USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=34 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 H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= -0.0255 X(o=-0.028,f=-0.047) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc=-0.00291 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 154:sc= 1.62 (180deg=1.35) USER MOD Set 2.2: A 65 TYR OH : rot 33:sc= -0.286 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.944 K(o=2,f=-5.4!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.0251) USER MOD Set 4.1: A 54 SER OG : rot -92:sc= 1.05 USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -1.26 X(o=-1.2,f=-0.78) USER MOD Set 5.2: A 25 TYR OH : rot -26:sc= 0.0234 USER MOD Set 6.1: A 10 CYS SG : rot -18:sc= -2.45! USER MOD Set 6.2: A 60 MET CE :methyl -151:sc= -1.96 (180deg=-0.648) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0319 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= -0.0598 (180deg=-0.311) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 6 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0551) USER MOD Single : A 9 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 40:sc= 0.715 USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.121) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0166 (180deg=-0.187) USER MOD Single : A 30 TYR OH : rot -136:sc= 0.132 USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -1.69! (180deg=-3.26!) 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=-0.00031) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.0018) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.091) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 166:sc= -0.0773 (180deg=-0.624) USER MOD Single : A 62 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.033) USER MOD Single : A 78 MET CE :methyl 167:sc= -6.61! (180deg=-7.32!) USER MOD Single : A 80 SER OG : rot 93:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -2.99! C(o=-3!,f=-2.3!) USER MOD Single : A 82 CYS SG : rot -173:sc= -1.65! USER MOD Single : A 83 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0625) USER MOD Single : A 85 TYR OH : rot 15:sc= -0.875 USER MOD Single : A 86 ASN : amide:sc= -2.65 K(o=-2.7,f=-6.9!) USER MOD Single : A 90 HIS : no HE2:sc= 0.58 K(o=0.58,f=-7!) USER MOD Single : A 95 MET CE :methyl 145:sc= -3.18! (180deg=-4.3!) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 0.0481 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.053) USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= -0.0417 (180deg=-0.288) USER MOD Single : A 110 MET CE :methyl 156:sc= -1.2 (180deg=-3.12!) USER MOD Single : B 281 HIS : no HD1:sc=-0.00873 X(o=-0.0087,f=-0.32) USER MOD Single : B 282 ASN : amide:sc= -0.0847 K(o=-0.085,f=-2.2!) USER MOD Single : B 288 GLN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : B 291 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.82) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.832 7.183 -2.935 1.00 0.00 N ATOM 2 CA GLY A 1 25.200 7.830 -4.108 1.00 0.00 C ATOM 3 C GLY A 1 24.330 6.863 -4.872 1.00 0.00 C ATOM 4 O GLY A 1 24.646 5.674 -4.945 1.00 0.00 O ATOM 0 H1 GLY A 1 26.808 7.528 -2.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.291 7.414 -2.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.842 6.152 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.600 8.678 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.973 8.224 -4.767 1.00 0.00 H new ATOM 10 N LYS A 2 23.238 7.373 -5.440 1.00 0.00 N ATOM 11 CA LYS A 2 22.292 6.553 -6.190 1.00 0.00 C ATOM 12 C LYS A 2 21.653 5.508 -5.280 1.00 0.00 C ATOM 13 O LYS A 2 21.894 4.310 -5.435 1.00 0.00 O ATOM 14 CB LYS A 2 22.977 5.874 -7.384 1.00 0.00 C ATOM 15 CG LYS A 2 23.620 6.846 -8.359 1.00 0.00 C ATOM 16 CD LYS A 2 22.591 7.756 -9.011 1.00 0.00 C ATOM 17 CE LYS A 2 23.245 8.728 -9.978 1.00 0.00 C ATOM 18 NZ LYS A 2 24.000 8.026 -11.047 1.00 0.00 N ATOM 0 H LYS A 2 22.986 8.360 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 2 21.510 7.207 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.740 5.190 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.242 5.272 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.360 7.451 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.153 6.289 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.854 7.153 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.055 8.311 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.480 9.360 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.919 9.386 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.257 8.704 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.864 7.609 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.408 7.273 -11.453 1.00 0.00 H new ATOM 32 N LEU A 3 20.849 5.992 -4.330 1.00 0.00 N ATOM 33 CA LEU A 3 20.147 5.146 -3.363 1.00 0.00 C ATOM 34 C LEU A 3 21.098 4.595 -2.308 1.00 0.00 C ATOM 35 O LEU A 3 22.033 3.850 -2.611 1.00 0.00 O ATOM 36 CB LEU A 3 19.401 3.995 -4.055 1.00 0.00 C ATOM 37 CG LEU A 3 18.129 4.391 -4.808 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.645 3.236 -5.672 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.037 4.803 -3.831 1.00 0.00 C ATOM 0 H LEU A 3 20.666 6.988 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 3 19.412 5.779 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.082 3.514 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.140 3.251 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 3 18.361 5.240 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.740 3.532 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.418 2.973 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.430 2.374 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.140 5.081 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.810 3.969 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.378 5.654 -3.241 1.00 0.00 H new ATOM 51 N SER A 4 20.855 4.977 -1.065 1.00 0.00 N ATOM 52 CA SER A 4 21.589 4.423 0.062 1.00 0.00 C ATOM 53 C SER A 4 21.257 2.937 0.199 1.00 0.00 C ATOM 54 O SER A 4 20.281 2.472 -0.389 1.00 0.00 O ATOM 55 CB SER A 4 21.257 5.188 1.356 1.00 0.00 C ATOM 56 OG SER A 4 21.782 4.540 2.504 1.00 0.00 O ATOM 0 H SER A 4 20.153 5.671 -0.810 1.00 0.00 H new ATOM 0 HA SER A 4 22.659 4.531 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.660 6.199 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.176 5.282 1.455 1.00 0.00 H new ATOM 0 HG SER A 4 21.552 5.056 3.305 1.00 0.00 H new ATOM 62 N GLU A 5 22.058 2.193 0.949 1.00 0.00 N ATOM 63 CA GLU A 5 21.863 0.752 1.085 1.00 0.00 C ATOM 64 C GLU A 5 20.433 0.429 1.527 1.00 0.00 C ATOM 65 O GLU A 5 19.777 -0.450 0.962 1.00 0.00 O ATOM 66 CB GLU A 5 22.870 0.187 2.083 1.00 0.00 C ATOM 67 CG GLU A 5 22.842 -1.325 2.192 1.00 0.00 C ATOM 68 CD GLU A 5 23.947 -1.853 3.075 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.027 -2.185 2.549 1.00 0.00 O ATOM 70 OE2 GLU A 5 23.747 -1.922 4.303 1.00 0.00 O ATOM 0 H GLU A 5 22.851 2.562 1.474 1.00 0.00 H new ATOM 0 HA GLU A 5 22.024 0.288 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.872 0.502 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.674 0.616 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.878 -1.641 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 5 22.934 -1.761 1.197 1.00 0.00 H new ATOM 77 N GLN A 6 19.955 1.172 2.517 1.00 0.00 N ATOM 78 CA GLN A 6 18.596 1.012 3.035 1.00 0.00 C ATOM 79 C GLN A 6 17.575 1.302 1.937 1.00 0.00 C ATOM 80 O GLN A 6 16.577 0.597 1.796 1.00 0.00 O ATOM 81 CB GLN A 6 18.365 1.964 4.218 1.00 0.00 C ATOM 82 CG GLN A 6 19.121 1.616 5.505 1.00 0.00 C ATOM 83 CD GLN A 6 20.576 1.242 5.291 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.451 2.105 5.245 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.847 -0.049 5.173 1.00 0.00 N ATOM 0 H GLN A 6 20.494 1.901 2.984 1.00 0.00 H new ATOM 0 HA GLN A 6 18.473 -0.017 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.649 2.971 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.298 1.987 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.073 2.468 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.613 0.787 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.093 -0.734 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.810 -0.358 5.039 1.00 0.00 H new ATOM 94 N LEU A 7 17.852 2.329 1.139 1.00 0.00 N ATOM 95 CA LEU A 7 16.949 2.738 0.068 1.00 0.00 C ATOM 96 C LEU A 7 17.043 1.785 -1.125 1.00 0.00 C ATOM 97 O LEU A 7 16.115 1.665 -1.921 1.00 0.00 O ATOM 98 CB LEU A 7 17.249 4.177 -0.359 1.00 0.00 C ATOM 99 CG LEU A 7 16.935 5.227 0.701 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.397 6.598 0.246 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.449 5.244 1.008 1.00 0.00 C ATOM 0 H LEU A 7 18.697 2.895 1.214 1.00 0.00 H new ATOM 0 HA LEU A 7 15.928 2.695 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.303 4.252 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.676 4.403 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 7 17.474 4.967 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.164 7.334 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.473 6.581 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.886 6.866 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.243 5.999 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.893 5.480 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.143 4.265 1.378 1.00 0.00 H new ATOM 113 N LYS A 8 18.162 1.103 -1.249 1.00 0.00 N ATOM 114 CA LYS A 8 18.296 0.063 -2.252 1.00 0.00 C ATOM 115 C LYS A 8 17.502 -1.158 -1.820 1.00 0.00 C ATOM 116 O LYS A 8 16.919 -1.867 -2.645 1.00 0.00 O ATOM 117 CB LYS A 8 19.768 -0.290 -2.457 1.00 0.00 C ATOM 118 CG LYS A 8 20.011 -1.384 -3.489 1.00 0.00 C ATOM 119 CD LYS A 8 19.430 -1.028 -4.852 1.00 0.00 C ATOM 120 CE LYS A 8 20.050 0.240 -5.424 1.00 0.00 C ATOM 121 NZ LYS A 8 21.502 0.084 -5.704 1.00 0.00 N ATOM 0 H LYS A 8 18.990 1.248 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 8 17.902 0.422 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.306 0.608 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.190 -0.606 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.083 -1.558 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.568 -2.316 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.594 -1.855 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.352 -0.896 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.532 0.511 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.904 1.061 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.853 0.928 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.018 -0.031 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.652 -0.755 -6.300 1.00 0.00 H new ATOM 135 N HIS A 9 17.462 -1.383 -0.516 1.00 0.00 N ATOM 136 CA HIS A 9 16.689 -2.479 0.031 1.00 0.00 C ATOM 137 C HIS A 9 15.199 -2.168 -0.082 1.00 0.00 C ATOM 138 O HIS A 9 14.392 -3.063 -0.318 1.00 0.00 O ATOM 139 CB HIS A 9 17.068 -2.748 1.489 1.00 0.00 C ATOM 140 CG HIS A 9 16.956 -4.194 1.869 1.00 0.00 C ATOM 141 ND1 HIS A 9 18.040 -4.954 2.245 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.883 -5.020 1.923 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.643 -6.183 2.510 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.339 -6.252 2.325 1.00 0.00 N ATOM 0 H HIS A 9 17.955 -0.822 0.178 1.00 0.00 H new ATOM 0 HA HIS A 9 16.912 -3.378 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.091 -2.412 1.660 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.425 -2.156 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.861 -4.759 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.279 -6.997 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.764 -7.084 2.458 1.00 0.00 H new ATOM 153 N CYS A 10 14.838 -0.890 0.068 1.00 0.00 N ATOM 154 CA CYS A 10 13.442 -0.488 -0.058 1.00 0.00 C ATOM 155 C CYS A 10 12.993 -0.596 -1.508 1.00 0.00 C ATOM 156 O CYS A 10 11.831 -0.896 -1.788 1.00 0.00 O ATOM 157 CB CYS A 10 13.201 0.936 0.482 1.00 0.00 C ATOM 158 SG CYS A 10 13.780 2.288 -0.562 1.00 0.00 S ATOM 0 H CYS A 10 15.485 -0.129 0.274 1.00 0.00 H new ATOM 0 HA CYS A 10 12.846 -1.168 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.131 1.064 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.686 1.021 1.454 1.00 0.00 H new ATOM 0 HG CYS A 10 14.639 1.833 -1.425 1.00 0.00 H new ATOM 164 N ASN A 11 13.931 -0.381 -2.428 1.00 0.00 N ATOM 165 CA ASN A 11 13.646 -0.507 -3.852 1.00 0.00 C ATOM 166 C ASN A 11 13.306 -1.956 -4.187 1.00 0.00 C ATOM 167 O ASN A 11 12.387 -2.234 -4.957 1.00 0.00 O ATOM 168 CB ASN A 11 14.852 -0.046 -4.682 1.00 0.00 C ATOM 169 CG ASN A 11 14.583 -0.072 -6.178 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.449 0.101 -6.624 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.627 -0.286 -6.964 1.00 0.00 N ATOM 0 H ASN A 11 14.893 -0.119 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 11 12.793 0.126 -4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.126 0.966 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.706 -0.686 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.506 -0.312 -7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.552 -0.425 -6.557 1.00 0.00 H new ATOM 178 N GLY A 12 14.046 -2.876 -3.574 1.00 0.00 N ATOM 179 CA GLY A 12 13.843 -4.291 -3.825 1.00 0.00 C ATOM 180 C GLY A 12 12.551 -4.808 -3.225 1.00 0.00 C ATOM 181 O GLY A 12 11.850 -5.617 -3.837 1.00 0.00 O ATOM 0 H GLY A 12 14.786 -2.664 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.837 -4.469 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.681 -4.853 -3.414 1.00 0.00 H new ATOM 185 N ILE A 13 12.234 -4.341 -2.025 1.00 0.00 N ATOM 186 CA ILE A 13 11.000 -4.729 -1.355 1.00 0.00 C ATOM 187 C ILE A 13 9.785 -4.263 -2.152 1.00 0.00 C ATOM 188 O ILE A 13 8.864 -5.041 -2.411 1.00 0.00 O ATOM 189 CB ILE A 13 10.943 -4.155 0.076 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.050 -4.771 0.944 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.576 -4.385 0.698 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.181 -4.149 2.314 1.00 0.00 C ATOM 0 H ILE A 13 12.815 -3.692 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 13 10.984 -5.817 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 13 11.108 -3.079 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.855 -5.837 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.002 -4.675 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.561 -3.972 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.814 -3.894 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.371 -5.455 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.985 -4.641 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.409 -3.088 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.244 -4.268 2.859 1.00 0.00 H new ATOM 204 N LEU A 14 9.800 -2.995 -2.553 1.00 0.00 N ATOM 205 CA LEU A 14 8.726 -2.423 -3.346 1.00 0.00 C ATOM 206 C LEU A 14 8.547 -3.201 -4.645 1.00 0.00 C ATOM 207 O LEU A 14 7.431 -3.536 -5.032 1.00 0.00 O ATOM 208 CB LEU A 14 9.043 -0.961 -3.659 1.00 0.00 C ATOM 209 CG LEU A 14 7.843 -0.034 -3.670 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.315 1.403 -3.636 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.976 -0.271 -4.892 1.00 0.00 C ATOM 0 H LEU A 14 10.553 -2.342 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 14 7.799 -2.482 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.760 -0.595 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.531 -0.911 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 14 7.238 -0.241 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.453 2.070 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.897 1.573 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.936 1.603 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.124 0.409 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.561 -0.091 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.619 -1.301 -4.890 1.00 0.00 H new ATOM 223 N LYS A 15 9.664 -3.503 -5.294 1.00 0.00 N ATOM 224 CA LYS A 15 9.670 -4.214 -6.549 1.00 0.00 C ATOM 225 C LYS A 15 8.990 -5.572 -6.413 1.00 0.00 C ATOM 226 O LYS A 15 8.277 -6.024 -7.307 1.00 0.00 O ATOM 227 CB LYS A 15 11.120 -4.377 -6.994 1.00 0.00 C ATOM 228 CG LYS A 15 11.351 -5.589 -7.855 1.00 0.00 C ATOM 229 CD LYS A 15 10.942 -5.355 -9.296 1.00 0.00 C ATOM 230 CE LYS A 15 11.557 -6.403 -10.200 1.00 0.00 C ATOM 231 NZ LYS A 15 10.986 -6.367 -11.571 1.00 0.00 N ATOM 0 H LYS A 15 10.594 -3.256 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 15 9.111 -3.650 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.425 -3.487 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.757 -4.441 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.405 -5.863 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.789 -6.431 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.856 -5.385 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.259 -4.362 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.635 -6.247 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.398 -7.391 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.436 -7.101 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.962 -6.541 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.160 -5.433 -11.995 1.00 0.00 H new ATOM 245 N GLU A 16 9.207 -6.203 -5.277 1.00 0.00 N ATOM 246 CA GLU A 16 8.681 -7.542 -5.031 1.00 0.00 C ATOM 247 C GLU A 16 7.171 -7.509 -4.831 1.00 0.00 C ATOM 248 O GLU A 16 6.451 -8.362 -5.351 1.00 0.00 O ATOM 249 CB GLU A 16 9.367 -8.185 -3.815 1.00 0.00 C ATOM 250 CG GLU A 16 8.824 -9.564 -3.435 1.00 0.00 C ATOM 251 CD GLU A 16 9.300 -10.018 -2.076 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.489 -9.810 -1.765 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.504 -10.628 -1.337 1.00 0.00 O ATOM 0 H GLU A 16 9.745 -5.813 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 16 8.896 -8.149 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.434 -8.273 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.261 -7.518 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.734 -9.537 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.132 -10.292 -4.186 1.00 0.00 H new ATOM 260 N LEU A 17 6.693 -6.519 -4.091 1.00 0.00 N ATOM 261 CA LEU A 17 5.255 -6.337 -3.899 1.00 0.00 C ATOM 262 C LEU A 17 4.607 -5.971 -5.238 1.00 0.00 C ATOM 263 O LEU A 17 3.412 -6.177 -5.447 1.00 0.00 O ATOM 264 CB LEU A 17 4.999 -5.245 -2.847 1.00 0.00 C ATOM 265 CG LEU A 17 5.595 -5.505 -1.460 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.782 -4.192 -0.728 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.698 -6.424 -0.641 1.00 0.00 C ATOM 0 H LEU A 17 7.274 -5.830 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 17 4.812 -7.265 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.399 -4.303 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.922 -5.114 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 17 6.560 -5.994 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.206 -4.382 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.457 -3.552 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.818 -3.696 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.146 -6.591 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.719 -5.962 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.587 -7.378 -1.157 1.00 0.00 H new ATOM 279 N LEU A 18 5.426 -5.453 -6.150 1.00 0.00 N ATOM 280 CA LEU A 18 4.977 -5.085 -7.492 1.00 0.00 C ATOM 281 C LEU A 18 5.159 -6.228 -8.490 1.00 0.00 C ATOM 282 O LEU A 18 4.698 -6.147 -9.629 1.00 0.00 O ATOM 283 CB LEU A 18 5.755 -3.879 -7.991 1.00 0.00 C ATOM 284 CG LEU A 18 5.456 -2.570 -7.277 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.341 -1.475 -7.831 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.994 -2.193 -7.412 1.00 0.00 C ATOM 0 H LEU A 18 6.416 -5.277 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 18 3.915 -4.852 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.820 -4.090 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.549 -3.749 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 18 5.666 -2.698 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.125 -0.538 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.387 -1.740 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.149 -1.357 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.811 -1.253 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.744 -2.078 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.374 -2.976 -6.975 1.00 0.00 H new ATOM 298 N SER A 19 5.870 -7.261 -8.079 1.00 0.00 N ATOM 299 CA SER A 19 6.090 -8.427 -8.927 1.00 0.00 C ATOM 300 C SER A 19 4.796 -9.222 -9.108 1.00 0.00 C ATOM 301 O SER A 19 3.936 -9.255 -8.221 1.00 0.00 O ATOM 302 CB SER A 19 7.178 -9.316 -8.322 1.00 0.00 C ATOM 303 OG SER A 19 8.399 -8.606 -8.186 1.00 0.00 O ATOM 0 H SER A 19 6.308 -7.320 -7.160 1.00 0.00 H new ATOM 0 HA SER A 19 6.416 -8.082 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.854 -9.680 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.331 -10.191 -8.954 1.00 0.00 H new ATOM 0 HG SER A 19 8.214 -7.693 -7.882 1.00 0.00 H new ATOM 309 N LYS A 20 4.684 -9.876 -10.267 1.00 0.00 N ATOM 310 CA LYS A 20 3.473 -10.596 -10.663 1.00 0.00 C ATOM 311 C LYS A 20 3.155 -11.721 -9.681 1.00 0.00 C ATOM 312 O LYS A 20 2.017 -12.187 -9.601 1.00 0.00 O ATOM 313 CB LYS A 20 3.644 -11.162 -12.083 1.00 0.00 C ATOM 314 CG LYS A 20 2.478 -10.853 -13.024 1.00 0.00 C ATOM 315 CD LYS A 20 1.158 -11.431 -12.530 1.00 0.00 C ATOM 316 CE LYS A 20 -0.013 -11.052 -13.438 1.00 0.00 C ATOM 317 NZ LYS A 20 0.186 -11.523 -14.836 1.00 0.00 N ATOM 0 H LYS A 20 5.433 -9.921 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 20 2.638 -9.895 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.561 -10.761 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.768 -12.243 -12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.380 -9.773 -13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.698 -11.254 -14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.236 -12.517 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.962 -11.074 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.933 -11.480 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.137 -9.969 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.685 -11.366 -15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.969 -10.995 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.413 -12.538 -14.831 1.00 0.00 H new ATOM 331 N LYS A 21 4.169 -12.147 -8.940 1.00 0.00 N ATOM 332 CA LYS A 21 4.006 -13.140 -7.889 1.00 0.00 C ATOM 333 C LYS A 21 2.997 -12.676 -6.844 1.00 0.00 C ATOM 334 O LYS A 21 2.231 -13.475 -6.303 1.00 0.00 O ATOM 335 CB LYS A 21 5.357 -13.417 -7.223 1.00 0.00 C ATOM 336 CG LYS A 21 5.250 -14.204 -5.930 1.00 0.00 C ATOM 337 CD LYS A 21 6.606 -14.459 -5.314 1.00 0.00 C ATOM 338 CE LYS A 21 6.491 -15.502 -4.226 1.00 0.00 C ATOM 339 NZ LYS A 21 6.290 -16.864 -4.783 1.00 0.00 N ATOM 0 H LYS A 21 5.127 -11.814 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 21 3.628 -14.057 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.990 -13.965 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.853 -12.468 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.626 -13.657 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.754 -15.155 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.305 -14.796 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.007 -13.533 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.393 -15.489 -3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.658 -15.252 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.517 -17.573 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.299 -16.976 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.913 -16.998 -5.605 1.00 0.00 H new ATOM 353 N HIS A 22 2.985 -11.379 -6.566 1.00 0.00 N ATOM 354 CA HIS A 22 2.103 -10.847 -5.539 1.00 0.00 C ATOM 355 C HIS A 22 0.955 -10.085 -6.169 1.00 0.00 C ATOM 356 O HIS A 22 -0.039 -9.823 -5.509 1.00 0.00 O ATOM 357 CB HIS A 22 2.864 -9.939 -4.555 1.00 0.00 C ATOM 358 CG HIS A 22 3.990 -10.638 -3.848 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.842 -11.273 -2.628 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.286 -10.805 -4.201 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.998 -11.796 -2.262 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.891 -11.527 -3.198 1.00 0.00 N ATOM 0 H HIS A 22 3.569 -10.684 -7.032 1.00 0.00 H new ATOM 0 HA HIS A 22 1.704 -11.692 -4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.262 -9.081 -5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.164 -9.551 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.757 -10.440 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.182 -12.349 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.871 -11.809 -3.180 1.00 0.00 H new ATOM 371 N ALA A 23 1.091 -9.762 -7.457 1.00 0.00 N ATOM 372 CA ALA A 23 0.096 -8.968 -8.184 1.00 0.00 C ATOM 373 C ALA A 23 -1.322 -9.491 -7.992 1.00 0.00 C ATOM 374 O ALA A 23 -2.270 -8.710 -7.931 1.00 0.00 O ATOM 375 CB ALA A 23 0.439 -8.937 -9.659 1.00 0.00 C ATOM 0 H ALA A 23 1.891 -10.042 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 23 0.126 -7.959 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.304 -8.345 -10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.424 -8.490 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.445 -9.953 -10.053 1.00 0.00 H new ATOM 381 N ALA A 24 -1.447 -10.807 -7.872 1.00 0.00 N ATOM 382 CA ALA A 24 -2.740 -11.459 -7.684 1.00 0.00 C ATOM 383 C ALA A 24 -3.473 -10.935 -6.444 1.00 0.00 C ATOM 384 O ALA A 24 -4.694 -11.057 -6.336 1.00 0.00 O ATOM 385 CB ALA A 24 -2.534 -12.959 -7.581 1.00 0.00 C ATOM 0 H ALA A 24 -0.658 -11.452 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.366 -11.228 -8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.497 -13.450 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.070 -13.326 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.887 -13.180 -6.732 1.00 0.00 H new ATOM 391 N TYR A 25 -2.723 -10.360 -5.512 1.00 0.00 N ATOM 392 CA TYR A 25 -3.300 -9.782 -4.304 1.00 0.00 C ATOM 393 C TYR A 25 -2.570 -8.492 -3.911 1.00 0.00 C ATOM 394 O TYR A 25 -2.641 -8.050 -2.768 1.00 0.00 O ATOM 395 CB TYR A 25 -3.281 -10.809 -3.158 1.00 0.00 C ATOM 396 CG TYR A 25 -1.994 -11.597 -3.028 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.858 -11.040 -2.460 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.928 -12.916 -3.463 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.306 -11.772 -2.336 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.765 -13.651 -3.342 1.00 0.00 C ATOM 401 CZ TYR A 25 0.349 -13.073 -2.778 1.00 0.00 C ATOM 402 OH TYR A 25 1.513 -13.795 -2.649 1.00 0.00 O ATOM 0 H TYR A 25 -1.708 -10.281 -5.570 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.339 -9.521 -4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.467 -10.287 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.105 -11.508 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.884 -10.019 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.802 -13.374 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.182 -11.323 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.730 -14.673 -3.688 1.00 0.00 H new ATOM 0 HH TYR A 25 2.278 -13.182 -2.630 1.00 0.00 H new ATOM 412 N ALA A 26 -1.873 -7.895 -4.877 1.00 0.00 N ATOM 413 CA ALA A 26 -1.148 -6.643 -4.648 1.00 0.00 C ATOM 414 C ALA A 26 -1.664 -5.521 -5.551 1.00 0.00 C ATOM 415 O ALA A 26 -1.388 -4.339 -5.311 1.00 0.00 O ATOM 416 CB ALA A 26 0.349 -6.836 -4.879 1.00 0.00 C ATOM 0 H ALA A 26 -1.794 -8.258 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.319 -6.357 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.869 -5.894 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.728 -7.593 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.520 -7.159 -5.906 1.00 0.00 H new ATOM 422 N TRP A 27 -2.431 -5.885 -6.580 1.00 0.00 N ATOM 423 CA TRP A 27 -2.893 -4.913 -7.573 1.00 0.00 C ATOM 424 C TRP A 27 -3.645 -3.706 -6.970 1.00 0.00 C ATOM 425 O TRP A 27 -3.497 -2.600 -7.489 1.00 0.00 O ATOM 426 CB TRP A 27 -3.747 -5.583 -8.672 1.00 0.00 C ATOM 427 CG TRP A 27 -4.978 -6.294 -8.181 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.082 -7.616 -7.862 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.285 -5.730 -7.964 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.356 -7.906 -7.448 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.114 -6.770 -7.504 1.00 0.00 C ATOM 432 CE3 TRP A 27 -6.834 -4.450 -8.106 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.455 -6.571 -7.186 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.163 -4.257 -7.791 1.00 0.00 C ATOM 435 CH2 TRP A 27 -8.961 -5.313 -7.337 1.00 0.00 C ATOM 0 H TRP A 27 -2.744 -6.841 -6.748 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.983 -4.516 -8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.049 -4.821 -9.390 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.124 -6.298 -9.209 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.276 -8.332 -7.926 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.686 -8.823 -7.146 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.227 -3.628 -8.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.072 -7.383 -6.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.595 -3.273 -7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -9.999 -5.128 -7.101 1.00 0.00 H new ATOM 446 N PRO A 28 -4.461 -3.862 -5.884 1.00 0.00 N ATOM 447 CA PRO A 28 -5.175 -2.721 -5.285 1.00 0.00 C ATOM 448 C PRO A 28 -4.243 -1.590 -4.855 1.00 0.00 C ATOM 449 O PRO A 28 -4.664 -0.438 -4.749 1.00 0.00 O ATOM 450 CB PRO A 28 -5.875 -3.297 -4.043 1.00 0.00 C ATOM 451 CG PRO A 28 -5.338 -4.683 -3.865 1.00 0.00 C ATOM 452 CD PRO A 28 -4.786 -5.125 -5.191 1.00 0.00 C ATOM 0 HA PRO A 28 -5.858 -2.285 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.673 -2.685 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.956 -3.313 -4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.560 -4.698 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.125 -5.360 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.902 -5.750 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.515 -5.711 -5.751 1.00 0.00 H new ATOM 460 N PHE A 29 -2.981 -1.924 -4.615 1.00 0.00 N ATOM 461 CA PHE A 29 -2.029 -0.957 -4.074 1.00 0.00 C ATOM 462 C PHE A 29 -1.049 -0.495 -5.140 1.00 0.00 C ATOM 463 O PHE A 29 -0.248 0.412 -4.904 1.00 0.00 O ATOM 464 CB PHE A 29 -1.263 -1.554 -2.891 1.00 0.00 C ATOM 465 CG PHE A 29 -2.077 -2.536 -2.101 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.736 -3.880 -2.082 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.200 -2.122 -1.402 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.502 -4.788 -1.388 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.965 -3.028 -0.701 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.617 -4.362 -0.696 1.00 0.00 C ATOM 0 H PHE A 29 -2.593 -2.852 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.598 -0.094 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.364 -2.049 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.936 -0.749 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.861 -4.217 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.478 -1.078 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.231 -5.833 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.836 -2.694 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.218 -5.074 -0.150 1.00 0.00 H new ATOM 480 N TYR A 30 -1.088 -1.143 -6.304 1.00 0.00 N ATOM 481 CA TYR A 30 -0.276 -0.709 -7.438 1.00 0.00 C ATOM 482 C TYR A 30 -0.533 0.763 -7.750 1.00 0.00 C ATOM 483 O TYR A 30 0.401 1.555 -7.840 1.00 0.00 O ATOM 484 CB TYR A 30 -0.560 -1.569 -8.680 1.00 0.00 C ATOM 485 CG TYR A 30 0.145 -2.909 -8.671 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.512 -3.500 -7.478 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.451 -3.576 -9.851 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.167 -4.710 -7.449 1.00 0.00 C ATOM 489 CE2 TYR A 30 1.104 -4.793 -9.830 1.00 0.00 C ATOM 490 CZ TYR A 30 1.460 -5.354 -8.623 1.00 0.00 C ATOM 491 OH TYR A 30 2.109 -6.562 -8.591 1.00 0.00 O ATOM 0 H TYR A 30 -1.668 -1.963 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 30 0.772 -0.833 -7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.635 -1.735 -8.757 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.258 -1.016 -9.570 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.280 -3.002 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.174 -3.137 -10.798 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.449 -5.151 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.334 -5.302 -10.754 1.00 0.00 H new ATOM 0 HH TYR A 30 2.813 -6.573 -9.273 1.00 0.00 H new ATOM 501 N LYS A 31 -1.802 1.122 -7.891 1.00 0.00 N ATOM 502 CA LYS A 31 -2.187 2.481 -8.237 1.00 0.00 C ATOM 503 C LYS A 31 -3.420 2.907 -7.446 1.00 0.00 C ATOM 504 O LYS A 31 -4.202 2.057 -7.013 1.00 0.00 O ATOM 505 CB LYS A 31 -2.462 2.563 -9.737 1.00 0.00 C ATOM 506 CG LYS A 31 -1.202 2.514 -10.588 1.00 0.00 C ATOM 507 CD LYS A 31 -1.505 2.503 -12.080 1.00 0.00 C ATOM 508 CE LYS A 31 -1.897 1.117 -12.591 1.00 0.00 C ATOM 509 NZ LYS A 31 -3.179 0.622 -12.018 1.00 0.00 N ATOM 0 H LYS A 31 -2.588 0.483 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.372 3.159 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.117 1.740 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.999 3.487 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.576 3.375 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.628 1.624 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.313 3.204 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.630 2.854 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.980 1.147 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.102 0.410 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.631 -0.031 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.991 0.123 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.813 1.427 -11.838 1.00 0.00 H new ATOM 523 N PRO A 32 -3.604 4.230 -7.259 1.00 0.00 N ATOM 524 CA PRO A 32 -4.709 4.795 -6.466 1.00 0.00 C ATOM 525 C PRO A 32 -6.074 4.284 -6.904 1.00 0.00 C ATOM 526 O PRO A 32 -6.340 4.129 -8.103 1.00 0.00 O ATOM 527 CB PRO A 32 -4.609 6.311 -6.721 1.00 0.00 C ATOM 528 CG PRO A 32 -3.684 6.459 -7.881 1.00 0.00 C ATOM 529 CD PRO A 32 -2.747 5.293 -7.805 1.00 0.00 C ATOM 0 HA PRO A 32 -4.623 4.515 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.587 6.737 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.225 6.832 -5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.234 6.459 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.140 7.402 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.348 5.029 -8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.894 5.499 -7.158 1.00 0.00 H new ATOM 537 N VAL A 33 -6.935 4.010 -5.925 1.00 0.00 N ATOM 538 CA VAL A 33 -8.294 3.574 -6.209 1.00 0.00 C ATOM 539 C VAL A 33 -9.011 4.647 -7.018 1.00 0.00 C ATOM 540 O VAL A 33 -8.792 5.844 -6.814 1.00 0.00 O ATOM 541 CB VAL A 33 -9.104 3.245 -4.917 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.199 2.725 -3.821 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.927 4.424 -4.422 1.00 0.00 C ATOM 0 H VAL A 33 -6.713 4.083 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.229 2.650 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.809 2.459 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.792 2.505 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.702 1.816 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.450 3.479 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.469 4.137 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.265 5.260 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.637 4.721 -5.193 1.00 0.00 H new ATOM 553 N ASP A 34 -9.847 4.223 -7.945 1.00 0.00 N ATOM 554 CA ASP A 34 -10.566 5.162 -8.797 1.00 0.00 C ATOM 555 C ASP A 34 -11.824 5.607 -8.084 1.00 0.00 C ATOM 556 O ASP A 34 -12.932 5.363 -8.549 1.00 0.00 O ATOM 557 CB ASP A 34 -10.910 4.537 -10.152 1.00 0.00 C ATOM 558 CG ASP A 34 -9.680 4.058 -10.890 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.377 2.847 -10.834 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.999 4.890 -11.519 1.00 0.00 O ATOM 0 H ASP A 34 -10.048 3.240 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.927 6.023 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.590 3.699 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.437 5.269 -10.764 1.00 0.00 H new ATOM 565 N ALA A 35 -11.623 6.265 -6.950 1.00 0.00 N ATOM 566 CA ALA A 35 -12.693 6.603 -6.022 1.00 0.00 C ATOM 567 C ALA A 35 -13.882 7.258 -6.714 1.00 0.00 C ATOM 568 O ALA A 35 -15.030 6.899 -6.459 1.00 0.00 O ATOM 569 CB ALA A 35 -12.153 7.501 -4.921 1.00 0.00 C ATOM 0 H ALA A 35 -10.703 6.582 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.059 5.672 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.957 7.752 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.360 6.981 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.754 8.415 -5.360 1.00 0.00 H new ATOM 575 N SER A 36 -13.601 8.189 -7.612 1.00 0.00 N ATOM 576 CA SER A 36 -14.643 8.912 -8.323 1.00 0.00 C ATOM 577 C SER A 36 -15.503 7.964 -9.166 1.00 0.00 C ATOM 578 O SER A 36 -16.723 8.112 -9.237 1.00 0.00 O ATOM 579 CB SER A 36 -14.005 9.982 -9.203 1.00 0.00 C ATOM 580 OG SER A 36 -13.141 10.808 -8.436 1.00 0.00 O ATOM 0 H SER A 36 -12.652 8.463 -7.867 1.00 0.00 H new ATOM 0 HA SER A 36 -15.299 9.386 -7.593 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.445 9.510 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.782 10.590 -9.667 1.00 0.00 H new ATOM 0 HG SER A 36 -12.739 11.488 -9.016 1.00 0.00 H new ATOM 586 N ALA A 37 -14.861 6.980 -9.786 1.00 0.00 N ATOM 587 CA ALA A 37 -15.563 5.994 -10.599 1.00 0.00 C ATOM 588 C ALA A 37 -16.161 4.900 -9.720 1.00 0.00 C ATOM 589 O ALA A 37 -17.166 4.276 -10.068 1.00 0.00 O ATOM 590 CB ALA A 37 -14.610 5.391 -11.617 1.00 0.00 C ATOM 0 H ALA A 37 -13.851 6.844 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.377 6.491 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.141 4.655 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.222 6.178 -12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.783 4.906 -11.098 1.00 0.00 H new ATOM 596 N LEU A 38 -15.538 4.693 -8.570 1.00 0.00 N ATOM 597 CA LEU A 38 -15.962 3.682 -7.611 1.00 0.00 C ATOM 598 C LEU A 38 -17.205 4.138 -6.846 1.00 0.00 C ATOM 599 O LEU A 38 -17.829 3.353 -6.127 1.00 0.00 O ATOM 600 CB LEU A 38 -14.806 3.388 -6.646 1.00 0.00 C ATOM 601 CG LEU A 38 -13.657 2.566 -7.238 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.394 2.711 -6.399 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.052 1.106 -7.342 1.00 0.00 C ATOM 0 H LEU A 38 -14.719 5.224 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.226 2.770 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.406 4.335 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.202 2.858 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.448 2.947 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.594 2.118 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.095 3.759 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.588 2.360 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.225 0.535 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.289 0.722 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.926 1.011 -7.987 1.00 0.00 H new ATOM 615 N GLY A 39 -17.568 5.405 -7.018 1.00 0.00 N ATOM 616 CA GLY A 39 -18.720 5.956 -6.326 1.00 0.00 C ATOM 617 C GLY A 39 -18.353 6.465 -4.951 1.00 0.00 C ATOM 618 O GLY A 39 -19.217 6.821 -4.150 1.00 0.00 O ATOM 0 H GLY A 39 -17.082 6.063 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.144 6.770 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.492 5.191 -6.237 1.00 0.00 H new ATOM 622 N LEU A 40 -17.060 6.496 -4.688 1.00 0.00 N ATOM 623 CA LEU A 40 -16.535 6.880 -3.396 1.00 0.00 C ATOM 624 C LEU A 40 -16.162 8.358 -3.396 1.00 0.00 C ATOM 625 O LEU A 40 -15.006 8.719 -3.604 1.00 0.00 O ATOM 626 CB LEU A 40 -15.301 6.032 -3.081 1.00 0.00 C ATOM 627 CG LEU A 40 -15.387 4.572 -3.539 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.172 3.792 -3.085 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.662 3.911 -3.048 1.00 0.00 C ATOM 0 H LEU A 40 -16.342 6.254 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.297 6.714 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.432 6.494 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.131 6.050 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.409 4.570 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.256 2.759 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.273 4.240 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.111 3.815 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.691 2.877 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.687 3.933 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.525 4.448 -3.442 1.00 0.00 H new ATOM 641 N HIS A 41 -17.147 9.207 -3.157 1.00 0.00 N ATOM 642 CA HIS A 41 -16.929 10.652 -3.149 1.00 0.00 C ATOM 643 C HIS A 41 -16.429 11.098 -1.783 1.00 0.00 C ATOM 644 O HIS A 41 -16.204 12.284 -1.545 1.00 0.00 O ATOM 645 CB HIS A 41 -18.227 11.405 -3.478 1.00 0.00 C ATOM 646 CG HIS A 41 -18.888 10.993 -4.766 1.00 0.00 C ATOM 647 ND1 HIS A 41 -18.639 11.625 -5.967 1.00 0.00 N ATOM 648 CD2 HIS A 41 -19.814 10.030 -5.040 1.00 0.00 C ATOM 649 CE1 HIS A 41 -19.373 11.077 -6.914 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.089 10.109 -6.381 1.00 0.00 N ATOM 0 H HIS A 41 -18.108 8.925 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.183 10.882 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -18.933 11.258 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.010 12.472 -3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.248 9.337 -4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -19.385 11.372 -7.953 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -20.744 9.512 -6.886 1.00 0.00 H new ATOM 659 N ASP A 42 -16.269 10.135 -0.889 1.00 0.00 N ATOM 660 CA ASP A 42 -15.840 10.413 0.475 1.00 0.00 C ATOM 661 C ASP A 42 -14.397 9.961 0.706 1.00 0.00 C ATOM 662 O ASP A 42 -13.900 9.995 1.828 1.00 0.00 O ATOM 663 CB ASP A 42 -16.760 9.698 1.470 1.00 0.00 C ATOM 664 CG ASP A 42 -18.166 10.264 1.508 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.952 9.989 0.577 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.500 10.972 2.482 1.00 0.00 O ATOM 0 H ASP A 42 -16.431 9.147 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.895 11.491 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.810 8.640 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.324 9.762 2.467 1.00 0.00 H new ATOM 671 N TYR A 43 -13.714 9.567 -0.361 1.00 0.00 N ATOM 672 CA TYR A 43 -12.416 8.909 -0.238 1.00 0.00 C ATOM 673 C TYR A 43 -11.343 9.865 0.275 1.00 0.00 C ATOM 674 O TYR A 43 -10.576 9.516 1.173 1.00 0.00 O ATOM 675 CB TYR A 43 -12.011 8.299 -1.589 1.00 0.00 C ATOM 676 CG TYR A 43 -10.671 7.588 -1.611 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.563 6.268 -1.205 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.524 8.226 -2.064 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.355 5.601 -1.243 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.310 7.566 -2.105 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.230 6.253 -1.693 1.00 0.00 C ATOM 682 OH TYR A 43 -7.022 5.594 -1.735 1.00 0.00 O ATOM 0 H TYR A 43 -14.035 9.691 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.508 8.111 0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.782 7.592 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.993 9.093 -2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.442 5.750 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.581 9.254 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.293 4.572 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.427 8.078 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.331 6.198 -2.079 1.00 0.00 H new ATOM 692 N HIS A 44 -11.305 11.075 -0.263 1.00 0.00 N ATOM 693 CA HIS A 44 -10.275 12.040 0.121 1.00 0.00 C ATOM 694 C HIS A 44 -10.655 12.779 1.403 1.00 0.00 C ATOM 695 O HIS A 44 -9.969 13.711 1.823 1.00 0.00 O ATOM 696 CB HIS A 44 -9.996 13.035 -1.013 1.00 0.00 C ATOM 697 CG HIS A 44 -9.283 12.428 -2.185 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.916 12.500 -2.358 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.755 11.733 -3.249 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.583 11.877 -3.475 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.680 11.401 -4.032 1.00 0.00 N ATOM 0 H HIS A 44 -11.967 11.414 -0.961 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.360 11.479 0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.941 13.459 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.399 13.859 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.788 11.486 -3.444 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.581 11.775 -3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.722 10.872 -4.903 1.00 0.00 H new ATOM 710 N ASP A 45 -11.762 12.375 2.010 1.00 0.00 N ATOM 711 CA ASP A 45 -12.166 12.919 3.303 1.00 0.00 C ATOM 712 C ASP A 45 -11.756 11.980 4.427 1.00 0.00 C ATOM 713 O ASP A 45 -11.238 12.415 5.454 1.00 0.00 O ATOM 714 CB ASP A 45 -13.675 13.160 3.358 1.00 0.00 C ATOM 715 CG ASP A 45 -14.119 14.285 2.447 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.023 15.460 2.863 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.566 14.009 1.313 1.00 0.00 O ATOM 0 H ASP A 45 -12.397 11.673 1.630 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.660 13.876 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.196 12.244 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.965 13.391 4.383 1.00 0.00 H new ATOM 722 N ILE A 46 -11.992 10.690 4.229 1.00 0.00 N ATOM 723 CA ILE A 46 -11.613 9.687 5.214 1.00 0.00 C ATOM 724 C ILE A 46 -10.107 9.478 5.178 1.00 0.00 C ATOM 725 O ILE A 46 -9.437 9.519 6.208 1.00 0.00 O ATOM 726 CB ILE A 46 -12.341 8.327 4.988 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.798 8.388 5.447 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.645 7.185 5.724 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.686 9.288 4.622 1.00 0.00 C ATOM 0 H ILE A 46 -12.444 10.314 3.395 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.917 10.058 6.192 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.306 8.137 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.212 7.380 5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.824 8.727 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.182 6.254 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.621 7.090 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.634 7.394 6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.699 9.266 5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.303 10.308 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.697 8.940 3.589 1.00 0.00 H new ATOM 741 N ILE A 47 -9.578 9.293 3.982 1.00 0.00 N ATOM 742 CA ILE A 47 -8.167 9.004 3.814 1.00 0.00 C ATOM 743 C ILE A 47 -7.354 10.291 3.712 1.00 0.00 C ATOM 744 O ILE A 47 -7.392 10.986 2.696 1.00 0.00 O ATOM 745 CB ILE A 47 -7.929 8.128 2.573 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.787 6.860 2.656 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.456 7.775 2.458 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.399 5.930 3.779 1.00 0.00 C ATOM 0 H ILE A 47 -10.107 9.338 3.111 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.835 8.454 4.695 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.219 8.684 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.831 7.147 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.715 6.322 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.298 7.154 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.869 8.689 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.142 7.228 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.052 5.057 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.365 5.611 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.499 6.449 4.732 1.00 0.00 H new ATOM 760 N LYS A 48 -6.635 10.604 4.782 1.00 0.00 N ATOM 761 CA LYS A 48 -5.796 11.791 4.827 1.00 0.00 C ATOM 762 C LYS A 48 -4.420 11.507 4.244 1.00 0.00 C ATOM 763 O LYS A 48 -3.723 12.413 3.789 1.00 0.00 O ATOM 764 CB LYS A 48 -5.660 12.283 6.263 1.00 0.00 C ATOM 765 CG LYS A 48 -6.939 12.888 6.807 1.00 0.00 C ATOM 766 CD LYS A 48 -7.298 14.176 6.085 1.00 0.00 C ATOM 767 CE LYS A 48 -8.757 14.529 6.275 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.143 14.582 7.711 1.00 0.00 N ATOM 0 H LYS A 48 -6.617 10.046 5.636 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.271 12.566 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.359 11.451 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.864 13.026 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.754 12.172 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.824 13.087 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.674 14.989 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.083 14.070 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.958 15.495 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.376 13.794 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.089 15.005 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.155 13.619 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.455 15.160 8.234 1.00 0.00 H new ATOM 782 N HIS A 49 -4.031 10.241 4.270 1.00 0.00 N ATOM 783 CA HIS A 49 -2.763 9.814 3.688 1.00 0.00 C ATOM 784 C HIS A 49 -2.971 8.762 2.595 1.00 0.00 C ATOM 785 O HIS A 49 -2.632 7.590 2.782 1.00 0.00 O ATOM 786 CB HIS A 49 -1.828 9.261 4.764 1.00 0.00 C ATOM 787 CG HIS A 49 -1.232 10.311 5.648 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.021 10.912 5.385 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.681 10.863 6.797 1.00 0.00 C ATOM 790 CE1 HIS A 49 0.250 11.784 6.334 1.00 0.00 C ATOM 791 NE2 HIS A 49 -0.740 11.775 7.204 1.00 0.00 N ATOM 0 H HIS A 49 -4.576 9.487 4.689 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.305 10.694 3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.379 8.551 5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.023 8.706 4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.607 10.630 7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.134 12.402 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.797 12.352 8.043 1.00 0.00 H new ATOM 800 N PRO A 50 -3.555 9.156 1.449 1.00 0.00 N ATOM 801 CA PRO A 50 -3.670 8.275 0.285 1.00 0.00 C ATOM 802 C PRO A 50 -2.312 8.029 -0.365 1.00 0.00 C ATOM 803 O PRO A 50 -1.720 8.933 -0.966 1.00 0.00 O ATOM 804 CB PRO A 50 -4.589 9.048 -0.666 1.00 0.00 C ATOM 805 CG PRO A 50 -4.414 10.474 -0.281 1.00 0.00 C ATOM 806 CD PRO A 50 -4.172 10.472 1.202 1.00 0.00 C ATOM 0 HA PRO A 50 -4.055 7.290 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.312 8.882 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.627 8.733 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.575 10.922 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.300 11.058 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.513 11.287 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.101 10.591 1.760 1.00 0.00 H new ATOM 814 N MET A 51 -1.811 6.816 -0.224 1.00 0.00 N ATOM 815 CA MET A 51 -0.520 6.455 -0.775 1.00 0.00 C ATOM 816 C MET A 51 -0.616 5.126 -1.508 1.00 0.00 C ATOM 817 O MET A 51 -1.421 4.272 -1.143 1.00 0.00 O ATOM 818 CB MET A 51 0.535 6.389 0.340 1.00 0.00 C ATOM 819 CG MET A 51 1.891 5.858 -0.117 1.00 0.00 C ATOM 820 SD MET A 51 2.535 6.746 -1.554 1.00 0.00 S ATOM 821 CE MET A 51 2.496 8.426 -0.949 1.00 0.00 C ATOM 0 H MET A 51 -2.283 6.060 0.271 1.00 0.00 H new ATOM 0 HA MET A 51 -0.214 7.219 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.669 7.387 0.758 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.160 5.755 1.143 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.604 5.937 0.704 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.800 4.799 -0.359 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.085 9.064 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.466 8.781 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.914 8.460 0.057 1.00 0.00 H new ATOM 831 N ASP A 52 0.211 4.964 -2.533 1.00 0.00 N ATOM 832 CA ASP A 52 0.197 3.766 -3.366 1.00 0.00 C ATOM 833 C ASP A 52 1.628 3.345 -3.660 1.00 0.00 C ATOM 834 O ASP A 52 2.516 4.197 -3.663 1.00 0.00 O ATOM 835 CB ASP A 52 -0.541 4.028 -4.688 1.00 0.00 C ATOM 836 CG ASP A 52 -1.819 4.817 -4.499 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.815 6.029 -4.812 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.824 4.242 -4.035 1.00 0.00 O ATOM 0 H ASP A 52 0.908 5.655 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.325 2.973 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.118 4.570 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.774 3.075 -5.164 1.00 0.00 H new ATOM 843 N LEU A 53 1.867 2.061 -3.902 1.00 0.00 N ATOM 844 CA LEU A 53 3.225 1.577 -4.169 1.00 0.00 C ATOM 845 C LEU A 53 3.879 2.337 -5.318 1.00 0.00 C ATOM 846 O LEU A 53 5.066 2.668 -5.256 1.00 0.00 O ATOM 847 CB LEU A 53 3.221 0.077 -4.449 1.00 0.00 C ATOM 848 CG LEU A 53 3.123 -0.805 -3.207 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.876 -2.235 -3.607 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.382 -0.702 -2.368 1.00 0.00 C ATOM 0 H LEU A 53 1.148 1.338 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 53 3.818 1.760 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.384 -0.153 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.132 -0.180 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 53 2.285 -0.456 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.808 -2.856 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.943 -2.300 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.698 -2.586 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.287 -1.340 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.240 -1.024 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.525 0.331 -2.053 1.00 0.00 H new ATOM 862 N SER A 54 3.098 2.629 -6.352 1.00 0.00 N ATOM 863 CA SER A 54 3.583 3.418 -7.480 1.00 0.00 C ATOM 864 C SER A 54 4.107 4.776 -7.009 1.00 0.00 C ATOM 865 O SER A 54 5.166 5.229 -7.439 1.00 0.00 O ATOM 866 CB SER A 54 2.460 3.622 -8.503 1.00 0.00 C ATOM 867 OG SER A 54 1.284 4.103 -7.869 1.00 0.00 O ATOM 0 H SER A 54 2.126 2.331 -6.433 1.00 0.00 H new ATOM 0 HA SER A 54 4.403 2.873 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.782 4.329 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.247 2.680 -9.009 1.00 0.00 H new ATOM 0 HG SER A 54 0.719 3.345 -7.610 1.00 0.00 H new ATOM 873 N THR A 55 3.371 5.405 -6.101 1.00 0.00 N ATOM 874 CA THR A 55 3.735 6.716 -5.591 1.00 0.00 C ATOM 875 C THR A 55 4.902 6.614 -4.616 1.00 0.00 C ATOM 876 O THR A 55 5.753 7.502 -4.560 1.00 0.00 O ATOM 877 CB THR A 55 2.547 7.398 -4.899 1.00 0.00 C ATOM 878 OG1 THR A 55 1.351 7.170 -5.659 1.00 0.00 O ATOM 879 CG2 THR A 55 2.795 8.889 -4.788 1.00 0.00 C ATOM 0 H THR A 55 2.513 5.023 -5.702 1.00 0.00 H new ATOM 0 HA THR A 55 4.034 7.323 -6.446 1.00 0.00 H new ATOM 0 HB THR A 55 2.432 6.979 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.593 7.605 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.946 9.363 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.698 9.065 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.919 9.312 -5.785 1.00 0.00 H new ATOM 887 N VAL A 56 4.948 5.525 -3.856 1.00 0.00 N ATOM 888 CA VAL A 56 6.071 5.275 -2.964 1.00 0.00 C ATOM 889 C VAL A 56 7.344 5.191 -3.782 1.00 0.00 C ATOM 890 O VAL A 56 8.347 5.830 -3.464 1.00 0.00 O ATOM 891 CB VAL A 56 5.904 3.969 -2.158 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.137 3.703 -1.305 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.665 4.034 -1.284 1.00 0.00 C ATOM 0 H VAL A 56 4.225 4.806 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 56 6.116 6.099 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 56 5.787 3.147 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.999 2.778 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.012 3.610 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.284 4.530 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.565 3.104 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.754 4.868 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.785 4.176 -1.911 1.00 0.00 H new ATOM 903 N LYS A 57 7.271 4.426 -4.863 1.00 0.00 N ATOM 904 CA LYS A 57 8.398 4.254 -5.757 1.00 0.00 C ATOM 905 C LYS A 57 8.715 5.567 -6.447 1.00 0.00 C ATOM 906 O LYS A 57 9.870 5.935 -6.600 1.00 0.00 O ATOM 907 CB LYS A 57 8.088 3.190 -6.802 1.00 0.00 C ATOM 908 CG LYS A 57 9.222 2.206 -7.006 1.00 0.00 C ATOM 909 CD LYS A 57 8.937 1.250 -8.144 1.00 0.00 C ATOM 910 CE LYS A 57 9.942 0.112 -8.153 1.00 0.00 C ATOM 911 NZ LYS A 57 11.329 0.592 -8.398 1.00 0.00 N ATOM 0 H LYS A 57 6.434 3.913 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 57 9.261 3.935 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.193 2.646 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.863 3.677 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.144 2.751 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.383 1.641 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.928 0.850 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.977 1.784 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.904 -0.412 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.667 -0.608 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.721 0.110 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.317 1.618 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.920 0.383 -7.568 1.00 0.00 H new ATOM 925 N ARG A 58 7.664 6.262 -6.855 1.00 0.00 N ATOM 926 CA ARG A 58 7.780 7.573 -7.485 1.00 0.00 C ATOM 927 C ARG A 58 8.575 8.536 -6.606 1.00 0.00 C ATOM 928 O ARG A 58 9.539 9.159 -7.052 1.00 0.00 O ATOM 929 CB ARG A 58 6.383 8.131 -7.734 1.00 0.00 C ATOM 930 CG ARG A 58 6.362 9.457 -8.471 1.00 0.00 C ATOM 931 CD ARG A 58 4.941 9.950 -8.662 1.00 0.00 C ATOM 932 NE ARG A 58 4.887 11.230 -9.363 1.00 0.00 N ATOM 933 CZ ARG A 58 3.759 11.884 -9.633 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.585 11.369 -9.279 1.00 0.00 N ATOM 935 NH2 ARG A 58 3.803 13.053 -10.257 1.00 0.00 N ATOM 0 H ARG A 58 6.703 5.934 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 58 8.312 7.463 -8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.810 7.402 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.877 8.253 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.935 10.197 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.846 9.345 -9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.374 9.207 -9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.460 10.051 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 58 5.767 11.649 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.546 10.470 -8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.723 11.873 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.701 13.452 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.939 13.554 -10.464 1.00 0.00 H new ATOM 949 N LYS A 59 8.169 8.643 -5.348 1.00 0.00 N ATOM 950 CA LYS A 59 8.838 9.524 -4.399 1.00 0.00 C ATOM 951 C LYS A 59 10.225 8.980 -4.045 1.00 0.00 C ATOM 952 O LYS A 59 11.139 9.745 -3.727 1.00 0.00 O ATOM 953 CB LYS A 59 7.979 9.702 -3.142 1.00 0.00 C ATOM 954 CG LYS A 59 6.646 10.387 -3.408 1.00 0.00 C ATOM 955 CD LYS A 59 5.664 10.227 -2.246 1.00 0.00 C ATOM 956 CE LYS A 59 6.225 10.734 -0.921 1.00 0.00 C ATOM 957 NZ LYS A 59 6.697 9.623 -0.049 1.00 0.00 N ATOM 0 H LYS A 59 7.378 8.130 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 59 8.970 10.502 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.793 8.724 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.538 10.285 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.816 11.448 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.203 9.973 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.745 10.767 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.398 9.175 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.052 11.417 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.457 11.304 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.434 9.976 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.899 9.255 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.088 8.861 -0.639 1.00 0.00 H new ATOM 971 N MET A 60 10.382 7.658 -4.110 1.00 0.00 N ATOM 972 CA MET A 60 11.692 7.032 -3.933 1.00 0.00 C ATOM 973 C MET A 60 12.595 7.382 -5.111 1.00 0.00 C ATOM 974 O MET A 60 13.793 7.588 -4.949 1.00 0.00 O ATOM 975 CB MET A 60 11.572 5.506 -3.817 1.00 0.00 C ATOM 976 CG MET A 60 12.910 4.802 -3.660 1.00 0.00 C ATOM 977 SD MET A 60 12.832 3.063 -4.122 1.00 0.00 S ATOM 978 CE MET A 60 11.510 2.505 -3.055 1.00 0.00 C ATOM 0 H MET A 60 9.621 7.002 -4.283 1.00 0.00 H new ATOM 0 HA MET A 60 12.124 7.413 -3.008 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.940 5.263 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.070 5.121 -4.704 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.656 5.305 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.242 4.885 -2.625 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.656 1.452 -2.816 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.513 3.090 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.554 2.633 -3.563 1.00 0.00 H new ATOM 988 N GLU A 61 12.002 7.459 -6.298 1.00 0.00 N ATOM 989 CA GLU A 61 12.727 7.810 -7.513 1.00 0.00 C ATOM 990 C GLU A 61 13.213 9.246 -7.473 1.00 0.00 C ATOM 991 O GLU A 61 14.269 9.575 -8.016 1.00 0.00 O ATOM 992 CB GLU A 61 11.851 7.583 -8.727 1.00 0.00 C ATOM 993 CG GLU A 61 11.813 6.116 -9.128 1.00 0.00 C ATOM 994 CD GLU A 61 13.201 5.544 -9.314 1.00 0.00 C ATOM 995 OE1 GLU A 61 13.839 5.154 -8.312 1.00 0.00 O ATOM 996 OE2 GLU A 61 13.661 5.478 -10.471 1.00 0.00 O ATOM 0 H GLU A 61 11.008 7.280 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 61 13.603 7.165 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.839 7.929 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.223 8.178 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.285 5.545 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.249 6.008 -10.054 1.00 0.00 H new ATOM 1003 N ASN A 62 12.445 10.099 -6.812 1.00 0.00 N ATOM 1004 CA ASN A 62 12.840 11.490 -6.630 1.00 0.00 C ATOM 1005 C ASN A 62 13.789 11.588 -5.450 1.00 0.00 C ATOM 1006 O ASN A 62 14.276 12.663 -5.107 1.00 0.00 O ATOM 1007 CB ASN A 62 11.623 12.396 -6.409 1.00 0.00 C ATOM 1008 CG ASN A 62 10.808 12.641 -7.672 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.198 13.699 -7.833 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.779 11.672 -8.575 1.00 0.00 N ATOM 0 H ASN A 62 11.547 9.855 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 62 13.340 11.830 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.979 11.947 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.961 13.354 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.241 11.791 -9.433 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.295 10.807 -8.412 1.00 0.00 H new ATOM 1017 N ARG A 63 14.034 10.427 -4.843 1.00 0.00 N ATOM 1018 CA ARG A 63 14.981 10.272 -3.750 1.00 0.00 C ATOM 1019 C ARG A 63 14.646 11.196 -2.590 1.00 0.00 C ATOM 1020 O ARG A 63 15.531 11.708 -1.910 1.00 0.00 O ATOM 1021 CB ARG A 63 16.406 10.502 -4.257 1.00 0.00 C ATOM 1022 CG ARG A 63 16.746 9.655 -5.474 1.00 0.00 C ATOM 1023 CD ARG A 63 16.827 8.170 -5.136 1.00 0.00 C ATOM 1024 NE ARG A 63 16.299 7.335 -6.216 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.049 6.745 -7.148 1.00 0.00 C ATOM 1026 NH1 ARG A 63 18.360 6.963 -7.189 1.00 0.00 N ATOM 1027 NH2 ARG A 63 16.484 5.951 -8.051 1.00 0.00 N ATOM 0 H ARG A 63 13.570 9.557 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 63 14.910 9.252 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.531 11.555 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.111 10.278 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.991 9.810 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.698 9.984 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.864 7.898 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.269 7.975 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 63 15.290 7.195 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.795 7.583 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.930 6.510 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.477 5.793 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.058 5.500 -8.764 1.00 0.00 H new ATOM 1041 N ASP A 64 13.350 11.391 -2.375 1.00 0.00 N ATOM 1042 CA ASP A 64 12.864 12.162 -1.225 1.00 0.00 C ATOM 1043 C ASP A 64 13.072 11.377 0.060 1.00 0.00 C ATOM 1044 O ASP A 64 12.962 11.916 1.161 1.00 0.00 O ATOM 1045 CB ASP A 64 11.374 12.496 -1.375 1.00 0.00 C ATOM 1046 CG ASP A 64 11.122 13.979 -1.535 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.292 14.529 -0.780 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.747 14.605 -2.415 1.00 0.00 O ATOM 0 H ASP A 64 12.613 11.028 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 64 13.432 13.092 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.973 11.968 -2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.834 12.132 -0.501 1.00 0.00 H new ATOM 1053 N TYR A 65 13.373 10.100 -0.096 1.00 0.00 N ATOM 1054 CA TYR A 65 13.534 9.200 1.032 1.00 0.00 C ATOM 1055 C TYR A 65 14.964 9.247 1.542 1.00 0.00 C ATOM 1056 O TYR A 65 15.914 9.273 0.760 1.00 0.00 O ATOM 1057 CB TYR A 65 13.177 7.765 0.632 1.00 0.00 C ATOM 1058 CG TYR A 65 11.721 7.553 0.278 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.082 6.359 0.580 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.987 8.539 -0.362 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.753 6.161 0.253 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.668 8.346 -0.685 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.053 7.160 -0.376 1.00 0.00 C ATOM 1064 OH TYR A 65 7.734 6.976 -0.709 1.00 0.00 O ATOM 0 H TYR A 65 13.512 9.659 -1.005 1.00 0.00 H new ATOM 0 HA TYR A 65 12.859 9.523 1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.790 7.476 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.439 7.097 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.630 5.573 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.462 9.476 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.269 5.226 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.114 9.128 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 65 7.305 6.403 -0.040 1.00 0.00 H new ATOM 1074 N ARG A 66 15.101 9.280 2.853 1.00 0.00 N ATOM 1075 CA ARG A 66 16.404 9.269 3.498 1.00 0.00 C ATOM 1076 C ARG A 66 16.797 7.856 3.903 1.00 0.00 C ATOM 1077 O ARG A 66 17.981 7.510 3.906 1.00 0.00 O ATOM 1078 CB ARG A 66 16.373 10.197 4.718 1.00 0.00 C ATOM 1079 CG ARG A 66 17.552 10.035 5.665 1.00 0.00 C ATOM 1080 CD ARG A 66 17.380 10.895 6.904 1.00 0.00 C ATOM 1081 NE ARG A 66 16.152 10.565 7.632 1.00 0.00 N ATOM 1082 CZ ARG A 66 15.645 11.299 8.620 1.00 0.00 C ATOM 1083 NH1 ARG A 66 16.283 12.384 9.041 1.00 0.00 N ATOM 1084 NH2 ARG A 66 14.502 10.941 9.194 1.00 0.00 N ATOM 0 H ARG A 66 14.315 9.315 3.502 1.00 0.00 H new ATOM 0 HA ARG A 66 17.154 9.629 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.341 11.230 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.451 10.017 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.648 8.989 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.474 10.310 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.239 10.761 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.360 11.946 6.616 1.00 0.00 H new ATOM 0 HE ARG A 66 15.653 9.717 7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.165 12.658 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.892 12.944 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.013 10.104 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.113 11.503 9.951 1.00 0.00 H new ATOM 1098 N ASP A 67 15.811 7.029 4.226 1.00 0.00 N ATOM 1099 CA ASP A 67 16.092 5.677 4.671 1.00 0.00 C ATOM 1100 C ASP A 67 14.930 4.755 4.349 1.00 0.00 C ATOM 1101 O ASP A 67 13.898 5.189 3.829 1.00 0.00 O ATOM 1102 CB ASP A 67 16.356 5.661 6.167 1.00 0.00 C ATOM 1103 CG ASP A 67 17.238 4.512 6.596 1.00 0.00 C ATOM 1104 OD1 ASP A 67 16.701 3.418 6.851 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.470 4.702 6.680 1.00 0.00 O ATOM 0 H ASP A 67 14.821 7.270 4.188 1.00 0.00 H new ATOM 0 HA ASP A 67 16.979 5.323 4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.825 6.601 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.406 5.601 6.698 1.00 0.00 H new ATOM 1110 N ALA A 68 15.084 3.495 4.702 1.00 0.00 N ATOM 1111 CA ALA A 68 14.085 2.489 4.405 1.00 0.00 C ATOM 1112 C ALA A 68 12.954 2.585 5.404 1.00 0.00 C ATOM 1113 O ALA A 68 11.857 2.084 5.172 1.00 0.00 O ATOM 1114 CB ALA A 68 14.697 1.103 4.436 1.00 0.00 C ATOM 0 H ALA A 68 15.901 3.141 5.200 1.00 0.00 H new ATOM 0 HA ALA A 68 13.694 2.666 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.930 0.362 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.493 1.040 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.109 0.909 5.426 1.00 0.00 H new ATOM 1120 N GLN A 69 13.229 3.248 6.515 1.00 0.00 N ATOM 1121 CA GLN A 69 12.217 3.471 7.529 1.00 0.00 C ATOM 1122 C GLN A 69 11.192 4.469 7.010 1.00 0.00 C ATOM 1123 O GLN A 69 9.999 4.349 7.273 1.00 0.00 O ATOM 1124 CB GLN A 69 12.845 3.991 8.817 1.00 0.00 C ATOM 1125 CG GLN A 69 11.856 4.094 9.961 1.00 0.00 C ATOM 1126 CD GLN A 69 11.427 2.743 10.500 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.427 2.170 10.062 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.183 2.222 11.452 1.00 0.00 N ATOM 0 H GLN A 69 14.144 3.640 6.736 1.00 0.00 H new ATOM 0 HA GLN A 69 11.726 2.523 7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.661 3.330 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.280 4.973 8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.302 4.675 10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.975 4.640 9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.003 2.729 11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.946 1.314 11.851 1.00 0.00 H new ATOM 1137 N GLU A 70 11.674 5.447 6.250 1.00 0.00 N ATOM 1138 CA GLU A 70 10.803 6.421 5.619 1.00 0.00 C ATOM 1139 C GLU A 70 10.004 5.758 4.514 1.00 0.00 C ATOM 1140 O GLU A 70 8.871 6.145 4.233 1.00 0.00 O ATOM 1141 CB GLU A 70 11.609 7.589 5.063 1.00 0.00 C ATOM 1142 CG GLU A 70 12.309 8.402 6.135 1.00 0.00 C ATOM 1143 CD GLU A 70 12.885 9.689 5.594 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.028 9.803 4.361 1.00 0.00 O ATOM 1145 OE2 GLU A 70 13.192 10.591 6.396 1.00 0.00 O ATOM 0 H GLU A 70 12.667 5.583 6.058 1.00 0.00 H new ATOM 0 HA GLU A 70 10.116 6.811 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.353 7.207 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.945 8.243 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.603 8.630 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.108 7.806 6.576 1.00 0.00 H new ATOM 1152 N PHE A 71 10.607 4.760 3.885 1.00 0.00 N ATOM 1153 CA PHE A 71 9.891 3.927 2.935 1.00 0.00 C ATOM 1154 C PHE A 71 8.813 3.141 3.658 1.00 0.00 C ATOM 1155 O PHE A 71 7.650 3.169 3.263 1.00 0.00 O ATOM 1156 CB PHE A 71 10.839 2.970 2.199 1.00 0.00 C ATOM 1157 CG PHE A 71 10.148 1.738 1.676 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.487 1.758 0.460 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.154 0.561 2.409 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.846 0.629 -0.014 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.514 -0.567 1.943 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.858 -0.534 0.728 1.00 0.00 C ATOM 0 H PHE A 71 11.587 4.509 4.016 1.00 0.00 H new ATOM 0 HA PHE A 71 9.433 4.577 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.305 3.498 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.640 2.670 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.472 2.666 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.667 0.528 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.336 0.657 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.525 -1.475 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.356 -1.416 0.360 1.00 0.00 H new ATOM 1172 N ALA A 72 9.216 2.442 4.721 1.00 0.00 N ATOM 1173 CA ALA A 72 8.295 1.669 5.530 1.00 0.00 C ATOM 1174 C ALA A 72 7.141 2.540 5.979 1.00 0.00 C ATOM 1175 O ALA A 72 5.991 2.126 5.935 1.00 0.00 O ATOM 1176 CB ALA A 72 9.016 1.069 6.727 1.00 0.00 C ATOM 0 H ALA A 72 10.185 2.401 5.037 1.00 0.00 H new ATOM 0 HA ALA A 72 7.897 0.852 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.311 0.492 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.817 0.416 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.438 1.869 7.336 1.00 0.00 H new ATOM 1182 N ALA A 73 7.467 3.759 6.374 1.00 0.00 N ATOM 1183 CA ALA A 73 6.480 4.739 6.784 1.00 0.00 C ATOM 1184 C ALA A 73 5.437 4.971 5.690 1.00 0.00 C ATOM 1185 O ALA A 73 4.235 4.968 5.955 1.00 0.00 O ATOM 1186 CB ALA A 73 7.190 6.034 7.141 1.00 0.00 C ATOM 0 H ALA A 73 8.428 4.097 6.419 1.00 0.00 H new ATOM 0 HA ALA A 73 5.947 4.363 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.456 6.778 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.889 5.852 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.735 6.402 6.272 1.00 0.00 H new ATOM 1192 N ASP A 74 5.905 5.142 4.458 1.00 0.00 N ATOM 1193 CA ASP A 74 5.031 5.397 3.324 1.00 0.00 C ATOM 1194 C ASP A 74 4.202 4.163 2.965 1.00 0.00 C ATOM 1195 O ASP A 74 2.978 4.235 2.846 1.00 0.00 O ATOM 1196 CB ASP A 74 5.869 5.828 2.122 1.00 0.00 C ATOM 1197 CG ASP A 74 5.968 7.335 1.967 1.00 0.00 C ATOM 1198 OD1 ASP A 74 5.086 7.937 1.322 1.00 0.00 O ATOM 1199 OD2 ASP A 74 6.943 7.930 2.473 1.00 0.00 O ATOM 0 H ASP A 74 6.896 5.108 4.221 1.00 0.00 H new ATOM 0 HA ASP A 74 4.340 6.194 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.872 5.413 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.436 5.404 1.216 1.00 0.00 H new ATOM 1204 N VAL A 75 4.872 3.026 2.808 1.00 0.00 N ATOM 1205 CA VAL A 75 4.201 1.796 2.395 1.00 0.00 C ATOM 1206 C VAL A 75 3.235 1.291 3.467 1.00 0.00 C ATOM 1207 O VAL A 75 2.129 0.845 3.154 1.00 0.00 O ATOM 1208 CB VAL A 75 5.211 0.681 2.019 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.263 0.499 3.094 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.508 -0.639 1.755 1.00 0.00 C ATOM 0 H VAL A 75 5.876 2.929 2.960 1.00 0.00 H new ATOM 0 HA VAL A 75 3.625 2.045 1.504 1.00 0.00 H new ATOM 0 HB VAL A 75 5.706 1.000 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.954 -0.290 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.812 1.431 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.781 0.225 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.245 -1.398 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.969 -0.949 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.805 -0.518 0.931 1.00 0.00 H new ATOM 1220 N ARG A 76 3.632 1.380 4.729 1.00 0.00 N ATOM 1221 CA ARG A 76 2.780 0.912 5.811 1.00 0.00 C ATOM 1222 C ARG A 76 1.566 1.823 5.950 1.00 0.00 C ATOM 1223 O ARG A 76 0.495 1.382 6.358 1.00 0.00 O ATOM 1224 CB ARG A 76 3.553 0.827 7.132 1.00 0.00 C ATOM 1225 CG ARG A 76 3.746 2.163 7.840 1.00 0.00 C ATOM 1226 CD ARG A 76 4.732 2.044 8.991 1.00 0.00 C ATOM 1227 NE ARG A 76 5.005 3.339 9.617 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.186 3.684 10.140 1.00 0.00 C ATOM 1229 NH1 ARG A 76 7.207 2.836 10.115 1.00 0.00 N ATOM 1230 NH2 ARG A 76 6.348 4.880 10.689 1.00 0.00 N ATOM 0 H ARG A 76 4.528 1.767 5.026 1.00 0.00 H new ATOM 0 HA ARG A 76 2.438 -0.094 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.027 0.148 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.532 0.389 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.105 2.906 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.787 2.519 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.335 1.357 9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.665 1.614 8.626 1.00 0.00 H new ATOM 0 HE ARG A 76 4.247 4.020 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.094 1.914 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.105 3.107 10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.570 5.540 10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.250 5.140 11.087 1.00 0.00 H new ATOM 1244 N LEU A 77 1.737 3.093 5.589 1.00 0.00 N ATOM 1245 CA LEU A 77 0.637 4.044 5.590 1.00 0.00 C ATOM 1246 C LEU A 77 -0.406 3.656 4.549 1.00 0.00 C ATOM 1247 O LEU A 77 -1.605 3.842 4.756 1.00 0.00 O ATOM 1248 CB LEU A 77 1.155 5.453 5.312 1.00 0.00 C ATOM 1249 CG LEU A 77 0.966 6.451 6.448 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.489 7.811 6.038 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.502 6.527 6.840 1.00 0.00 C ATOM 0 H LEU A 77 2.631 3.484 5.292 1.00 0.00 H new ATOM 0 HA LEU A 77 0.169 4.028 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.218 5.392 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.653 5.838 4.424 1.00 0.00 H new ATOM 0 HG LEU A 77 1.533 6.115 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.349 8.517 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.550 7.736 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.945 8.161 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.625 7.243 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.092 6.848 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.842 5.545 7.167 1.00 0.00 H new ATOM 1263 N MET A 78 0.063 3.116 3.433 1.00 0.00 N ATOM 1264 CA MET A 78 -0.818 2.610 2.386 1.00 0.00 C ATOM 1265 C MET A 78 -1.674 1.471 2.932 1.00 0.00 C ATOM 1266 O MET A 78 -2.894 1.454 2.760 1.00 0.00 O ATOM 1267 CB MET A 78 0.023 2.136 1.205 1.00 0.00 C ATOM 1268 CG MET A 78 -0.754 1.594 0.007 1.00 0.00 C ATOM 1269 SD MET A 78 0.370 1.037 -1.288 1.00 0.00 S ATOM 1270 CE MET A 78 1.787 0.542 -0.302 1.00 0.00 C ATOM 0 H MET A 78 1.057 3.016 3.227 1.00 0.00 H new ATOM 0 HA MET A 78 -1.483 3.405 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.640 2.968 0.867 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.701 1.358 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.389 0.767 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.412 2.369 -0.386 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.476 -0.035 -0.919 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.295 1.429 0.076 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.452 -0.069 0.536 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.033 0.535 3.624 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.760 -0.574 4.233 1.00 0.00 C ATOM 1282 C PHE A 79 -2.681 -0.069 5.351 1.00 0.00 C ATOM 1283 O PHE A 79 -3.807 -0.552 5.512 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.796 -1.644 4.758 1.00 0.00 C ATOM 1285 CG PHE A 79 0.043 -2.278 3.681 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.518 -2.650 2.467 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.394 -2.505 3.884 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.253 -3.229 1.477 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.169 -3.086 2.899 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.602 -3.450 1.694 1.00 0.00 C ATOM 0 H PHE A 79 -0.025 0.521 3.776 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.380 -1.034 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.138 -1.195 5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.369 -2.420 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.571 -2.485 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.847 -2.225 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.196 -3.509 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.221 -3.256 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.208 -3.905 0.924 1.00 0.00 H new ATOM 1300 N SER A 80 -2.211 0.931 6.094 1.00 0.00 N ATOM 1301 CA SER A 80 -2.981 1.518 7.182 1.00 0.00 C ATOM 1302 C SER A 80 -4.251 2.195 6.674 1.00 0.00 C ATOM 1303 O SER A 80 -5.333 1.982 7.231 1.00 0.00 O ATOM 1304 CB SER A 80 -2.129 2.529 7.952 1.00 0.00 C ATOM 1305 OG SER A 80 -0.973 1.912 8.490 1.00 0.00 O ATOM 0 H SER A 80 -1.292 1.353 5.958 1.00 0.00 H new ATOM 0 HA SER A 80 -3.274 0.707 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.836 3.343 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.718 2.969 8.756 1.00 0.00 H new ATOM 0 HG SER A 80 -0.229 2.005 7.859 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.137 3.006 5.619 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.297 3.747 5.136 1.00 0.00 C ATOM 1313 C ASN A 81 -6.347 2.791 4.565 1.00 0.00 C ATOM 1314 O ASN A 81 -7.545 3.068 4.633 1.00 0.00 O ATOM 1315 CB ASN A 81 -4.931 4.849 4.117 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.613 4.337 2.722 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.509 4.001 1.952 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.341 4.333 2.367 1.00 0.00 N ATOM 0 H ASN A 81 -3.275 3.162 5.096 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.722 4.262 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.759 5.555 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.070 5.402 4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.075 4.044 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.624 4.619 3.034 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.906 1.651 4.039 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.850 0.634 3.553 1.00 0.00 C ATOM 1327 C CYS A 82 -7.705 0.100 4.701 1.00 0.00 C ATOM 1328 O CYS A 82 -8.927 -0.011 4.564 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.155 -0.540 2.831 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.258 -1.924 2.476 1.00 0.00 S ATOM 0 H CYS A 82 -4.921 1.406 3.937 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.485 1.133 2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.727 -0.178 1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.327 -0.894 3.445 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.569 -2.916 1.995 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.076 -0.207 5.844 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.829 -0.699 7.000 1.00 0.00 C ATOM 1338 C TYR A 83 -8.759 0.387 7.536 1.00 0.00 C ATOM 1339 O TYR A 83 -9.757 0.095 8.198 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.915 -1.138 8.151 1.00 0.00 C ATOM 1341 CG TYR A 83 -5.927 -2.251 7.836 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.285 -3.340 7.046 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.635 -2.228 8.368 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.389 -4.366 6.793 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.742 -3.247 8.114 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.121 -4.312 7.332 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.225 -5.328 7.090 1.00 0.00 O ATOM 0 H TYR A 83 -6.070 -0.125 5.990 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.396 -1.560 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.354 -0.269 8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.542 -1.461 8.982 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.278 -3.386 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.331 -1.398 8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.682 -5.203 6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.746 -3.209 8.529 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.378 -5.132 7.543 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.412 1.636 7.259 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.185 2.774 7.737 1.00 0.00 C ATOM 1359 C LYS A 84 -10.481 2.918 6.950 1.00 0.00 C ATOM 1360 O LYS A 84 -11.555 3.059 7.532 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.358 4.054 7.616 1.00 0.00 C ATOM 1362 CG LYS A 84 -9.001 5.277 8.242 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.081 6.479 8.135 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.797 7.765 8.497 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.380 7.720 9.864 1.00 0.00 N ATOM 0 H LYS A 84 -7.595 1.888 6.702 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.435 2.604 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.387 3.890 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.174 4.255 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.947 5.491 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.229 5.079 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.224 6.341 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.693 6.552 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.098 8.599 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.589 7.954 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.724 8.666 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.172 7.046 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.652 7.417 10.542 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.382 2.871 5.625 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.552 3.055 4.780 1.00 0.00 C ATOM 1381 C TYR A 85 -12.434 1.817 4.798 1.00 0.00 C ATOM 1382 O TYR A 85 -13.637 1.893 5.042 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.151 3.346 3.333 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.344 3.654 2.451 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.968 4.882 2.565 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.858 2.740 1.524 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.062 5.210 1.790 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.954 3.060 0.744 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.551 4.296 0.883 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.637 4.626 0.106 1.00 0.00 O ATOM 0 H TYR A 85 -9.511 2.709 5.119 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.103 3.906 5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.461 4.190 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.616 2.487 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.591 5.601 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.392 1.772 1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.532 6.177 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.340 2.347 0.031 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.785 5.594 0.144 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.812 0.678 4.561 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.539 -0.552 4.310 1.00 0.00 C ATOM 1402 C ASN A 86 -12.640 -1.393 5.572 1.00 0.00 C ATOM 1403 O ASN A 86 -11.650 -1.602 6.273 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.837 -1.343 3.202 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.611 -0.507 1.960 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.453 -0.457 1.066 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.461 0.145 1.893 1.00 0.00 N ATOM 0 H ASN A 86 -10.797 0.579 4.537 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.551 -0.301 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.879 -1.710 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.436 -2.217 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.246 0.717 1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.790 0.076 2.658 1.00 0.00 H new ATOM 1414 N PRO A 87 -13.852 -1.872 5.882 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.087 -2.752 7.029 1.00 0.00 C ATOM 1416 C PRO A 87 -13.433 -4.118 6.829 1.00 0.00 C ATOM 1417 O PRO A 87 -13.201 -4.544 5.696 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.614 -2.884 7.066 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.055 -2.606 5.672 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.090 -1.588 5.137 1.00 0.00 C ATOM 0 HA PRO A 87 -13.664 -2.358 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -15.917 -3.881 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.055 -2.177 7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.041 -3.514 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.076 -2.226 5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -14.946 -1.696 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.440 -0.571 5.311 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.133 -4.813 7.948 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.382 -6.084 7.961 1.00 0.00 C ATOM 1430 C PRO A 88 -12.946 -7.148 7.025 1.00 0.00 C ATOM 1431 O PRO A 88 -12.244 -8.092 6.659 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.483 -6.562 9.416 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.521 -5.701 10.055 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.499 -4.402 9.309 1.00 0.00 C ATOM 0 HA PRO A 88 -11.363 -5.924 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.764 -7.614 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.525 -6.465 9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.504 -6.167 9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.303 -5.547 11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.469 -3.905 9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.773 -3.706 9.730 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.203 -7.000 6.648 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.818 -7.914 5.689 1.00 0.00 C ATOM 1444 C ASP A 89 -14.815 -7.300 4.294 1.00 0.00 C ATOM 1445 O ASP A 89 -15.834 -6.793 3.822 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.256 -8.292 6.087 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.324 -9.008 7.418 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.138 -10.243 7.443 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.581 -8.345 8.445 1.00 0.00 O ATOM 0 H ASP A 89 -14.819 -6.261 6.986 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.222 -8.827 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.865 -7.389 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.687 -8.928 5.314 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.660 -7.333 3.641 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.541 -6.860 2.267 1.00 0.00 C ATOM 1456 C HIS A 90 -12.279 -7.431 1.627 1.00 0.00 C ATOM 1457 O HIS A 90 -11.439 -8.010 2.316 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.506 -5.325 2.200 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.330 -4.751 1.068 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.826 -4.535 -0.198 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.633 -4.357 1.012 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.771 -4.039 -0.971 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.877 -3.921 -0.268 1.00 0.00 N ATOM 0 H HIS A 90 -12.790 -7.683 4.042 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.419 -7.203 1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -13.869 -4.920 3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.472 -4.998 2.089 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -12.868 -4.729 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.344 -4.383 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.656 -3.773 -2.011 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.146 -7.265 0.326 1.00 0.00 N ATOM 1473 CA ASP A 91 -10.990 -7.776 -0.405 1.00 0.00 C ATOM 1474 C ASP A 91 -9.708 -7.036 -0.019 1.00 0.00 C ATOM 1475 O ASP A 91 -8.708 -7.658 0.340 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.229 -7.651 -1.925 1.00 0.00 C ATOM 1477 CG ASP A 91 -11.297 -6.207 -2.394 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -11.912 -5.377 -1.682 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -10.737 -5.900 -3.458 1.00 0.00 O ATOM 0 H ASP A 91 -12.827 -6.777 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.865 -8.826 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.428 -8.164 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.159 -8.157 -2.185 1.00 0.00 H new ATOM 1484 N VAL A 92 -9.757 -5.711 -0.068 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.577 -4.879 0.118 1.00 0.00 C ATOM 1486 C VAL A 92 -7.973 -5.022 1.502 1.00 0.00 C ATOM 1487 O VAL A 92 -6.769 -4.875 1.669 1.00 0.00 O ATOM 1488 CB VAL A 92 -8.882 -3.402 -0.171 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.953 -3.175 -1.660 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.159 -2.977 0.501 1.00 0.00 C ATOM 0 H VAL A 92 -10.614 -5.185 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.840 -5.236 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.076 -2.791 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.170 -2.125 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.999 -3.441 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.742 -3.795 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.354 -1.927 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.985 -3.584 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.065 -3.111 1.579 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.795 -5.328 2.487 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.302 -5.491 3.843 1.00 0.00 C ATOM 1502 C VAL A 93 -7.629 -6.847 3.997 1.00 0.00 C ATOM 1503 O VAL A 93 -6.642 -6.984 4.716 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.428 -5.325 4.882 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.087 -3.972 4.719 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.462 -6.426 4.752 1.00 0.00 C ATOM 0 H VAL A 93 -9.799 -5.468 2.377 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.568 -4.707 4.028 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.985 -5.394 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.882 -3.863 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.346 -3.186 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.509 -3.891 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.243 -6.281 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.902 -6.396 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.985 -7.393 4.909 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.151 -7.842 3.286 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.559 -9.168 3.283 1.00 0.00 C ATOM 1518 C ALA A 94 -6.249 -9.151 2.507 1.00 0.00 C ATOM 1519 O ALA A 94 -5.256 -9.750 2.923 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.526 -10.178 2.684 1.00 0.00 C ATOM 0 H ALA A 94 -8.984 -7.751 2.705 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.350 -9.465 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.068 -11.167 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.442 -10.199 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.762 -9.892 1.659 1.00 0.00 H new ATOM 1526 N MET A 95 -6.246 -8.435 1.390 1.00 0.00 N ATOM 1527 CA MET A 95 -5.053 -8.308 0.569 1.00 0.00 C ATOM 1528 C MET A 95 -4.012 -7.435 1.268 1.00 0.00 C ATOM 1529 O MET A 95 -2.816 -7.709 1.185 1.00 0.00 O ATOM 1530 CB MET A 95 -5.393 -7.743 -0.816 1.00 0.00 C ATOM 1531 CG MET A 95 -6.316 -8.638 -1.642 1.00 0.00 C ATOM 1532 SD MET A 95 -6.480 -8.081 -3.351 1.00 0.00 S ATOM 1533 CE MET A 95 -7.916 -7.013 -3.244 1.00 0.00 C ATOM 0 H MET A 95 -7.059 -7.933 1.033 1.00 0.00 H new ATOM 0 HA MET A 95 -4.631 -9.303 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.864 -6.767 -0.694 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.468 -7.583 -1.369 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.931 -9.658 -1.632 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.301 -8.665 -1.177 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.797 -6.174 -3.930 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.810 -7.577 -3.512 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.015 -6.638 -2.225 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.470 -6.409 1.990 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.561 -5.541 2.739 1.00 0.00 C ATOM 1545 C ALA A 96 -2.970 -6.304 3.914 1.00 0.00 C ATOM 1546 O ALA A 96 -1.904 -5.968 4.414 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.276 -4.290 3.240 1.00 0.00 C ATOM 0 H ALA A 96 -5.456 -6.161 2.071 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.762 -5.228 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.573 -3.666 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.668 -3.730 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.098 -4.578 3.895 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.686 -7.332 4.352 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.259 -8.166 5.468 1.00 0.00 C ATOM 1555 C ARG A 97 -2.210 -9.185 5.019 1.00 0.00 C ATOM 1556 O ARG A 97 -1.194 -9.392 5.686 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.476 -8.888 6.042 1.00 0.00 C ATOM 1558 CG ARG A 97 -4.235 -9.557 7.381 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.474 -10.304 7.843 1.00 0.00 C ATOM 1560 NE ARG A 97 -6.634 -9.419 7.946 1.00 0.00 N ATOM 1561 CZ ARG A 97 -7.774 -9.585 7.272 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.912 -10.592 6.417 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -8.776 -8.732 7.447 1.00 0.00 N ATOM 0 H ARG A 97 -4.578 -7.611 3.944 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.807 -7.533 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.291 -8.172 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.806 -9.642 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.397 -10.249 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.960 -8.807 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.693 -11.111 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.281 -10.765 8.812 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.567 -8.620 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.143 -11.246 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.787 -10.711 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.674 -7.951 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.648 -8.857 6.933 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.463 -9.816 3.883 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.558 -10.821 3.345 1.00 0.00 C ATOM 1579 C LYS A 98 -0.283 -10.164 2.805 1.00 0.00 C ATOM 1580 O LYS A 98 0.831 -10.655 3.019 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.280 -11.614 2.256 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.504 -12.811 1.738 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.282 -13.539 0.660 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.505 -14.721 0.123 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.324 -15.552 -0.798 1.00 0.00 N ATOM 0 H LYS A 98 -3.292 -9.649 3.313 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.259 -11.506 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.237 -11.958 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.498 -10.948 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.545 -12.482 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.290 -13.494 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.235 -13.881 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.510 -12.851 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.619 -14.364 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.158 -15.335 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.078 -16.555 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.333 -15.414 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.135 -15.269 -1.781 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.452 -9.044 2.110 1.00 0.00 N ATOM 1600 CA LEU A 99 0.681 -8.231 1.671 1.00 0.00 C ATOM 1601 C LEU A 99 1.423 -7.650 2.872 1.00 0.00 C ATOM 1602 O LEU A 99 2.626 -7.395 2.805 1.00 0.00 O ATOM 1603 CB LEU A 99 0.242 -7.090 0.748 1.00 0.00 C ATOM 1604 CG LEU A 99 0.231 -7.369 -0.767 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.700 -6.138 -1.503 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.122 -8.536 -1.145 1.00 0.00 C ATOM 0 H LEU A 99 -1.364 -8.676 1.837 1.00 0.00 H new ATOM 0 HA LEU A 99 1.346 -8.889 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.763 -6.786 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.898 -6.239 0.929 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.791 -7.625 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.694 -6.331 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.033 -5.305 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.712 -5.888 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.080 -8.692 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.149 -8.320 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.779 -9.436 -0.634 1.00 0.00 H new ATOM 1618 N GLN A 100 0.703 -7.432 3.967 1.00 0.00 N ATOM 1619 CA GLN A 100 1.324 -6.985 5.207 1.00 0.00 C ATOM 1620 C GLN A 100 2.330 -8.027 5.676 1.00 0.00 C ATOM 1621 O GLN A 100 3.425 -7.692 6.112 1.00 0.00 O ATOM 1622 CB GLN A 100 0.262 -6.751 6.290 1.00 0.00 C ATOM 1623 CG GLN A 100 0.808 -6.175 7.588 1.00 0.00 C ATOM 1624 CD GLN A 100 1.372 -4.778 7.419 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.557 -4.601 7.145 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.525 -3.774 7.588 1.00 0.00 N ATOM 0 H GLN A 100 -0.308 -7.557 4.021 1.00 0.00 H new ATOM 0 HA GLN A 100 1.838 -6.042 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.498 -6.075 5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.234 -7.697 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.013 -6.153 8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.588 -6.833 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.451 -3.963 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.849 -2.812 7.491 1.00 0.00 H new ATOM 1635 N ASP A 101 1.952 -9.297 5.547 1.00 0.00 N ATOM 1636 CA ASP A 101 2.812 -10.399 5.963 1.00 0.00 C ATOM 1637 C ASP A 101 4.124 -10.407 5.186 1.00 0.00 C ATOM 1638 O ASP A 101 5.201 -10.465 5.782 1.00 0.00 O ATOM 1639 CB ASP A 101 2.104 -11.744 5.785 1.00 0.00 C ATOM 1640 CG ASP A 101 2.992 -12.909 6.174 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.511 -13.597 5.270 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.192 -13.132 7.389 1.00 0.00 O ATOM 0 H ASP A 101 1.055 -9.587 5.157 1.00 0.00 H new ATOM 0 HA ASP A 101 3.035 -10.250 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.198 -11.760 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.794 -11.856 4.746 1.00 0.00 H new ATOM 1647 N VAL A 102 4.037 -10.343 3.858 1.00 0.00 N ATOM 1648 CA VAL A 102 5.240 -10.350 3.025 1.00 0.00 C ATOM 1649 C VAL A 102 6.099 -9.116 3.284 1.00 0.00 C ATOM 1650 O VAL A 102 7.280 -9.239 3.610 1.00 0.00 O ATOM 1651 CB VAL A 102 4.920 -10.471 1.510 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.782 -9.574 1.102 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.140 -10.160 0.658 1.00 0.00 C ATOM 0 H VAL A 102 3.160 -10.286 3.341 1.00 0.00 H new ATOM 0 HA VAL A 102 5.802 -11.239 3.311 1.00 0.00 H new ATOM 0 HB VAL A 102 4.622 -11.506 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.592 -9.690 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.887 -9.845 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.042 -8.537 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.881 -10.254 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.475 -9.143 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.940 -10.860 0.899 1.00 0.00 H new ATOM 1663 N PHE A 103 5.504 -7.936 3.159 1.00 0.00 N ATOM 1664 CA PHE A 103 6.227 -6.686 3.374 1.00 0.00 C ATOM 1665 C PHE A 103 6.872 -6.635 4.763 1.00 0.00 C ATOM 1666 O PHE A 103 8.028 -6.228 4.897 1.00 0.00 O ATOM 1667 CB PHE A 103 5.307 -5.472 3.139 1.00 0.00 C ATOM 1668 CG PHE A 103 5.729 -4.228 3.892 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.959 -3.640 3.634 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.912 -3.655 4.869 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.369 -2.519 4.329 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.320 -2.531 5.559 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.549 -1.965 5.292 1.00 0.00 C ATOM 0 H PHE A 103 4.522 -7.817 2.910 1.00 0.00 H new ATOM 0 HA PHE A 103 7.035 -6.644 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.282 -5.248 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.291 -5.736 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.605 -4.065 2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.951 -4.096 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.331 -2.076 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.676 -2.095 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.870 -1.089 5.836 1.00 0.00 H new ATOM 1683 N GLU A 104 6.155 -7.085 5.790 1.00 0.00 N ATOM 1684 CA GLU A 104 6.671 -6.984 7.152 1.00 0.00 C ATOM 1685 C GLU A 104 7.812 -7.972 7.365 1.00 0.00 C ATOM 1686 O GLU A 104 8.698 -7.740 8.186 1.00 0.00 O ATOM 1687 CB GLU A 104 5.570 -7.192 8.204 1.00 0.00 C ATOM 1688 CG GLU A 104 5.315 -8.642 8.598 1.00 0.00 C ATOM 1689 CD GLU A 104 4.321 -8.758 9.732 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.508 -8.068 10.759 1.00 0.00 O ATOM 1691 OE2 GLU A 104 3.352 -9.538 9.612 1.00 0.00 O ATOM 0 H GLU A 104 5.234 -7.515 5.709 1.00 0.00 H new ATOM 0 HA GLU A 104 7.053 -5.971 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.835 -6.630 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.641 -6.767 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.943 -9.192 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.256 -9.108 8.892 1.00 0.00 H new ATOM 1698 N PHE A 105 7.794 -9.070 6.614 1.00 0.00 N ATOM 1699 CA PHE A 105 8.879 -10.036 6.666 1.00 0.00 C ATOM 1700 C PHE A 105 10.091 -9.474 5.941 1.00 0.00 C ATOM 1701 O PHE A 105 11.222 -9.619 6.395 1.00 0.00 O ATOM 1702 CB PHE A 105 8.463 -11.366 6.026 1.00 0.00 C ATOM 1703 CG PHE A 105 9.442 -12.487 6.264 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.286 -13.333 7.351 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.516 -12.698 5.406 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.176 -14.365 7.579 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.408 -13.727 5.632 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.237 -14.563 6.719 1.00 0.00 C ATOM 0 H PHE A 105 7.043 -9.309 5.967 1.00 0.00 H new ATOM 0 HA PHE A 105 9.126 -10.224 7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.488 -11.658 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.345 -11.221 4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.458 -13.184 8.028 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.654 -12.050 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.041 -15.016 8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.239 -13.879 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.933 -15.370 6.895 1.00 0.00 H new ATOM 1718 N ARG A 106 9.837 -8.811 4.822 1.00 0.00 N ATOM 1719 CA ARG A 106 10.895 -8.247 4.007 1.00 0.00 C ATOM 1720 C ARG A 106 11.632 -7.150 4.766 1.00 0.00 C ATOM 1721 O ARG A 106 12.853 -7.035 4.679 1.00 0.00 O ATOM 1722 CB ARG A 106 10.326 -7.698 2.699 1.00 0.00 C ATOM 1723 CG ARG A 106 9.720 -8.736 1.822 1.00 0.00 C ATOM 1724 CD ARG A 106 10.792 -9.667 1.346 1.00 0.00 C ATOM 1725 NE ARG A 106 11.966 -8.964 0.828 1.00 0.00 N ATOM 1726 CZ ARG A 106 13.183 -9.501 0.762 1.00 0.00 C ATOM 1727 NH1 ARG A 106 13.391 -10.741 1.191 1.00 0.00 N ATOM 1728 NH2 ARG A 106 14.190 -8.802 0.248 1.00 0.00 N ATOM 0 H ARG A 106 8.898 -8.651 4.458 1.00 0.00 H new ATOM 0 HA ARG A 106 11.605 -9.040 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.572 -6.946 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.122 -7.193 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.957 -9.290 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.225 -8.267 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.096 -10.314 2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.387 -10.311 0.566 1.00 0.00 H new ATOM 0 HE ARG A 106 11.845 -8.006 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.617 -11.285 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.324 -11.149 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.030 -7.855 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.122 -9.213 0.197 1.00 0.00 H new ATOM 1742 N TYR A 107 10.882 -6.349 5.514 1.00 0.00 N ATOM 1743 CA TYR A 107 11.481 -5.280 6.307 1.00 0.00 C ATOM 1744 C TYR A 107 12.129 -5.838 7.576 1.00 0.00 C ATOM 1745 O TYR A 107 13.153 -5.331 8.027 1.00 0.00 O ATOM 1746 CB TYR A 107 10.450 -4.202 6.663 1.00 0.00 C ATOM 1747 CG TYR A 107 11.075 -2.944 7.233 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.460 -1.895 6.405 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.297 -2.813 8.598 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.048 -0.758 6.923 1.00 0.00 C ATOM 1751 CE2 TYR A 107 11.881 -1.676 9.121 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.255 -0.653 8.279 1.00 0.00 C ATOM 1753 OH TYR A 107 12.846 0.476 8.795 1.00 0.00 O ATOM 0 H TYR A 107 9.867 -6.417 5.589 1.00 0.00 H new ATOM 0 HA TYR A 107 12.257 -4.816 5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.880 -3.945 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.743 -4.609 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.297 -1.971 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.008 -3.614 9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.344 0.046 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.043 -1.590 10.185 1.00 0.00 H new ATOM 0 HH TYR A 107 12.918 0.392 9.769 1.00 0.00 H new ATOM 1763 N ALA A 108 11.540 -6.884 8.146 1.00 0.00 N ATOM 1764 CA ALA A 108 12.109 -7.527 9.327 1.00 0.00 C ATOM 1765 C ALA A 108 13.421 -8.219 8.979 1.00 0.00 C ATOM 1766 O ALA A 108 14.345 -8.280 9.790 1.00 0.00 O ATOM 1767 CB ALA A 108 11.127 -8.525 9.913 1.00 0.00 C ATOM 0 H ALA A 108 10.673 -7.304 7.812 1.00 0.00 H new ATOM 0 HA ALA A 108 12.310 -6.758 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.567 -8.995 10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.210 -8.009 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 108 10.897 -9.289 9.170 1.00 0.00 H new ATOM 1773 N LYS A 109 13.485 -8.748 7.767 1.00 0.00 N ATOM 1774 CA LYS A 109 14.685 -9.394 7.267 1.00 0.00 C ATOM 1775 C LYS A 109 15.691 -8.340 6.807 1.00 0.00 C ATOM 1776 O LYS A 109 16.892 -8.603 6.709 1.00 0.00 O ATOM 1777 CB LYS A 109 14.307 -10.341 6.127 1.00 0.00 C ATOM 1778 CG LYS A 109 15.447 -11.232 5.648 1.00 0.00 C ATOM 1779 CD LYS A 109 15.044 -12.087 4.446 1.00 0.00 C ATOM 1780 CE LYS A 109 16.230 -12.836 3.864 1.00 0.00 C ATOM 1781 NZ LYS A 109 17.273 -11.919 3.329 1.00 0.00 N ATOM 0 H LYS A 109 12.709 -8.741 7.106 1.00 0.00 H new ATOM 0 HA LYS A 109 15.154 -9.976 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.481 -10.972 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.944 -9.751 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 109 16.303 -10.612 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.766 -11.881 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.277 -12.800 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.604 -11.451 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.669 -13.471 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.885 -13.494 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.929 -12.454 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.821 -11.168 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.799 -11.493 4.119 1.00 0.00 H new ATOM 1795 N MET A 110 15.187 -7.144 6.527 1.00 0.00 N ATOM 1796 CA MET A 110 16.035 -6.002 6.204 1.00 0.00 C ATOM 1797 C MET A 110 16.750 -5.515 7.463 1.00 0.00 C ATOM 1798 O MET A 110 16.109 -5.209 8.470 1.00 0.00 O ATOM 1799 CB MET A 110 15.202 -4.867 5.570 1.00 0.00 C ATOM 1800 CG MET A 110 15.918 -3.520 5.478 1.00 0.00 C ATOM 1801 SD MET A 110 15.661 -2.495 6.940 1.00 0.00 S ATOM 1802 CE MET A 110 16.519 -1.009 6.446 1.00 0.00 C ATOM 0 H MET A 110 14.188 -6.939 6.517 1.00 0.00 H new ATOM 0 HA MET A 110 16.784 -6.313 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.902 -5.172 4.568 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.289 -4.738 6.151 1.00 0.00 H new ATOM 0 HG2 MET A 110 16.986 -3.689 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.565 -2.984 4.597 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.122 -0.158 7.000 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.583 -1.116 6.658 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.377 -0.845 5.378 1.00 0.00 H new ATOM 1812 N PRO A 111 18.091 -5.483 7.441 1.00 0.00 N ATOM 1813 CA PRO A 111 18.877 -5.008 8.571 1.00 0.00 C ATOM 1814 C PRO A 111 19.080 -3.494 8.554 1.00 0.00 C ATOM 1815 O PRO A 111 19.133 -2.870 7.488 1.00 0.00 O ATOM 1816 CB PRO A 111 20.205 -5.732 8.388 1.00 0.00 C ATOM 1817 CG PRO A 111 20.342 -5.940 6.916 1.00 0.00 C ATOM 1818 CD PRO A 111 18.951 -5.932 6.328 1.00 0.00 C ATOM 0 HA PRO A 111 18.388 -5.207 9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.032 -5.141 8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.211 -6.682 8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 111 20.951 -5.153 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.842 -6.886 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.883 -5.257 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.662 -6.922 5.975 1.00 0.00 H new ATOM 1826 N ASP A 112 19.198 -2.912 9.738 1.00 0.00 N ATOM 1827 CA ASP A 112 19.418 -1.480 9.881 1.00 0.00 C ATOM 1828 C ASP A 112 20.601 -1.229 10.807 1.00 0.00 C ATOM 1829 O ASP A 112 20.411 -1.222 12.040 1.00 0.00 O ATOM 1830 CB ASP A 112 18.160 -0.790 10.421 1.00 0.00 C ATOM 1831 CG ASP A 112 18.358 0.698 10.651 1.00 0.00 C ATOM 1832 OD1 ASP A 112 18.275 1.142 11.818 1.00 0.00 O ATOM 1833 OD2 ASP A 112 18.589 1.433 9.672 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.728 -1.067 10.299 1.00 0.00 O ATOM 0 H ASP A 112 19.144 -3.416 10.623 1.00 0.00 H new ATOM 0 HA ASP A 112 19.640 -1.060 8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 112 17.340 -0.938 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 112 17.866 -1.262 11.359 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -25.285 2.225 1.533 1.00 0.00 N ATOM 1841 CA HIS B 281 -24.046 2.767 2.138 1.00 0.00 C ATOM 1842 C HIS B 281 -24.334 4.125 2.766 1.00 0.00 C ATOM 1843 O HIS B 281 -23.884 5.155 2.267 1.00 0.00 O ATOM 1844 CB HIS B 281 -22.944 2.904 1.079 1.00 0.00 C ATOM 1845 CG HIS B 281 -22.577 1.613 0.414 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -22.737 1.390 -0.934 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -22.064 0.469 0.922 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -22.345 0.165 -1.226 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -21.930 -0.420 -0.117 1.00 0.00 N ATOM 0 HA HIS B 281 -23.701 2.077 2.908 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -23.271 3.613 0.318 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -22.055 3.326 1.547 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -21.807 0.288 1.955 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -22.361 -0.285 -2.208 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -21.570 -1.372 -0.044 1.00 0.00 H new ATOM 1860 N ASN B 282 -25.090 4.119 3.857 1.00 0.00 N ATOM 1861 CA ASN B 282 -25.545 5.361 4.477 1.00 0.00 C ATOM 1862 C ASN B 282 -24.398 6.084 5.167 1.00 0.00 C ATOM 1863 O ASN B 282 -24.045 7.203 4.791 1.00 0.00 O ATOM 1864 CB ASN B 282 -26.669 5.095 5.486 1.00 0.00 C ATOM 1865 CG ASN B 282 -27.948 4.588 4.845 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -27.922 3.891 3.830 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -29.081 4.931 5.437 1.00 0.00 N ATOM 0 H ASN B 282 -25.401 3.271 4.331 1.00 0.00 H new ATOM 0 HA ASN B 282 -25.931 5.997 3.680 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -26.324 4.365 6.218 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -26.884 6.015 6.030 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -29.972 4.616 5.054 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -29.063 5.510 6.277 1.00 0.00 H new ATOM 1874 N LEU B 283 -23.821 5.439 6.177 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.721 6.026 6.932 1.00 0.00 C ATOM 1876 C LEU B 283 -21.499 6.212 6.046 1.00 0.00 C ATOM 1877 O LEU B 283 -21.049 7.336 5.814 1.00 0.00 O ATOM 1878 CB LEU B 283 -22.358 5.143 8.131 1.00 0.00 C ATOM 1879 CG LEU B 283 -23.435 5.020 9.213 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -23.009 4.010 10.266 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -23.703 6.370 9.858 1.00 0.00 C ATOM 0 H LEU B 283 -24.098 4.509 6.491 1.00 0.00 H new ATOM 0 HA LEU B 283 -23.046 7.001 7.294 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -22.120 4.144 7.765 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -21.452 5.538 8.589 1.00 0.00 H new ATOM 0 HG LEU B 283 -24.356 4.673 8.744 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -23.783 3.932 11.029 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -22.861 3.037 9.798 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -22.077 4.336 10.727 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -24.471 6.261 10.624 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -22.786 6.744 10.314 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -24.044 7.074 9.099 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.973 5.107 5.542 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.789 5.137 4.704 1.00 0.00 C ATOM 1895 C LEU B 284 -19.933 4.181 3.535 1.00 0.00 C ATOM 1896 O LEU B 284 -20.895 3.418 3.450 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.542 4.768 5.514 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.941 5.896 6.354 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.758 5.385 7.162 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -17.512 7.047 5.458 1.00 0.00 C ATOM 0 H LEU B 284 -21.352 4.173 5.701 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.679 6.152 4.322 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.793 3.940 6.177 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.778 4.405 4.826 1.00 0.00 H new ATOM 0 HG LEU B 284 -18.702 6.257 7.046 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.342 6.200 7.754 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.089 4.586 7.826 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -15.994 5.001 6.486 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.086 7.844 6.068 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.765 6.695 4.747 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -18.377 7.428 4.916 1.00 0.00 H new ATOM 1912 N ARG B 285 -18.972 4.245 2.631 1.00 0.00 N ATOM 1913 CA ARG B 285 -18.912 3.341 1.499 1.00 0.00 C ATOM 1914 C ARG B 285 -17.781 2.352 1.727 1.00 0.00 C ATOM 1915 O ARG B 285 -16.853 2.641 2.478 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.703 4.120 0.195 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.945 4.841 -0.311 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.262 6.076 0.520 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.582 6.622 0.215 1.00 0.00 N ATOM 1920 CZ ARG B 285 -22.088 7.714 0.786 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -21.351 8.434 1.620 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -23.327 8.094 0.502 1.00 0.00 N ATOM 0 H ARG B 285 -18.212 4.925 2.662 1.00 0.00 H new ATOM 0 HA ARG B 285 -19.855 2.801 1.409 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.909 4.851 0.346 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.359 3.430 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -19.798 5.131 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.795 4.159 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.211 5.822 1.579 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.504 6.838 0.338 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.152 6.137 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.393 8.153 1.827 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -21.742 9.269 2.055 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.890 7.550 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.717 8.930 0.938 1.00 0.00 H new ATOM 1936 N ILE B 286 -17.855 1.196 1.088 1.00 0.00 N ATOM 1937 CA ILE B 286 -16.900 0.128 1.351 1.00 0.00 C ATOM 1938 C ILE B 286 -16.054 -0.185 0.124 1.00 0.00 C ATOM 1939 O ILE B 286 -15.413 -1.231 0.065 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.614 -1.160 1.817 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.634 -1.620 0.768 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.292 -0.931 3.162 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.334 -2.915 1.123 1.00 0.00 C ATOM 0 H ILE B 286 -18.561 0.972 0.387 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.246 0.484 2.147 1.00 0.00 H new ATOM 0 HB ILE B 286 -16.869 -1.947 1.935 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.382 -0.838 0.635 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.127 -1.742 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.791 -1.847 3.478 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.544 -0.651 3.904 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.027 -0.131 3.068 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.040 -3.175 0.334 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.596 -3.711 1.227 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -19.871 -2.792 2.064 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.204 2.056 0.070 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.756 1.183 -0.672 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.269 0.826 -0.593 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.525 0.545 -1.544 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.952 0.807 -1.707 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.548 -0.011 -2.841 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.999 0.350 -3.107 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.862 0.225 -1.862 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.330 0.585 -2.102 1.00 0.00 C HETATM 1964 N ALY B 287 -16.064 0.735 -0.842 1.00 0.00 N HETATM 1965 C ALY B 287 -15.985 -0.462 -3.002 1.00 0.00 C HETATM 1966 O ALY B 287 -16.358 -1.549 -2.554 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.670 1.708 -0.820 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.032 0.476 0.412 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.045 0.040 -1.314 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.096 -0.168 -2.133 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.395 -0.299 -3.888 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.054 1.371 -3.483 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.107 1.868 -1.903 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.473 0.575 -0.778 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.478 -1.071 -2.598 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.964 0.148 -3.747 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.365 1.551 -2.606 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.459 0.873 -1.083 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.803 -0.797 -1.489 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.113 -0.132 -4.279 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.733 -1.029 -5.244 1.00 0.00 C ATOM 1983 C GLN B 288 -15.714 -2.055 -5.750 1.00 0.00 C ATOM 1984 O GLN B 288 -15.414 -2.125 -6.942 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.309 -0.225 -6.414 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.264 -1.017 -7.294 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.591 -1.295 -6.617 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.675 -1.404 -5.393 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.640 -1.414 -7.411 1.00 0.00 N ATOM 0 H GLN B 288 -15.795 0.754 -4.672 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.546 -1.565 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.831 0.647 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -16.487 0.145 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.441 -0.467 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -17.797 -1.962 -7.570 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.529 -1.317 -8.420 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.561 -1.603 -7.015 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.170 -2.830 -4.827 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.217 -3.880 -5.160 1.00 0.00 C ATOM 2000 C PHE B 289 -14.812 -5.243 -4.851 1.00 0.00 C ATOM 2001 O PHE B 289 -15.192 -5.513 -3.707 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.917 -3.704 -4.377 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.887 -2.834 -5.043 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.246 -1.832 -5.931 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.546 -3.020 -4.761 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.282 -1.033 -6.521 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.580 -2.228 -5.347 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.948 -1.232 -6.228 1.00 0.00 C ATOM 0 H PHE B 289 -15.374 -2.752 -3.831 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.997 -3.811 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.153 -3.280 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.481 -4.687 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.288 -1.673 -6.165 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.250 -3.797 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.573 -0.254 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.537 -2.388 -5.116 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.194 -0.610 -6.687 1.00 0.00 H new ATOM 2018 N LEU B 290 -14.893 -6.090 -5.876 1.00 0.00 N ATOM 2019 CA LEU B 290 -15.472 -7.424 -5.742 1.00 0.00 C ATOM 2020 C LEU B 290 -16.861 -7.330 -5.120 1.00 0.00 C ATOM 2021 O LEU B 290 -17.159 -7.982 -4.116 1.00 0.00 O ATOM 2022 CB LEU B 290 -14.569 -8.346 -4.903 1.00 0.00 C ATOM 2023 CG LEU B 290 -13.279 -8.841 -5.584 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -13.592 -9.514 -6.910 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -12.284 -7.708 -5.783 1.00 0.00 C ATOM 0 H LEU B 290 -14.562 -5.872 -6.816 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.555 -7.859 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -14.293 -7.817 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -15.153 -9.216 -4.603 1.00 0.00 H new ATOM 0 HG LEU B 290 -12.820 -9.576 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -12.666 -9.855 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -14.248 -10.367 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -14.087 -8.803 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -11.386 -8.093 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -12.731 -6.937 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -12.021 -7.281 -4.815 1.00 0.00 H new ATOM 2037 N GLN B 291 -17.701 -6.495 -5.715 1.00 0.00 N ATOM 2038 CA GLN B 291 -19.033 -6.243 -5.191 1.00 0.00 C ATOM 2039 C GLN B 291 -19.997 -7.345 -5.618 1.00 0.00 C ATOM 2040 O GLN B 291 -20.883 -7.140 -6.449 1.00 0.00 O ATOM 2041 CB GLN B 291 -19.527 -4.869 -5.658 1.00 0.00 C ATOM 2042 CG GLN B 291 -20.881 -4.467 -5.089 1.00 0.00 C ATOM 2043 CD GLN B 291 -20.919 -4.487 -3.573 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -19.909 -4.267 -2.903 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -22.090 -4.756 -3.019 1.00 0.00 N ATOM 0 H GLN B 291 -17.480 -5.978 -6.566 1.00 0.00 H new ATOM 0 HA GLN B 291 -18.989 -6.243 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -18.790 -4.116 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -19.588 -4.868 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -21.133 -3.466 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -21.645 -5.142 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -22.904 -4.933 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -22.179 -4.787 -2.003 1.00 0.00 H new ATOM 2054 N SER B 292 -19.799 -8.521 -5.052 1.00 0.00 N ATOM 2055 CA SER B 292 -20.671 -9.651 -5.296 1.00 0.00 C ATOM 2056 C SER B 292 -20.535 -10.633 -4.140 1.00 0.00 C ATOM 2057 O SER B 292 -21.315 -10.516 -3.169 1.00 0.00 O ATOM 2058 CB SER B 292 -20.324 -10.321 -6.633 1.00 0.00 C ATOM 2059 OG SER B 292 -21.341 -11.224 -7.043 1.00 0.00 O ATOM 2060 OXT SER B 292 -19.621 -11.486 -4.184 1.00 0.00 O ATOM 0 H SER B 292 -19.030 -8.718 -4.411 1.00 0.00 H new ATOM 0 HA SER B 292 -21.705 -9.312 -5.360 1.00 0.00 H new ATOM 0 HB2 SER B 292 -20.184 -9.557 -7.398 1.00 0.00 H new ATOM 0 HB3 SER B 292 -19.378 -10.855 -6.539 1.00 0.00 H new ATOM 0 HG SER B 292 -21.091 -11.633 -7.898 1.00 0.00 H new TER 2066 SER B 292