61 13.828 6.963 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.151 7.888 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.607 7.910 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.873 5.449 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.355 5.460 -8.492 1.00 0.00 H new ATOM 1003 N ASN A 62 12.646 9.891 -6.941 1.00 0.00 N ATOM 1004 CA ASN A 62 13.005 11.289 -6.732 1.00 0.00 C ATOM 1005 C ASN A 62 13.908 11.422 -5.517 1.00 0.00 C ATOM 1006 O ASN A 62 14.352 12.514 -5.171 1.00 0.00 O ATOM 1007 CB ASN A 62 11.761 12.164 -6.549 1.00 0.00 C ATOM 1008 CG ASN A 62 11.012 12.438 -7.844 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.386 13.487 -7.997 1.00 0.00 O ATOM 1010 ND2 ASN A 62 11.059 11.508 -8.784 1.00 0.00 N ATOM 0 H ASN A 62 11.753 9.620 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 62 13.536 11.632 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.086 11.678 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.057 13.113 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.568 11.650 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.587 10.650 -8.626 1.00 0.00 H new ATOM 1017 N ARG A 63 14.163 10.279 -4.884 1.00 0.00 N ATOM 1018 CA ARG A 63 15.066 10.174 -3.746 1.00 0.00 C ATOM 1019 C ARG A 63 14.637 11.091 -2.610 1.00 0.00 C ATOM 1020 O ARG A 63 15.470 11.654 -1.901 1.00 0.00 O ATOM 1021 CB ARG A 63 16.495 10.489 -4.184 1.00 0.00 C ATOM 1022 CG ARG A 63 16.957 9.677 -5.381 1.00 0.00 C ATOM 1023 CD ARG A 63 17.241 8.224 -5.025 1.00 0.00 C ATOM 1024 NE ARG A 63 17.481 7.416 -6.222 1.00 0.00 N ATOM 1025 CZ ARG A 63 18.689 7.200 -6.746 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.768 7.743 -6.192 1.00 0.00 N ATOM 1027 NH2 ARG A 63 18.817 6.449 -7.830 1.00 0.00 N ATOM 0 H ARG A 63 13.742 9.390 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 63 15.027 9.151 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.567 11.549 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.171 10.306 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.194 9.715 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.858 10.129 -5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.110 8.172 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.398 7.813 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 63 16.676 6.992 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.675 8.328 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.689 7.574 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.992 6.036 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.741 6.284 -8.230 1.00 0.00 H new ATOM 1041 N ASP A 64 13.328 11.233 -2.446 1.00 0.00 N ATOM 1042 CA ASP A 64 12.774 12.015 -1.341 1.00 0.00 C ATOM 1043 C ASP A 64 13.025 11.324 -0.006 1.00 0.00 C ATOM 1044 O ASP A 64 12.974 11.952 1.052 1.00 0.00 O ATOM 1045 CB ASP A 64 11.269 12.233 -1.527 1.00 0.00 C ATOM 1046 CG ASP A 64 10.949 13.458 -2.356 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.616 13.312 -3.551 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.024 14.579 -1.812 1.00 0.00 O ATOM 0 H ASP A 64 12.628 10.819 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 64 13.276 12.982 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.836 11.354 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.797 12.329 -0.549 1.00 0.00 H new ATOM 1053 N TYR A 65 13.306 10.033 -0.068 1.00 0.00 N ATOM 1054 CA TYR A 65 13.474 9.215 1.125 1.00 0.00 C ATOM 1055 C TYR A 65 14.929 9.241 1.565 1.00 0.00 C ATOM 1056 O TYR A 65 15.836 9.222 0.731 1.00 0.00 O ATOM 1057 CB TYR A 65 13.062 7.761 0.851 1.00 0.00 C ATOM 1058 CG TYR A 65 11.636 7.570 0.362 1.00 0.00 C ATOM 1059 CD1 TYR A 65 10.915 6.434 0.702 1.00 0.00 C ATOM 1060 CD2 TYR A 65 11.020 8.504 -0.454 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.626 6.243 0.242 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.740 8.323 -0.909 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.045 7.196 -0.563 1.00 0.00 C ATOM 1064 OH TYR A 65 7.766 7.025 -1.035 1.00 0.00 O ATOM 0 H TYR A 65 13.424 9.522 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 65 12.838 9.623 1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.742 7.342 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.195 7.185 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.369 5.687 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.560 9.395 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.078 5.352 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.280 9.069 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 65 7.155 6.888 -0.281 1.00 0.00 H new ATOM 1074 N ARG A 66 15.150 9.296 2.866 1.00 0.00 N ATOM 1075 CA ARG A 66 16.499 9.298 3.405 1.00 0.00 C ATOM 1076 C ARG A 66 16.886 7.891 3.854 1.00 0.00 C ATOM 1077 O ARG A 66 18.051 7.505 3.760 1.00 0.00 O ATOM 1078 CB ARG A 66 16.580 10.314 4.563 1.00 0.00 C ATOM 1079 CG ARG A 66 17.986 10.699 5.039 1.00 0.00 C ATOM 1080 CD ARG A 66 18.650 9.632 5.901 1.00 0.00 C ATOM 1081 NE ARG A 66 19.926 10.103 6.444 1.00 0.00 N ATOM 1082 CZ ARG A 66 20.736 9.381 7.221 1.00 0.00 C ATOM 1083 NH1 ARG A 66 20.449 8.120 7.509 1.00 0.00 N ATOM 1084 NH2 ARG A 66 21.852 9.922 7.694 1.00 0.00 N ATOM 0 H ARG A 66 14.413 9.340 3.570 1.00 0.00 H new ATOM 0 HA ARG A 66 17.210 9.600 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.063 11.223 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.032 9.907 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.614 10.895 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.927 11.628 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.984 9.356 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.815 8.733 5.307 1.00 0.00 H new ATOM 0 HE ARG A 66 20.217 11.053 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.602 7.692 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.075 7.577 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 66 22.088 10.887 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.473 9.373 8.288 1.00 0.00 H new ATOM 1098 N ASP A 67 15.904 7.108 4.299 1.00 0.00 N ATOM 1099 CA ASP A 67 16.174 5.771 4.805 1.00 0.00 C ATOM 1100 C ASP A 67 14.965 4.876 4.585 1.00 0.00 C ATOM 1101 O ASP A 67 13.868 5.358 4.293 1.00 0.00 O ATOM 1102 CB ASP A 67 16.544 5.825 6.291 1.00 0.00 C ATOM 1103 CG ASP A 67 18.008 5.523 6.530 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.838 6.437 6.375 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.333 4.368 6.882 1.00 0.00 O ATOM 0 H ASP A 67 14.921 7.378 4.318 1.00 0.00 H new ATOM 0 HA ASP A 67 17.020 5.353 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.310 6.814 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.933 5.109 6.841 1.00 0.00 H new ATOM 1110 N ALA A 68 15.171 3.573 4.732 1.00 0.00 N ATOM 1111 CA ALA A 68 14.134 2.589 4.442 1.00 0.00 C ATOM 1112 C ALA A 68 13.004 2.665 5.452 1.00 0.00 C ATOM 1113 O ALA A 68 11.917 2.148 5.214 1.00 0.00 O ATOM 1114 CB ALA A 68 14.715 1.190 4.421 1.00 0.00 C ATOM 0 H ALA A 68 16.052 3.171 5.052 1.00 0.00 H new ATOM 0 HA ALA A 68 13.729 2.819 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.925 0.471 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.485 1.127 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.154 0.964 5.393 1.00 0.00 H new ATOM 1120 N GLN A 69 13.265 3.306 6.579 1.00 0.00 N ATOM 1121 CA GLN A 69 12.237 3.507 7.583 1.00 0.00 C ATOM 1122 C GLN A 69 11.220 4.520 7.076 1.00 0.00 C ATOM 1123 O GLN A 69 10.028 4.408 7.348 1.00 0.00 O ATOM 1124 CB GLN A 69 12.835 3.979 8.907 1.00 0.00 C ATOM 1125 CG GLN A 69 11.816 4.016 10.031 1.00 0.00 C ATOM 1126 CD GLN A 69 11.347 2.634 10.448 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.363 2.116 9.923 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.048 2.030 11.394 1.00 0.00 N ATOM 0 H GLN A 69 14.177 3.694 6.820 1.00 0.00 H new ATOM 0 HA GLN A 69 11.744 2.552 7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.655 3.317 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.260 4.974 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.251 4.522 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.956 4.606 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.858 2.495 11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.778 1.100 11.713 1.00 0.00 H new ATOM 1137 N GLU A 70 11.701 5.499 6.316 1.00 0.00 N ATOM 1138 CA GLU A 70 10.824 6.468 5.687 1.00 0.00 C ATOM 1139 C GLU A 70 10.016 5.790 4.593 1.00 0.00 C ATOM 1140 O GLU A 70 8.867 6.146 4.339 1.00 0.00 O ATOM 1141 CB GLU A 70 11.611 7.646 5.118 1.00 0.00 C ATOM 1142 CG GLU A 70 12.264 8.504 6.183 1.00 0.00 C ATOM 1143 CD GLU A 70 12.557 9.901 5.686 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.452 10.057 4.832 1.00 0.00 O ATOM 1145 OE2 GLU A 70 11.882 10.850 6.147 1.00 0.00 O ATOM 0 H GLU A 70 12.693 5.638 6.124 1.00 0.00 H new ATOM 0 HA GLU A 70 10.147 6.862 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.380 7.268 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.942 8.266 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.611 8.559 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.192 8.033 6.509 1.00 0.00 H new ATOM 1152 N PHE A 71 10.628 4.802 3.956 1.00 0.00 N ATOM 1153 CA PHE A 71 9.918 3.962 3.007 1.00 0.00 C ATOM 1154 C PHE A 71 8.835 3.185 3.728 1.00 0.00 C ATOM 1155 O PHE A 71 7.668 3.239 3.346 1.00 0.00 O ATOM 1156 CB PHE A 71 10.865 2.985 2.303 1.00 0.00 C ATOM 1157 CG PHE A 71 10.154 1.775 1.745 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.501 1.838 0.528 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.129 0.579 2.451 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.838 0.736 0.021 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.467 -0.525 1.951 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.820 -0.446 0.733 1.00 0.00 C ATOM 0 H PHE A 71 11.612 4.564 4.080 1.00 0.00 H new ATOM 0 HA PHE A 71 9.475 4.609 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.378 3.504 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.630 2.658 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.509 2.760 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.634 0.512 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.334 0.800 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.455 -1.448 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.301 -1.307 0.339 1.00 0.00 H new ATOM 1172 N ALA A 72 9.243 2.458 4.770 1.00 0.00 N ATOM 1173 CA ALA A 72 8.324 1.673 5.570 1.00 0.00 C ATOM 1174 C ALA A 72 7.169 2.534 6.033 1.00 0.00 C ATOM 1175 O ALA A 72 6.017 2.136 5.935 1.00 0.00 O ATOM 1176 CB ALA A 72 9.050 1.055 6.758 1.00 0.00 C ATOM 0 H ALA A 72 10.215 2.402 5.075 1.00 0.00 H new ATOM 0 HA ALA A 72 7.925 0.864 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.347 0.469 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.850 0.408 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.473 1.846 7.377 1.00 0.00 H new ATOM 1182 N ALA A 73 7.497 3.731 6.494 1.00 0.00 N ATOM 1183 CA ALA A 73 6.509 4.703 6.930 1.00 0.00 C ATOM 1184 C ALA A 73 5.460 4.954 5.848 1.00 0.00 C ATOM 1185 O ALA A 73 4.260 4.982 6.124 1.00 0.00 O ATOM 1186 CB ALA A 73 7.215 6.000 7.297 1.00 0.00 C ATOM 0 H ALA A 73 8.460 4.056 6.576 1.00 0.00 H new ATOM 0 HA ALA A 73 5.989 4.308 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.479 6.734 7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.925 5.812 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.747 6.384 6.426 1.00 0.00 H new ATOM 1192 N ASP A 74 5.919 5.102 4.615 1.00 0.00 N ATOM 1193 CA ASP A 74 5.042 5.445 3.501 1.00 0.00 C ATOM 1194 C ASP A 74 4.209 4.239 3.062 1.00 0.00 C ATOM 1195 O ASP A 74 2.986 4.328 2.927 1.00 0.00 O ATOM 1196 CB ASP A 74 5.877 5.970 2.327 1.00 0.00 C ATOM 1197 CG ASP A 74 5.151 7.023 1.513 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.202 7.642 2.037 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.560 7.271 0.360 1.00 0.00 O ATOM 0 H ASP A 74 6.900 4.990 4.357 1.00 0.00 H new ATOM 0 HA ASP A 74 4.354 6.224 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.808 6.390 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.146 5.137 1.677 1.00 0.00 H new ATOM 1204 N VAL A 75 4.871 3.101 2.871 1.00 0.00 N ATOM 1205 CA VAL A 75 4.190 1.892 2.409 1.00 0.00 C ATOM 1206 C VAL A 75 3.214 1.363 3.461 1.00 0.00 C ATOM 1207 O VAL A 75 2.108 0.933 3.132 1.00 0.00 O ATOM 1208 CB VAL A 75 5.193 0.779 2.010 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.234 0.559 3.088 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.478 -0.528 1.707 1.00 0.00 C ATOM 0 H VAL A 75 5.873 2.989 3.028 1.00 0.00 H new ATOM 0 HA VAL A 75 3.625 2.174 1.520 1.00 0.00 H new ATOM 0 HB VAL A 75 5.698 1.117 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.921 -0.228 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.790 1.482 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.742 0.264 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.210 -1.287 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.930 -0.856 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.781 -0.379 0.882 1.00 0.00 H new ATOM 1220 N ARG A 76 3.606 1.416 4.727 1.00 0.00 N ATOM 1221 CA ARG A 76 2.747 0.919 5.791 1.00 0.00 C ATOM 1222 C ARG A 76 1.579 1.871 6.021 1.00 0.00 C ATOM 1223 O ARG A 76 0.522 1.461 6.497 1.00 0.00 O ATOM 1224 CB ARG A 76 3.541 0.698 7.080 1.00 0.00 C ATOM 1225 CG ARG A 76 3.855 1.969 7.857 1.00 0.00 C ATOM 1226 CD ARG A 76 4.910 1.712 8.918 1.00 0.00 C ATOM 1227 NE ARG A 76 5.336 2.935 9.587 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.562 3.123 10.074 1.00 0.00 C ATOM 1229 NH1 ARG A 76 7.478 2.164 9.973 1.00 0.00 N ATOM 1230 NH2 ARG A 76 6.867 4.270 10.666 1.00 0.00 N ATOM 0 H ARG A 76 4.501 1.793 5.039 1.00 0.00 H new ATOM 0 HA ARG A 76 2.344 -0.046 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.980 0.023 7.726 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.478 0.198 6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.204 2.741 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.946 2.346 8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.515 1.015 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.774 1.233 8.458 1.00 0.00 H new ATOM 0 HE ARG A 76 4.657 3.690 9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.243 1.280 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.415 2.312 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.164 5.005 10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.804 4.417 11.040 1.00 0.00 H new ATOM 1244 N LEU A 77 1.767 3.143 5.668 1.00 0.00 N ATOM 1245 CA LEU A 77 0.681 4.111 5.704 1.00 0.00 C ATOM 1246 C LEU A 77 -0.380 3.724 4.682 1.00 0.00 C ATOM 1247 O LEU A 77 -1.576 3.911 4.908 1.00 0.00 O ATOM 1248 CB LEU A 77 1.208 5.518 5.409 1.00 0.00 C ATOM 1249 CG LEU A 77 0.786 6.598 6.407 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.235 7.960 5.927 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.716 6.571 6.635 1.00 0.00 C ATOM 0 H LEU A 77 2.661 3.522 5.355 1.00 0.00 H new ATOM 0 HA LEU A 77 0.239 4.111 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.297 5.481 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.871 5.813 4.415 1.00 0.00 H new ATOM 0 HG LEU A 77 1.270 6.392 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.928 8.719 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.320 7.971 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.781 8.173 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.990 7.348 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.231 6.748 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.007 5.598 7.030 1.00 0.00 H new ATOM 1263 N MET A 78 0.070 3.169 3.563 1.00 0.00 N ATOM 1264 CA MET A 78 -0.836 2.678 2.536 1.00 0.00 C ATOM 1265 C MET A 78 -1.704 1.541 3.079 1.00 0.00 C ATOM 1266 O MET A 78 -2.932 1.583 2.971 1.00 0.00 O ATOM 1267 CB MET A 78 -0.052 2.243 1.293 1.00 0.00 C ATOM 1268 CG MET A 78 -0.882 1.489 0.267 1.00 0.00 C ATOM 1269 SD MET A 78 -0.822 -0.293 0.520 1.00 0.00 S ATOM 1270 CE MET A 78 0.870 -0.647 0.041 1.00 0.00 C ATOM 0 H MET A 78 1.059 3.048 3.345 1.00 0.00 H new ATOM 0 HA MET A 78 -1.503 3.489 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.376 3.126 0.819 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.781 1.613 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.917 1.827 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.521 1.724 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.880 -1.461 -0.684 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.315 0.242 -0.405 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.444 -0.938 0.921 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.074 0.537 3.684 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.823 -0.551 4.311 1.00 0.00 C ATOM 1282 C PHE A 79 -2.753 -0.005 5.402 1.00 0.00 C ATOM 1283 O PHE A 79 -3.883 -0.478 5.578 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.887 -1.611 4.901 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.012 -2.295 3.887 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.564 -2.917 2.778 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.360 -2.321 4.049 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.242 -3.547 1.847 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.170 -2.950 3.125 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.613 -3.564 2.022 1.00 0.00 C ATOM 0 H PHE A 79 -0.060 0.453 3.754 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.424 -1.026 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.253 -1.141 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.486 -2.364 5.414 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.635 -2.910 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.804 -1.843 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.199 -4.025 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.241 -2.962 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.246 -4.056 1.298 1.00 0.00 H new ATOM 1300 N SER A 80 -2.275 1.013 6.113 1.00 0.00 N ATOM 1301 CA SER A 80 -3.031 1.624 7.196 1.00 0.00 C ATOM 1302 C SER A 80 -4.318 2.284 6.696 1.00 0.00 C ATOM 1303 O SER A 80 -5.386 2.073 7.277 1.00 0.00 O ATOM 1304 CB SER A 80 -2.168 2.651 7.935 1.00 0.00 C ATOM 1305 OG SER A 80 -1.049 2.028 8.552 1.00 0.00 O ATOM 0 H SER A 80 -1.359 1.433 5.954 1.00 0.00 H new ATOM 0 HA SER A 80 -3.314 0.827 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.824 3.413 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.768 3.159 8.690 1.00 0.00 H new ATOM 0 HG SER A 80 -0.369 1.831 7.874 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.232 3.072 5.622 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.413 3.781 5.130 1.00 0.00 C ATOM 1313 C ASN A 81 -6.456 2.797 4.603 1.00 0.00 C ATOM 1314 O ASN A 81 -7.655 3.059 4.690 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.076 4.854 4.072 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.569 4.303 2.755 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.337 3.788 1.945 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.285 4.473 2.499 1.00 0.00 N ATOM 0 H ASN A 81 -3.378 3.233 5.088 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.834 4.314 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.968 5.451 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.324 5.527 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.899 4.173 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.679 4.905 3.197 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.007 1.652 4.091 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.946 0.608 3.653 1.00 0.00 C ATOM 1327 C CYS A 82 -7.800 0.135 4.826 1.00 0.00 C ATOM 1328 O CYS A 82 -9.021 0.012 4.696 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.245 -0.606 3.007 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.341 -2.020 2.740 1.00 0.00 S ATOM 0 H CYS A 82 -5.021 1.421 3.969 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.575 1.064 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.819 -0.302 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.415 -0.916 3.642 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.486 -2.673 3.855 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.163 -0.114 5.975 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.898 -0.578 7.155 1.00 0.00 C ATOM 1338 C TYR A 83 -8.831 0.504 7.689 1.00 0.00 C ATOM 1339 O TYR A 83 -9.818 0.201 8.364 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.960 -1.008 8.287 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.038 -2.166 7.952 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.470 -3.211 7.139 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.741 -2.231 8.466 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.644 -4.278 6.849 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.914 -3.296 8.174 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.368 -4.315 7.370 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.538 -5.375 7.087 1.00 0.00 O ATOM 0 H TYR A 83 -6.158 -0.004 6.112 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.479 -1.440 6.827 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.352 -0.152 8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.562 -1.282 9.153 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.469 -3.186 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.380 -1.436 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.995 -5.080 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.912 -3.329 8.576 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.675 -5.243 7.532 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.512 1.763 7.403 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.364 2.871 7.818 1.00 0.00 C ATOM 1359 C LYS A 84 -10.686 2.825 7.084 1.00 0.00 C ATOM 1360 O LYS A 84 -11.750 2.993 7.678 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.715 4.221 7.523 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.480 4.529 8.345 1.00 0.00 C ATOM 1363 CD LYS A 84 -6.931 5.908 8.006 1.00 0.00 C ATOM 1364 CE LYS A 84 -7.987 6.998 8.171 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.497 7.079 9.568 1.00 0.00 N ATOM 0 H LYS A 84 -7.675 2.040 6.889 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.515 2.766 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.449 4.256 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.452 5.006 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.724 4.481 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.717 3.774 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.079 6.128 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.564 5.910 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.562 7.960 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.818 6.802 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.135 7.896 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.016 6.208 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.697 7.190 10.224 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.600 2.604 5.787 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.758 2.687 4.928 1.00 0.00 C ATOM 1381 C TYR A 85 -12.574 1.405 4.977 1.00 0.00 C ATOM 1382 O TYR A 85 -13.742 1.404 5.363 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.323 2.958 3.493 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.484 3.302 2.595 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -13.031 4.567 2.661 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -13.046 2.385 1.707 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.098 4.927 1.874 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.119 2.741 0.914 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.638 4.014 1.005 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.695 4.381 0.212 1.00 0.00 O ATOM 0 H TYR A 85 -9.733 2.364 5.305 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.382 3.506 5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.604 3.777 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.811 2.080 3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.612 5.289 3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.638 1.387 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.509 5.924 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.548 2.027 0.227 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.780 5.357 0.212 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.937 0.314 4.603 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.620 -0.953 4.436 1.00 0.00 C ATOM 1402 C ASN A 86 -12.743 -1.665 5.775 1.00 0.00 C ATOM 1403 O ASN A 86 -11.764 -1.786 6.511 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.852 -1.830 3.440 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.571 -1.124 2.130 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.348 -1.211 1.182 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.444 -0.432 2.064 1.00 0.00 N ATOM 0 H ASN A 86 -10.937 0.280 4.407 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.621 -0.767 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.909 -2.141 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.426 -2.736 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.194 0.054 1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.826 -0.385 2.874 1.00 0.00 H new ATOM 1414 N PRO A 87 -13.959 -2.115 6.121 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.203 -2.866 7.356 1.00 0.00 C ATOM 1416 C PRO A 87 -13.470 -4.211 7.359 1.00 0.00 C ATOM 1417 O PRO A 87 -13.100 -4.724 6.301 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.725 -3.064 7.369 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.164 -2.873 5.960 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.192 -1.913 5.339 1.00 0.00 C ATOM 0 HA PRO A 87 -13.836 -2.342 8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -15.988 -4.058 7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.208 -2.346 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.169 -3.822 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.179 -2.478 5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.036 -2.128 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.546 -0.884 5.406 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.258 -4.783 8.568 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.388 -5.957 8.799 1.00 0.00 C ATOM 1430 C PRO A 88 -12.625 -7.131 7.849 1.00 0.00 C ATOM 1431 O PRO A 88 -11.713 -7.932 7.617 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.715 -6.380 10.241 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.914 -5.584 10.635 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.853 -4.324 9.827 1.00 0.00 C ATOM 0 HA PRO A 88 -11.347 -5.685 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.919 -7.449 10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.876 -6.179 10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.833 -6.134 10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.904 -5.364 11.703 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.842 -3.891 9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.242 -3.561 10.310 1.00 0.00 H new ATOM 1442 N ASP A 89 -13.832 -7.246 7.317 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.135 -8.301 6.358 1.00 0.00 C ATOM 1444 C ASP A 89 -14.389 -7.698 4.986 1.00 0.00 C ATOM 1445 O ASP A 89 -15.522 -7.353 4.641 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.345 -9.137 6.803 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.582 -10.336 5.900 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.528 -10.301 5.087 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -14.829 -11.326 6.007 1.00 0.00 O ATOM 0 H ASP A 89 -14.614 -6.627 7.530 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.273 -8.966 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.190 -9.480 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.235 -8.508 6.809 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.320 -7.550 4.218 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.405 -7.025 2.865 1.00 0.00 C ATOM 1456 C HIS A 90 -12.150 -7.426 2.097 1.00 0.00 C ATOM 1457 O HIS A 90 -11.090 -7.574 2.696 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.538 -5.493 2.872 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.250 -4.939 1.658 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.605 -4.709 0.461 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.546 -4.576 1.446 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.464 -4.237 -0.420 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.645 -4.146 0.147 1.00 0.00 N ATOM 0 H HIS A 90 -12.374 -7.789 4.514 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.291 -7.440 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.077 -5.188 3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.543 -5.051 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.348 -4.619 2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.234 -3.969 -1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.496 -3.811 -0.304 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.256 -7.609 0.794 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.121 -8.085 -0.005 1.00 0.00 C ATOM 1474 C ASP A 91 -9.859 -7.251 0.211 1.00 0.00 C ATOM 1475 O ASP A 91 -8.771 -7.799 0.390 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.477 -8.100 -1.490 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.430 -9.224 -1.840 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.630 -9.114 -1.520 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -11.977 -10.232 -2.424 1.00 0.00 O ATOM 0 H ASP A 91 -13.108 -7.439 0.260 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.908 -9.099 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.928 -7.146 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.566 -8.202 -2.079 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.009 -5.930 0.235 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.855 -5.033 0.276 1.00 0.00 C ATOM 1486 C VAL A 92 -8.114 -5.128 1.604 1.00 0.00 C ATOM 1487 O VAL A 92 -6.912 -4.888 1.654 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.230 -3.559 0.001 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.268 -2.952 -1.000 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.657 -3.437 -0.492 1.00 0.00 C ATOM 0 H VAL A 92 -10.913 -5.457 0.227 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.197 -5.368 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.155 -3.010 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.543 -1.914 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.254 -2.993 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.314 -3.512 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.890 -2.388 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.772 -4.002 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.338 -3.833 0.262 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.810 -5.499 2.675 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.151 -5.644 3.968 1.00 0.00 C ATOM 1502 C VAL A 93 -7.456 -6.995 4.046 1.00 0.00 C ATOM 1503 O VAL A 93 -6.370 -7.110 4.605 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.118 -5.474 5.169 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -9.884 -4.175 5.052 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.085 -6.638 5.287 1.00 0.00 C ATOM 0 H VAL A 93 -9.810 -5.701 2.675 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.419 -4.840 4.040 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.510 -5.453 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.558 -4.072 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.184 -3.340 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.463 -4.176 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.744 -6.479 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.681 -6.710 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.526 -7.563 5.428 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.079 -8.008 3.453 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.483 -9.335 3.380 1.00 0.00 C ATOM 1518 C ALA A 94 -6.213 -9.291 2.546 1.00 0.00 C ATOM 1519 O ALA A 94 -5.194 -9.883 2.905 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.473 -10.337 2.802 1.00 0.00 C ATOM 0 H ALA A 94 -8.998 -7.934 3.016 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.226 -9.659 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.009 -11.322 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.358 -10.382 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.763 -10.025 1.799 1.00 0.00 H new ATOM 1526 N MET A 95 -6.277 -8.560 1.441 1.00 0.00 N ATOM 1527 CA MET A 95 -5.122 -8.380 0.579 1.00 0.00 C ATOM 1528 C MET A 95 -4.077 -7.509 1.272 1.00 0.00 C ATOM 1529 O MET A 95 -2.878 -7.731 1.116 1.00 0.00 O ATOM 1530 CB MET A 95 -5.537 -7.774 -0.771 1.00 0.00 C ATOM 1531 CG MET A 95 -6.442 -8.684 -1.604 1.00 0.00 C ATOM 1532 SD MET A 95 -6.692 -8.080 -3.288 1.00 0.00 S ATOM 1533 CE MET A 95 -8.172 -7.085 -3.107 1.00 0.00 C ATOM 0 H MET A 95 -7.120 -8.082 1.122 1.00 0.00 H new ATOM 0 HA MET A 95 -4.680 -9.357 0.383 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.052 -6.830 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.640 -7.544 -1.346 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.007 -9.683 -1.643 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.409 -8.777 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.013 -7.594 -3.578 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.384 -6.938 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.020 -6.117 -3.584 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.534 -6.544 2.074 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.622 -5.681 2.820 1.00 0.00 C ATOM 1545 C ALA A 96 -2.925 -6.469 3.925 1.00 0.00 C ATOM 1546 O ALA A 96 -1.787 -6.181 4.273 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.357 -4.482 3.410 1.00 0.00 C ATOM 0 H ALA A 96 -5.523 -6.343 2.221 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.870 -5.309 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.652 -3.858 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.807 -3.900 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.137 -4.830 4.087 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.619 -7.461 4.477 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.052 -8.303 5.530 1.00 0.00 C ATOM 1555 C ARG A 97 -2.028 -9.280 4.961 1.00 0.00 C ATOM 1556 O ARG A 97 -0.962 -9.485 5.540 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.150 -9.076 6.268 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.031 -8.193 7.143 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.083 -8.992 7.899 1.00 0.00 C ATOM 1560 NE ARG A 97 -7.022 -9.664 7.002 1.00 0.00 N ATOM 1561 CZ ARG A 97 -8.342 -9.460 7.004 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.889 -8.558 7.815 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -9.116 -10.153 6.182 1.00 0.00 N ATOM 0 H ARG A 97 -4.574 -7.702 4.214 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.550 -7.643 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.775 -9.590 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.688 -9.844 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.407 -7.654 7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.524 -7.446 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.590 -9.734 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.633 -8.326 8.564 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.644 -10.332 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.299 -8.013 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.898 -8.411 7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.703 -10.840 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.124 -10.000 6.181 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.358 -9.885 3.829 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.462 -10.843 3.190 1.00 0.00 C ATOM 1579 C LYS A 98 -0.215 -10.140 2.631 1.00 0.00 C ATOM 1580 O LYS A 98 0.916 -10.587 2.851 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.205 -11.602 2.089 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.422 -12.776 1.524 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.189 -13.475 0.415 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.413 -14.656 -0.134 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.132 -15.683 0.907 1.00 0.00 N ATOM 0 H LYS A 98 -3.236 -9.731 3.334 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.127 -11.560 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.153 -11.966 2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.442 -10.911 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.464 -12.425 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.204 -13.487 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.152 -13.815 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.395 -12.768 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.977 -15.112 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.472 -14.304 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.801 -16.558 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.398 -15.330 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.001 -15.879 1.444 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.421 -9.039 1.915 1.00 0.00 N ATOM 1600 CA LEU A 99 0.690 -8.203 1.464 1.00 0.00 C ATOM 1601 C LEU A 99 1.458 -7.621 2.648 1.00 0.00 C ATOM 1602 O LEU A 99 2.641 -7.300 2.533 1.00 0.00 O ATOM 1603 CB LEU A 99 0.208 -7.063 0.566 1.00 0.00 C ATOM 1604 CG LEU A 99 0.304 -7.277 -0.953 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.864 -6.031 -1.597 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.185 -8.456 -1.324 1.00 0.00 C ATOM 0 H LEU A 99 -1.343 -8.704 1.635 1.00 0.00 H new ATOM 0 HA LEU A 99 1.354 -8.847 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.833 -6.856 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.779 -6.170 0.818 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.703 -7.489 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.934 -6.178 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.207 -5.187 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.856 -5.827 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.216 -8.560 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.194 -8.289 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.779 -9.367 -0.884 1.00 0.00 H new ATOM 1618 N GLN A 100 0.786 -7.467 3.781 1.00 0.00 N ATOM 1619 CA GLN A 100 1.465 -7.050 4.996 1.00 0.00 C ATOM 1620 C GLN A 100 2.470 -8.117 5.395 1.00 0.00 C ATOM 1621 O GLN A 100 3.586 -7.808 5.782 1.00 0.00 O ATOM 1622 CB GLN A 100 0.473 -6.824 6.141 1.00 0.00 C ATOM 1623 CG GLN A 100 1.102 -6.227 7.391 1.00 0.00 C ATOM 1624 CD GLN A 100 1.600 -4.812 7.177 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.751 -4.594 6.811 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.733 -3.842 7.411 1.00 0.00 N ATOM 0 H GLN A 100 -0.217 -7.623 3.882 1.00 0.00 H new ATOM 0 HA GLN A 100 1.974 -6.106 4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.322 -6.164 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.008 -7.775 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.370 -6.232 8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.933 -6.856 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.215 -4.067 7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.012 -2.868 7.289 1.00 0.00 H new ATOM 1635 N ASP A 101 2.069 -9.378 5.269 1.00 0.00 N ATOM 1636 CA ASP A 101 2.928 -10.500 5.635 1.00 0.00 C ATOM 1637 C ASP A 101 4.241 -10.454 4.865 1.00 0.00 C ATOM 1638 O ASP A 101 5.316 -10.549 5.454 1.00 0.00 O ATOM 1639 CB ASP A 101 2.219 -11.833 5.379 1.00 0.00 C ATOM 1640 CG ASP A 101 3.074 -13.031 5.753 1.00 0.00 C ATOM 1641 OD1 ASP A 101 2.966 -13.508 6.904 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.846 -13.512 4.895 1.00 0.00 O ATOM 0 H ASP A 101 1.152 -9.650 4.915 1.00 0.00 H new ATOM 0 HA ASP A 101 3.146 -10.417 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.291 -11.862 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.948 -11.900 4.325 1.00 0.00 H new ATOM 1647 N VAL A 102 4.162 -10.295 3.549 1.00 0.00 N ATOM 1648 CA VAL A 102 5.377 -10.209 2.747 1.00 0.00 C ATOM 1649 C VAL A 102 6.205 -8.981 3.127 1.00 0.00 C ATOM 1650 O VAL A 102 7.344 -9.124 3.564 1.00 0.00 O ATOM 1651 CB VAL A 102 5.098 -10.246 1.220 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.956 -9.348 0.831 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.334 -9.876 0.419 1.00 0.00 C ATOM 0 H VAL A 102 3.291 -10.224 3.024 1.00 0.00 H new ATOM 0 HA VAL A 102 5.960 -11.101 2.976 1.00 0.00 H new ATOM 0 HB VAL A 102 4.820 -11.273 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.798 -9.407 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.051 -9.665 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.191 -8.320 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.102 -9.912 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.653 -8.869 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.135 -10.581 0.640 1.00 0.00 H new ATOM 1663 N PHE A 103 5.618 -7.793 3.015 1.00 0.00 N ATOM 1664 CA PHE A 103 6.333 -6.544 3.308 1.00 0.00 C ATOM 1665 C PHE A 103 6.918 -6.523 4.729 1.00 0.00 C ATOM 1666 O PHE A 103 8.067 -6.120 4.924 1.00 0.00 O ATOM 1667 CB PHE A 103 5.420 -5.326 3.075 1.00 0.00 C ATOM 1668 CG PHE A 103 5.823 -4.101 3.872 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.056 -3.501 3.659 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.982 -3.561 4.845 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.446 -2.400 4.395 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.371 -2.456 5.577 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.603 -1.877 5.354 1.00 0.00 C ATOM 0 H PHE A 103 4.649 -7.664 2.724 1.00 0.00 H new ATOM 0 HA PHE A 103 7.174 -6.489 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.426 -5.076 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.396 -5.596 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.720 -3.901 2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.017 -4.011 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.411 -1.948 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.709 -2.045 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.907 -1.015 5.929 1.00 0.00 H new ATOM 1683 N GLU A 104 6.155 -6.997 5.706 1.00 0.00 N ATOM 1684 CA GLU A 104 6.547 -6.912 7.092 1.00 0.00 C ATOM 1685 C GLU A 104 7.753 -7.808 7.355 1.00 0.00 C ATOM 1686 O GLU A 104 8.728 -7.391 7.984 1.00 0.00 O ATOM 1687 CB GLU A 104 5.347 -7.299 7.961 1.00 0.00 C ATOM 1688 CG GLU A 104 5.696 -7.681 9.372 1.00 0.00 C ATOM 1689 CD GLU A 104 6.228 -6.522 10.186 1.00 0.00 C ATOM 1690 OE1 GLU A 104 5.612 -5.433 10.156 1.00 0.00 O ATOM 1691 OE2 GLU A 104 7.253 -6.693 10.870 1.00 0.00 O ATOM 0 H GLU A 104 5.253 -7.448 5.553 1.00 0.00 H new ATOM 0 HA GLU A 104 6.847 -5.894 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.649 -6.463 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.828 -8.134 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.810 -8.085 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.441 -8.476 9.353 1.00 0.00 H new ATOM 1698 N PHE A 105 7.706 -9.024 6.832 1.00 0.00 N ATOM 1699 CA PHE A 105 8.803 -9.963 7.004 1.00 0.00 C ATOM 1700 C PHE A 105 9.988 -9.594 6.114 1.00 0.00 C ATOM 1701 O PHE A 105 11.126 -9.969 6.404 1.00 0.00 O ATOM 1702 CB PHE A 105 8.341 -11.394 6.731 1.00 0.00 C ATOM 1703 CG PHE A 105 7.542 -11.988 7.858 1.00 0.00 C ATOM 1704 CD1 PHE A 105 6.171 -11.807 7.931 1.00 0.00 C ATOM 1705 CD2 PHE A 105 8.167 -12.728 8.846 1.00 0.00 C ATOM 1706 CE1 PHE A 105 5.439 -12.352 8.966 1.00 0.00 C ATOM 1707 CE2 PHE A 105 7.439 -13.277 9.885 1.00 0.00 C ATOM 1708 CZ PHE A 105 6.074 -13.088 9.945 1.00 0.00 C ATOM 0 H PHE A 105 6.922 -9.383 6.287 1.00 0.00 H new ATOM 0 HA PHE A 105 9.134 -9.905 8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.739 -11.407 5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.213 -12.020 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.668 -11.232 7.168 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.236 -12.878 8.805 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.370 -12.203 9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.939 -13.854 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.504 -13.515 10.757 1.00 0.00 H new ATOM 1718 N ARG A 106 9.724 -8.861 5.035 1.00 0.00 N ATOM 1719 CA ARG A 106 10.791 -8.351 4.186 1.00 0.00 C ATOM 1720 C ARG A 106 11.592 -7.302 4.938 1.00 0.00 C ATOM 1721 O ARG A 106 12.820 -7.356 4.977 1.00 0.00 O ATOM 1722 CB ARG A 106 10.234 -7.746 2.894 1.00 0.00 C ATOM 1723 CG ARG A 106 9.715 -8.765 1.895 1.00 0.00 C ATOM 1724 CD ARG A 106 10.822 -9.679 1.408 1.00 0.00 C ATOM 1725 NE ARG A 106 10.355 -10.590 0.371 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.823 -11.820 0.183 1.00 0.00 C ATOM 1727 NH1 ARG A 106 11.763 -12.307 0.981 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.356 -12.555 -0.814 1.00 0.00 N ATOM 0 H ARG A 106 8.784 -8.609 4.731 1.00 0.00 H new ATOM 0 HA ARG A 106 11.438 -9.187 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.426 -7.060 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.016 -7.155 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.927 -9.360 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.268 -8.248 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.645 -9.078 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.214 -10.254 2.247 1.00 0.00 H new ATOM 0 HE ARG A 106 9.618 -10.261 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.130 -11.737 1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.119 -13.251 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.640 -12.177 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.712 -13.499 -0.962 1.00 0.00 H new ATOM 1742 N TYR A 107 10.885 -6.357 5.552 1.00 0.00 N ATOM 1743 CA TYR A 107 11.541 -5.298 6.311 1.00 0.00 C ATOM 1744 C TYR A 107 12.213 -5.882 7.552 1.00 0.00 C ATOM 1745 O TYR A 107 13.233 -5.378 8.019 1.00 0.00 O ATOM 1746 CB TYR A 107 10.540 -4.201 6.715 1.00 0.00 C ATOM 1747 CG TYR A 107 11.200 -2.963 7.291 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.573 -1.904 6.474 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.458 -2.861 8.653 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.185 -0.781 6.998 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.068 -1.741 9.183 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.431 -0.706 8.351 1.00 0.00 C ATOM 1753 OH TYR A 107 13.046 0.410 8.873 1.00 0.00 O ATOM 0 H TYR A 107 9.867 -6.303 5.539 1.00 0.00 H new ATOM 0 HA TYR A 107 12.299 -4.844 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.952 -3.917 5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.844 -4.607 7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.382 -1.959 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.176 -3.672 9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.469 0.034 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.259 -1.677 10.244 1.00 0.00 H new ATOM 0 HH TYR A 107 13.145 0.306 9.842 1.00 0.00 H new ATOM 1763 N ALA A 108 11.643 -6.963 8.070 1.00 0.00 N ATOM 1764 CA ALA A 108 12.175 -7.620 9.256 1.00 0.00 C ATOM 1765 C ALA A 108 13.518 -8.284 8.970 1.00 0.00 C ATOM 1766 O ALA A 108 14.421 -8.265 9.806 1.00 0.00 O ATOM 1767 CB ALA A 108 11.180 -8.639 9.779 1.00 0.00 C ATOM 0 H ALA A 108 10.808 -7.405 7.685 1.00 0.00 H new ATOM 0 HA ALA A 108 12.338 -6.859 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.588 -9.124 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.247 -8.138 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 108 10.989 -9.388 9.011 1.00 0.00 H new ATOM 1773 N LYS A 109 13.649 -8.873 7.789 1.00 0.00 N ATOM 1774 CA LYS A 109 14.908 -9.492 7.388 1.00 0.00 C ATOM 1775 C LYS A 109 15.817 -8.464 6.727 1.00 0.00 C ATOM 1776 O LYS A 109 16.969 -8.747 6.401 1.00 0.00 O ATOM 1777 CB LYS A 109 14.660 -10.682 6.456 1.00 0.00 C ATOM 1778 CG LYS A 109 14.050 -11.881 7.164 1.00 0.00 C ATOM 1779 CD LYS A 109 13.889 -13.070 6.231 1.00 0.00 C ATOM 1780 CE LYS A 109 12.758 -12.865 5.237 1.00 0.00 C ATOM 1781 NZ LYS A 109 11.438 -12.756 5.910 1.00 0.00 N ATOM 0 H LYS A 109 12.905 -8.936 7.095 1.00 0.00 H new ATOM 0 HA LYS A 109 15.406 -9.867 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.998 -10.370 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.604 -10.980 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.680 -12.164 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.077 -11.605 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.821 -13.235 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.697 -13.968 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.945 -11.961 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.739 -13.697 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.688 -13.054 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.426 -13.368 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.275 -11.770 6.197 1.00 0.00 H new ATOM 1795 N MET A 110 15.280 -7.271 6.529 1.00 0.00 N ATOM 1796 CA MET A 110 16.059 -6.142 6.044 1.00 0.00 C ATOM 1797 C MET A 110 16.964 -5.619 7.159 1.00 0.00 C ATOM 1798 O MET A 110 16.486 -5.274 8.243 1.00 0.00 O ATOM 1799 CB MET A 110 15.121 -5.037 5.521 1.00 0.00 C ATOM 1800 CG MET A 110 15.787 -3.691 5.279 1.00 0.00 C ATOM 1801 SD MET A 110 15.740 -2.629 6.734 1.00 0.00 S ATOM 1802 CE MET A 110 16.542 -1.165 6.099 1.00 0.00 C ATOM 0 H MET A 110 14.297 -7.058 6.699 1.00 0.00 H new ATOM 0 HA MET A 110 16.690 -6.466 5.217 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.670 -5.375 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.310 -4.901 6.236 1.00 0.00 H new ATOM 0 HG2 MET A 110 16.824 -3.850 4.982 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.291 -3.188 4.449 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.245 -0.301 6.693 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.623 -1.289 6.155 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.248 -1.010 5.061 1.00 0.00 H new ATOM 1812 N PRO A 111 18.287 -5.601 6.935 1.00 0.00 N ATOM 1813 CA PRO A 111 19.239 -5.132 7.934 1.00 0.00 C ATOM 1814 C PRO A 111 19.429 -3.620 7.914 1.00 0.00 C ATOM 1815 O PRO A 111 19.247 -2.971 6.880 1.00 0.00 O ATOM 1816 CB PRO A 111 20.529 -5.838 7.533 1.00 0.00 C ATOM 1817 CG PRO A 111 20.435 -5.995 6.053 1.00 0.00 C ATOM 1818 CD PRO A 111 18.966 -6.059 5.706 1.00 0.00 C ATOM 0 HA PRO A 111 18.904 -5.350 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.404 -5.252 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.621 -6.805 8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 111 20.915 -5.158 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.947 -6.901 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.728 -5.418 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.663 -7.071 5.437 1.00 0.00 H new ATOM 1826 N ASP A 112 19.790 -3.073 9.065 1.00 0.00 N ATOM 1827 CA ASP A 112 20.073 -1.651 9.185 1.00 0.00 C ATOM 1828 C ASP A 112 21.565 -1.410 9.031 1.00 0.00 C ATOM 1829 O ASP A 112 22.004 -1.029 7.929 1.00 0.00 O ATOM 1830 CB ASP A 112 19.604 -1.106 10.538 1.00 0.00 C ATOM 1831 CG ASP A 112 18.095 -1.068 10.678 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.513 -2.059 11.166 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.480 -0.040 10.324 1.00 0.00 O ATOM 1834 OXT ASP A 112 22.305 -1.624 10.015 1.00 0.00 O ATOM 0 H ASP A 112 19.894 -3.596 9.934 1.00 0.00 H new ATOM 0 HA ASP A 112 19.530 -1.129 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 112 20.021 -1.723 11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.000 -0.100 10.674 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -21.314 -4.239 6.693 1.00 0.00 N ATOM 1841 CA HIS B 281 -21.450 -2.911 7.337 1.00 0.00 C ATOM 1842 C HIS B 281 -20.959 -1.822 6.399 1.00 0.00 C ATOM 1843 O HIS B 281 -19.773 -1.764 6.083 1.00 0.00 O ATOM 1844 CB HIS B 281 -20.644 -2.853 8.641 1.00 0.00 C ATOM 1845 CG HIS B 281 -21.213 -3.678 9.753 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -20.603 -4.813 10.237 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -22.332 -3.512 10.493 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -21.319 -5.309 11.227 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -22.375 -4.538 11.402 1.00 0.00 N ATOM 0 HA HIS B 281 -22.504 -2.753 7.564 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -19.626 -3.187 8.441 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -20.580 -1.816 8.969 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -23.057 -2.719 10.388 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -21.081 -6.195 11.797 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -23.105 -4.682 12.100 1.00 0.00 H new ATOM 1860 N ASN B 282 -21.863 -0.954 5.963 1.00 0.00 N ATOM 1861 CA ASN B 282 -21.502 0.135 5.061 1.00 0.00 C ATOM 1862 C ASN B 282 -20.951 1.316 5.848 1.00 0.00 C ATOM 1863 O ASN B 282 -21.582 2.370 5.946 1.00 0.00 O ATOM 1864 CB ASN B 282 -22.704 0.575 4.216 1.00 0.00 C ATOM 1865 CG ASN B 282 -23.120 -0.472 3.200 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -22.623 -0.496 2.072 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -24.036 -1.345 3.587 1.00 0.00 N ATOM 0 H ASN B 282 -22.850 -0.982 6.218 1.00 0.00 H new ATOM 0 HA ASN B 282 -20.728 -0.231 4.386 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -23.546 0.792 4.874 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -22.458 1.502 3.697 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -24.354 -2.070 2.943 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -24.424 -1.293 4.529 1.00 0.00 H new ATOM 1874 N LEU B 283 -19.770 1.122 6.413 1.00 0.00 N ATOM 1875 CA LEU B 283 -19.110 2.145 7.210 1.00 0.00 C ATOM 1876 C LEU B 283 -18.474 3.195 6.306 1.00 0.00 C ATOM 1877 O LEU B 283 -17.305 3.078 5.941 1.00 0.00 O ATOM 1878 CB LEU B 283 -18.049 1.497 8.107 1.00 0.00 C ATOM 1879 CG LEU B 283 -17.261 2.454 9.011 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -18.186 3.174 9.979 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -16.180 1.695 9.767 1.00 0.00 C ATOM 0 H LEU B 283 -19.242 0.253 6.333 1.00 0.00 H new ATOM 0 HA LEU B 283 -19.851 2.639 7.838 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -18.538 0.753 8.736 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -17.342 0.962 7.473 1.00 0.00 H new ATOM 0 HG LEU B 283 -16.784 3.205 8.381 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -17.602 3.846 10.608 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -18.922 3.750 9.418 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -18.697 2.443 10.605 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -15.629 2.386 10.405 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -16.641 0.922 10.382 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -15.495 1.232 9.056 1.00 0.00 H new ATOM 1893 N LEU B 284 -19.257 4.213 5.947 1.00 0.00 N ATOM 1894 CA LEU B 284 -18.794 5.282 5.062 1.00 0.00 C ATOM 1895 C LEU B 284 -18.373 4.719 3.712 1.00 0.00 C ATOM 1896 O LEU B 284 -17.356 5.125 3.148 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.646 6.059 5.710 1.00 0.00 C ATOM 1898 CG LEU B 284 -18.057 6.927 6.899 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.835 7.393 7.666 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -18.866 8.121 6.418 1.00 0.00 C ATOM 0 H LEU B 284 -20.222 4.320 6.259 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.621 5.972 4.897 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -16.886 5.351 6.039 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.183 6.695 4.955 1.00 0.00 H new ATOM 0 HG LEU B 284 -18.675 6.329 7.569 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -17.148 8.010 8.509 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -16.285 6.527 8.034 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -16.193 7.978 7.007 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -19.154 8.733 7.272 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -18.263 8.716 5.732 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -19.761 7.771 5.904 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.200 3.799 3.199 1.00 0.00 N ATOM 1913 CA ARG B 285 -18.913 3.052 1.971 1.00 0.00 C ATOM 1914 C ARG B 285 -17.791 2.044 2.214 1.00 0.00 C ATOM 1915 O ARG B 285 -16.934 2.243 3.070 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.564 3.976 0.792 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.752 4.714 0.183 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.283 5.809 1.096 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.461 6.463 0.530 1.00 0.00 N ATOM 1920 CZ ARG B 285 -22.103 7.480 1.104 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -21.674 7.987 2.251 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -23.173 7.997 0.519 1.00 0.00 N ATOM 0 H ARG B 285 -20.092 3.552 3.628 1.00 0.00 H new ATOM 0 HA ARG B 285 -19.822 2.517 1.697 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.832 4.710 1.129 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.085 3.383 0.013 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -19.455 5.151 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.550 4.002 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.535 5.382 2.067 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.502 6.550 1.267 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.815 6.119 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.846 7.599 2.702 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -22.172 8.765 2.683 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.503 7.617 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.667 8.775 0.956 1.00 0.00 H new ATOM 1936 N ILE B 286 -17.806 0.949 1.470 1.00 0.00 N ATOM 1937 CA ILE B 286 -16.854 -0.129 1.715 1.00 0.00 C ATOM 1938 C ILE B 286 -16.008 -0.418 0.488 1.00 0.00 C ATOM 1939 O ILE B 286 -15.260 -1.394 0.472 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.539 -1.446 2.169 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.343 -2.106 1.031 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.432 -1.187 3.369 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.630 -1.395 0.667 1.00 0.00 C ATOM 0 H ILE B 286 -18.456 0.782 0.702 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.218 0.226 2.526 1.00 0.00 H new ATOM 0 HB ILE B 286 -16.750 -2.143 2.452 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -17.712 -2.162 0.144 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.579 -3.130 1.319 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.906 -2.119 3.677 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.833 -0.796 4.191 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.199 -0.460 3.102 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.126 -1.932 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -20.286 -1.362 1.537 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -19.405 -0.379 0.344 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.471 2.068 0.566 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.926 1.402 -0.310 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.406 1.216 -0.272 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.615 0.840 -1.294 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.064 0.950 -1.438 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.591 0.001 -2.504 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.067 0.220 -2.794 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.918 0.080 -1.545 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.414 0.279 -1.794 1.00 0.00 C HETATM 1964 N ALY B 287 -16.137 0.437 -0.530 1.00 0.00 N HETATM 1965 C ALY B 287 -15.971 -0.900 -2.595 1.00 0.00 C HETATM 1966 O ALY B 287 -16.231 -1.975 -2.049 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.919 2.189 -0.330 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.123 0.723 0.658 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.093 0.603 -1.117 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.103 0.299 -1.991 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.400 -0.499 -3.542 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.209 1.213 -3.220 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.328 1.975 -1.699 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.543 0.730 -0.484 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.436 -1.028 -2.180 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.019 0.136 -3.422 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.553 1.192 -2.373 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.582 0.806 -0.804 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.759 -0.910 -1.117 1.00 0.00 H new HETATM 0 H2 ALY B 287 -17.147 0.579 -0.535 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.141 -0.708 -3.896 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.685 -1.759 -4.753 1.00 0.00 C ATOM 1983 C GLN B 288 -15.595 -2.738 -5.187 1.00 0.00 C ATOM 1984 O GLN B 288 -15.419 -3.012 -6.373 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.375 -1.158 -5.979 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.551 -0.263 -5.630 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.344 0.179 -6.847 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -20.551 0.404 -6.761 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -18.682 0.309 -7.985 1.00 0.00 N ATOM 0 H GLN B 288 -15.912 0.160 -4.381 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.425 -2.309 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.647 -0.583 -6.551 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.721 -1.965 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -19.213 -0.793 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.186 0.618 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -17.681 0.114 -8.018 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -19.172 0.605 -8.829 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.866 -3.260 -4.213 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.850 -4.275 -4.464 1.00 0.00 C ATOM 2000 C PHE B 289 -14.364 -5.643 -4.044 1.00 0.00 C ATOM 2001 O PHE B 289 -13.667 -6.398 -3.366 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.560 -3.964 -3.700 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.632 -2.994 -4.377 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.071 -2.148 -5.383 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.307 -2.932 -3.989 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.200 -1.258 -5.985 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.432 -2.048 -4.583 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.878 -1.207 -5.583 1.00 0.00 C ATOM 0 H PHE B 289 -14.959 -2.996 -3.232 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.633 -4.275 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.824 -3.566 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.023 -4.897 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.103 -2.184 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.951 -3.587 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.552 -0.603 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.400 -2.013 -4.267 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.196 -0.511 -6.050 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.589 -5.956 -4.441 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.210 -7.226 -4.083 1.00 0.00 C ATOM 2020 C LEU B 290 -15.806 -8.305 -5.081 1.00 0.00 C ATOM 2021 O LEU B 290 -16.661 -8.999 -5.641 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.735 -7.078 -4.055 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.272 -5.961 -3.156 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -19.778 -5.832 -3.310 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -17.911 -6.220 -1.701 1.00 0.00 C ATOM 0 H LEU B 290 -16.175 -5.347 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.868 -7.518 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.084 -6.901 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.168 -8.023 -3.729 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.808 -5.024 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -20.143 -5.034 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -20.019 -5.598 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -20.254 -6.772 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.302 -5.414 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -18.345 -7.168 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -16.827 -6.264 -1.597 1.00 0.00 H new ATOM 2037 N GLN B 291 -14.492 -8.426 -5.293 1.00 0.00 N ATOM 2038 CA GLN B 291 -13.908 -9.330 -6.290 1.00 0.00 C ATOM 2039 C GLN B 291 -14.192 -8.832 -7.707 1.00 0.00 C ATOM 2040 O GLN B 291 -13.277 -8.665 -8.514 1.00 0.00 O ATOM 2041 CB GLN B 291 -14.418 -10.764 -6.117 1.00 0.00 C ATOM 2042 CG GLN B 291 -13.776 -11.752 -7.076 1.00 0.00 C ATOM 2043 CD GLN B 291 -14.353 -13.144 -6.953 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -15.523 -13.317 -6.614 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -13.538 -14.147 -7.230 1.00 0.00 N ATOM 0 H GLN B 291 -13.796 -7.893 -4.772 1.00 0.00 H new ATOM 0 HA GLN B 291 -12.830 -9.337 -6.132 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -14.230 -11.088 -5.093 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -15.498 -10.778 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -13.908 -11.398 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -12.703 -11.790 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -12.575 -13.960 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -13.873 -15.108 -7.166 1.00 0.00 H new ATOM 2054 N SER B 292 -15.460 -8.603 -8.004 1.00 0.00 N ATOM 2055 CA SER B 292 -15.875 -8.070 -9.285 1.00 0.00 C ATOM 2056 C SER B 292 -17.159 -7.264 -9.113 1.00 0.00 C ATOM 2057 O SER B 292 -17.074 -6.021 -8.998 1.00 0.00 O ATOM 2058 CB SER B 292 -16.076 -9.202 -10.296 1.00 0.00 C ATOM 2059 OG SER B 292 -14.864 -9.914 -10.511 1.00 0.00 O ATOM 2060 OXT SER B 292 -18.245 -7.877 -9.063 1.00 0.00 O ATOM 0 H SER B 292 -16.230 -8.783 -7.360 1.00 0.00 H new ATOM 0 HA SER B 292 -15.095 -7.412 -9.668 1.00 0.00 H new ATOM 0 HB2 SER B 292 -16.844 -9.885 -9.934 1.00 0.00 H new ATOM 0 HB3 SER B 292 -16.433 -8.792 -11.240 1.00 0.00 H new ATOM 0 HG SER B 292 -15.018 -10.633 -11.159 1.00 0.00 H new TER 2066 SER B 292