USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=30 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 Set 1.1: A 82 CYS SG : rot -166:sc= -1.41 USER MOD Set 1.2: A 86 ASN : amide:sc= -0.733 K(o=-2.1,f=-3.7!) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.255 K(o=-1.4,f=-5!) USER MOD Set 2.2: A 107 TYR OH : rot -131:sc= 0.923 USER MOD Set 2.3: A 110 MET CE :methyl 159:sc= -2.1 (180deg=-3.24!) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 161:sc= 1.55 (180deg=1.3) USER MOD Set 3.2: A 65 TYR OH : rot 78:sc= 0.334 USER MOD Set 4.1: A 54 SER OG : rot -88:sc= 1.17 USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0.00129 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.756 K(o=-0.54,f=-4.3!) USER MOD Set 5.2: A 25 TYR OH : rot -26:sc= 0.217 USER MOD Set 6.1: A 10 CYS SG : rot -21:sc= -2.51! USER MOD Set 6.2: A 60 MET CE :methyl -153:sc= -3.18 (180deg=-1.21) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.081 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.151 USER MOD Single : A 6 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc=-0.00687 (180deg=-0.102) USER MOD Single : A 9 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.42) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 32:sc= 0.918 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00618) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc=-0.00688 (180deg=-0.122) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.165 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0263) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-9.6e-05) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.114) 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= -0.0938 (180deg=-0.611) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.0081) USER MOD Single : A 78 MET CE :methyl -135:sc= -0.655 (180deg=-4.19!) USER MOD Single : A 80 SER OG : rot 76:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.2!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.984 USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0.111 (180deg=0.111) USER MOD Single : A 85 TYR OH : rot -114:sc= 0.541 USER MOD Single : A 90 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-4.8!) USER MOD Single : A 95 MET CE :methyl -116:sc= -1.16 (180deg=-3.65!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.002) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : B 282 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.0095) USER MOD Single : B 288 GLN : amide:sc= -0.305 K(o=-0.31,f=-0.98) USER MOD Single : B 291 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.0051) USER MOD Single : B 292 SER OG : rot 51:sc= 0.00173 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.588 12.937 -6.678 1.00 0.00 N ATOM 2 CA GLY A 1 19.528 12.162 -5.415 1.00 0.00 C ATOM 3 C GLY A 1 20.108 10.774 -5.580 1.00 0.00 C ATOM 4 O GLY A 1 20.254 10.290 -6.702 1.00 0.00 O ATOM 0 H1 GLY A 1 20.239 13.739 -6.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.928 12.323 -7.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.639 13.292 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.074 12.694 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.492 12.086 -5.084 1.00 0.00 H new ATOM 10 N LYS A 2 20.423 10.122 -4.470 1.00 0.00 N ATOM 11 CA LYS A 2 21.047 8.806 -4.504 1.00 0.00 C ATOM 12 C LYS A 2 20.261 7.815 -3.656 1.00 0.00 C ATOM 13 O LYS A 2 19.423 8.205 -2.844 1.00 0.00 O ATOM 14 CB LYS A 2 22.489 8.884 -3.988 1.00 0.00 C ATOM 15 CG LYS A 2 23.389 9.813 -4.789 1.00 0.00 C ATOM 16 CD LYS A 2 23.579 9.325 -6.216 1.00 0.00 C ATOM 17 CE LYS A 2 24.486 10.255 -7.004 1.00 0.00 C ATOM 18 NZ LYS A 2 24.693 9.779 -8.395 1.00 0.00 N ATOM 0 H LYS A 2 20.256 10.484 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 2 21.052 8.463 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.474 9.217 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.920 7.883 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.958 10.814 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.360 9.890 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.005 8.322 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.610 9.255 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.052 11.255 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.449 10.335 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.317 10.441 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.130 8.836 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.777 9.727 -8.884 1.00 0.00 H new ATOM 32 N LEU A 3 20.522 6.534 -3.867 1.00 0.00 N ATOM 33 CA LEU A 3 19.932 5.485 -3.052 1.00 0.00 C ATOM 34 C LEU A 3 20.982 4.890 -2.130 1.00 0.00 C ATOM 35 O LEU A 3 21.986 4.345 -2.590 1.00 0.00 O ATOM 36 CB LEU A 3 19.335 4.368 -3.918 1.00 0.00 C ATOM 37 CG LEU A 3 18.054 4.717 -4.672 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.666 3.576 -5.602 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.921 5.001 -3.697 1.00 0.00 C ATOM 0 H LEU A 3 21.143 6.195 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 3 19.131 5.935 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.087 4.057 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.134 3.508 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 3 18.236 5.613 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.751 3.836 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.467 3.403 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.501 2.671 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.016 5.248 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.740 4.119 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.194 5.840 -3.057 1.00 0.00 H new ATOM 51 N SER A 4 20.752 5.000 -0.835 1.00 0.00 N ATOM 52 CA SER A 4 21.632 4.388 0.142 1.00 0.00 C ATOM 53 C SER A 4 21.306 2.899 0.246 1.00 0.00 C ATOM 54 O SER A 4 20.376 2.425 -0.409 1.00 0.00 O ATOM 55 CB SER A 4 21.504 5.086 1.511 1.00 0.00 C ATOM 56 OG SER A 4 22.337 4.484 2.491 1.00 0.00 O ATOM 0 H SER A 4 19.963 5.508 -0.435 1.00 0.00 H new ATOM 0 HA SER A 4 22.667 4.503 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.767 6.139 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.466 5.047 1.843 1.00 0.00 H new ATOM 0 HG SER A 4 22.230 4.954 3.344 1.00 0.00 H new ATOM 62 N GLU A 5 22.051 2.170 1.059 1.00 0.00 N ATOM 63 CA GLU A 5 21.865 0.729 1.187 1.00 0.00 C ATOM 64 C GLU A 5 20.439 0.399 1.623 1.00 0.00 C ATOM 65 O GLU A 5 19.798 -0.499 1.073 1.00 0.00 O ATOM 66 CB GLU A 5 22.877 0.171 2.183 1.00 0.00 C ATOM 67 CG GLU A 5 24.310 0.497 1.806 1.00 0.00 C ATOM 68 CD GLU A 5 25.302 0.061 2.856 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.861 -1.046 2.728 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.534 0.828 3.810 1.00 0.00 O ATOM 0 H GLU A 5 22.794 2.551 1.644 1.00 0.00 H new ATOM 0 HA GLU A 5 22.028 0.265 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.666 0.574 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.759 -0.911 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.552 0.012 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.404 1.571 1.647 1.00 0.00 H new ATOM 77 N GLN A 6 19.944 1.158 2.592 1.00 0.00 N ATOM 78 CA GLN A 6 18.581 0.996 3.091 1.00 0.00 C ATOM 79 C GLN A 6 17.572 1.278 1.980 1.00 0.00 C ATOM 80 O GLN A 6 16.596 0.548 1.808 1.00 0.00 O ATOM 81 CB GLN A 6 18.328 1.948 4.270 1.00 0.00 C ATOM 82 CG GLN A 6 19.030 1.575 5.579 1.00 0.00 C ATOM 83 CD GLN A 6 20.493 1.212 5.415 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.364 2.077 5.439 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.773 -0.073 5.269 1.00 0.00 N ATOM 0 H GLN A 6 20.471 1.900 3.053 1.00 0.00 H new ATOM 0 HA GLN A 6 18.460 -0.033 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.645 2.950 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.255 1.994 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.950 2.412 6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.506 0.733 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.020 -0.761 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.742 -0.376 5.171 1.00 0.00 H new ATOM 94 N LEU A 7 17.833 2.327 1.208 1.00 0.00 N ATOM 95 CA LEU A 7 16.923 2.748 0.148 1.00 0.00 C ATOM 96 C LEU A 7 17.007 1.812 -1.056 1.00 0.00 C ATOM 97 O LEU A 7 16.056 1.673 -1.821 1.00 0.00 O ATOM 98 CB LEU A 7 17.226 4.184 -0.270 1.00 0.00 C ATOM 99 CG LEU A 7 17.013 5.222 0.827 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.543 6.574 0.385 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.540 5.322 1.190 1.00 0.00 C ATOM 0 H LEU A 7 18.670 2.903 1.297 1.00 0.00 H new ATOM 0 HA LEU A 7 15.906 2.702 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.261 4.239 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.597 4.441 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 7 17.564 4.905 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.384 7.304 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.609 6.495 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.017 6.895 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.408 6.068 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.968 5.616 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.187 4.354 1.546 1.00 0.00 H new ATOM 113 N LYS A 8 18.142 1.169 -1.232 1.00 0.00 N ATOM 114 CA LYS A 8 18.272 0.165 -2.270 1.00 0.00 C ATOM 115 C LYS A 8 17.473 -1.067 -1.883 1.00 0.00 C ATOM 116 O LYS A 8 16.872 -1.729 -2.732 1.00 0.00 O ATOM 117 CB LYS A 8 19.742 -0.180 -2.498 1.00 0.00 C ATOM 118 CG LYS A 8 19.973 -1.232 -3.574 1.00 0.00 C ATOM 119 CD LYS A 8 19.356 -0.829 -4.907 1.00 0.00 C ATOM 120 CE LYS A 8 19.966 0.449 -5.462 1.00 0.00 C ATOM 121 NZ LYS A 8 21.419 0.303 -5.744 1.00 0.00 N ATOM 0 H LYS A 8 18.983 1.321 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 8 17.877 0.558 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.279 0.728 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.171 -0.534 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.044 -1.390 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.548 -2.182 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.492 -1.636 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.282 -0.692 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.446 0.729 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.816 1.260 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.755 1.133 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.941 0.230 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.579 -0.556 -6.308 1.00 0.00 H new ATOM 135 N HIS A 9 17.441 -1.347 -0.590 1.00 0.00 N ATOM 136 CA HIS A 9 16.662 -2.459 -0.082 1.00 0.00 C ATOM 137 C HIS A 9 15.175 -2.143 -0.186 1.00 0.00 C ATOM 138 O HIS A 9 14.367 -3.030 -0.457 1.00 0.00 O ATOM 139 CB HIS A 9 17.035 -2.772 1.367 1.00 0.00 C ATOM 140 CG HIS A 9 16.951 -4.230 1.699 1.00 0.00 C ATOM 141 ND1 HIS A 9 18.041 -4.969 2.096 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.901 -5.087 1.690 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.670 -6.216 2.314 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.374 -6.317 2.076 1.00 0.00 N ATOM 0 H HIS A 9 17.945 -0.820 0.123 1.00 0.00 H new ATOM 0 HA HIS A 9 16.884 -3.338 -0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.049 -2.421 1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.375 -2.216 2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.881 -4.847 1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.317 -7.020 2.633 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.818 -7.167 2.164 1.00 0.00 H new ATOM 153 N CYS A 10 14.814 -0.874 0.017 1.00 0.00 N ATOM 154 CA CYS A 10 13.417 -0.469 -0.085 1.00 0.00 C ATOM 155 C CYS A 10 12.960 -0.530 -1.537 1.00 0.00 C ATOM 156 O CYS A 10 11.789 -0.791 -1.818 1.00 0.00 O ATOM 157 CB CYS A 10 13.180 0.934 0.511 1.00 0.00 C ATOM 158 SG CYS A 10 13.738 2.328 -0.489 1.00 0.00 S ATOM 0 H CYS A 10 15.462 -0.121 0.250 1.00 0.00 H new ATOM 0 HA CYS A 10 12.821 -1.168 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.112 1.051 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.680 0.984 1.478 1.00 0.00 H new ATOM 0 HG CYS A 10 14.630 1.920 -1.343 1.00 0.00 H new ATOM 164 N ASN A 11 13.899 -0.313 -2.456 1.00 0.00 N ATOM 165 CA ASN A 11 13.616 -0.432 -3.881 1.00 0.00 C ATOM 166 C ASN A 11 13.257 -1.877 -4.216 1.00 0.00 C ATOM 167 O ASN A 11 12.303 -2.143 -4.948 1.00 0.00 O ATOM 168 CB ASN A 11 14.834 0.012 -4.702 1.00 0.00 C ATOM 169 CG ASN A 11 14.574 0.011 -6.199 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.464 0.289 -6.657 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.600 -0.302 -6.975 1.00 0.00 N ATOM 0 H ASN A 11 14.861 -0.054 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 11 12.773 0.213 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.129 1.014 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.673 -0.649 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.486 -0.319 -7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.504 -0.526 -6.559 1.00 0.00 H new ATOM 178 N GLY A 12 14.011 -2.805 -3.635 1.00 0.00 N ATOM 179 CA GLY A 12 13.805 -4.219 -3.902 1.00 0.00 C ATOM 180 C GLY A 12 12.514 -4.746 -3.305 1.00 0.00 C ATOM 181 O GLY A 12 11.799 -5.522 -3.944 1.00 0.00 O ATOM 0 H GLY A 12 14.766 -2.602 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.796 -4.383 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.644 -4.786 -3.500 1.00 0.00 H new ATOM 185 N ILE A 13 12.220 -4.328 -2.079 1.00 0.00 N ATOM 186 CA ILE A 13 10.994 -4.733 -1.397 1.00 0.00 C ATOM 187 C ILE A 13 9.766 -4.275 -2.183 1.00 0.00 C ATOM 188 O ILE A 13 8.869 -5.069 -2.476 1.00 0.00 O ATOM 189 CB ILE A 13 10.941 -4.154 0.037 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.065 -4.748 0.899 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.583 -4.399 0.672 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.238 -4.074 2.243 1.00 0.00 C ATOM 0 H ILE A 13 12.817 -3.706 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 13 10.992 -5.821 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 13 11.091 -3.076 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.863 -5.807 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.003 -4.682 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.572 -3.983 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.809 -3.920 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.392 -5.471 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.051 -4.553 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.473 -3.020 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.315 -4.163 2.816 1.00 0.00 H new ATOM 204 N LEU A 14 9.752 -2.992 -2.534 1.00 0.00 N ATOM 205 CA LEU A 14 8.681 -2.410 -3.329 1.00 0.00 C ATOM 206 C LEU A 14 8.514 -3.175 -4.635 1.00 0.00 C ATOM 207 O LEU A 14 7.406 -3.536 -5.025 1.00 0.00 O ATOM 208 CB LEU A 14 9.019 -0.955 -3.638 1.00 0.00 C ATOM 209 CG LEU A 14 7.841 0.001 -3.659 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.366 1.415 -3.667 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.957 -0.226 -4.871 1.00 0.00 C ATOM 0 H LEU A 14 10.483 -2.329 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 14 7.750 -2.467 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.737 -0.602 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.515 -0.914 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 14 7.233 -0.176 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.529 2.114 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.965 1.586 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.983 1.569 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.124 0.477 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.539 -0.073 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.571 -1.245 -4.854 1.00 0.00 H new ATOM 223 N LYS A 15 9.641 -3.423 -5.286 1.00 0.00 N ATOM 224 CA LYS A 15 9.690 -4.121 -6.549 1.00 0.00 C ATOM 225 C LYS A 15 9.001 -5.481 -6.459 1.00 0.00 C ATOM 226 O LYS A 15 8.327 -5.916 -7.395 1.00 0.00 O ATOM 227 CB LYS A 15 11.161 -4.262 -6.945 1.00 0.00 C ATOM 228 CG LYS A 15 11.488 -5.555 -7.640 1.00 0.00 C ATOM 229 CD LYS A 15 11.201 -5.500 -9.124 1.00 0.00 C ATOM 230 CE LYS A 15 11.906 -6.633 -9.836 1.00 0.00 C ATOM 231 NZ LYS A 15 11.463 -6.766 -11.247 1.00 0.00 N ATOM 0 H LYS A 15 10.558 -3.138 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 15 9.152 -3.557 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.432 -3.432 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.777 -4.177 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.541 -5.792 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.910 -6.362 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.127 -5.565 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.532 -4.544 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.982 -6.464 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.716 -7.567 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.971 -7.554 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.440 -6.953 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.667 -5.884 -11.760 1.00 0.00 H new ATOM 245 N GLU A 16 9.144 -6.133 -5.321 1.00 0.00 N ATOM 246 CA GLU A 16 8.603 -7.474 -5.156 1.00 0.00 C ATOM 247 C GLU A 16 7.096 -7.428 -4.949 1.00 0.00 C ATOM 248 O GLU A 16 6.356 -8.237 -5.509 1.00 0.00 O ATOM 249 CB GLU A 16 9.261 -8.214 -3.984 1.00 0.00 C ATOM 250 CG GLU A 16 8.713 -9.624 -3.761 1.00 0.00 C ATOM 251 CD GLU A 16 9.020 -10.163 -2.395 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.106 -9.862 -1.868 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.189 -10.925 -1.855 1.00 0.00 O ATOM 0 H GLU A 16 9.626 -5.762 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 16 8.824 -8.021 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.335 -8.275 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.121 -7.631 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.633 -9.616 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.132 -10.294 -4.512 1.00 0.00 H new ATOM 260 N LEU A 17 6.649 -6.478 -4.144 1.00 0.00 N ATOM 261 CA LEU A 17 5.219 -6.263 -3.930 1.00 0.00 C ATOM 262 C LEU A 17 4.562 -5.857 -5.255 1.00 0.00 C ATOM 263 O LEU A 17 3.368 -6.068 -5.466 1.00 0.00 O ATOM 264 CB LEU A 17 5.012 -5.186 -2.855 1.00 0.00 C ATOM 265 CG LEU A 17 5.651 -5.483 -1.493 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.843 -4.194 -0.720 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.792 -6.445 -0.682 1.00 0.00 C ATOM 0 H LEU A 17 7.253 -5.840 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 17 4.752 -7.184 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.413 -4.243 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.941 -5.042 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 17 6.620 -5.951 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.297 -4.413 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.494 -3.525 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.876 -3.715 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.269 -6.638 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.809 -6.004 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.682 -7.383 -1.227 1.00 0.00 H new ATOM 279 N LEU A 18 5.374 -5.303 -6.152 1.00 0.00 N ATOM 280 CA LEU A 18 4.924 -4.914 -7.486 1.00 0.00 C ATOM 281 C LEU A 18 5.076 -6.051 -8.493 1.00 0.00 C ATOM 282 O LEU A 18 4.566 -5.971 -9.611 1.00 0.00 O ATOM 283 CB LEU A 18 5.725 -3.717 -7.980 1.00 0.00 C ATOM 284 CG LEU A 18 5.429 -2.401 -7.279 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.322 -1.313 -7.837 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.968 -2.019 -7.425 1.00 0.00 C ATOM 0 H LEU A 18 6.360 -5.111 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 18 3.867 -4.659 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.786 -3.939 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.538 -3.591 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 18 5.634 -2.521 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.107 -0.371 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.366 -1.581 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.137 -1.202 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.786 -1.074 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.724 -1.913 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.343 -2.796 -6.984 1.00 0.00 H new ATOM 298 N SER A 19 5.815 -7.082 -8.114 1.00 0.00 N ATOM 299 CA SER A 19 6.024 -8.234 -8.983 1.00 0.00 C ATOM 300 C SER A 19 4.744 -9.057 -9.134 1.00 0.00 C ATOM 301 O SER A 19 3.908 -9.124 -8.222 1.00 0.00 O ATOM 302 CB SER A 19 7.152 -9.113 -8.443 1.00 0.00 C ATOM 303 OG SER A 19 8.380 -8.399 -8.409 1.00 0.00 O ATOM 0 H SER A 19 6.282 -7.146 -7.209 1.00 0.00 H new ATOM 0 HA SER A 19 6.305 -7.860 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.900 -9.459 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.259 -9.999 -9.069 1.00 0.00 H new ATOM 0 HG SER A 19 8.202 -7.451 -8.236 1.00 0.00 H new ATOM 309 N LYS A 20 4.621 -9.704 -10.292 1.00 0.00 N ATOM 310 CA LYS A 20 3.422 -10.451 -10.655 1.00 0.00 C ATOM 311 C LYS A 20 3.191 -11.647 -9.737 1.00 0.00 C ATOM 312 O LYS A 20 2.132 -12.267 -9.778 1.00 0.00 O ATOM 313 CB LYS A 20 3.503 -10.900 -12.112 1.00 0.00 C ATOM 314 CG LYS A 20 3.377 -9.735 -13.087 1.00 0.00 C ATOM 315 CD LYS A 20 1.934 -9.267 -13.228 1.00 0.00 C ATOM 316 CE LYS A 20 1.841 -7.850 -13.789 1.00 0.00 C ATOM 317 NZ LYS A 20 2.161 -6.817 -12.764 1.00 0.00 N ATOM 0 H LYS A 20 5.351 -9.724 -11.004 1.00 0.00 H new ATOM 0 HA LYS A 20 2.569 -9.784 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.452 -11.410 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.713 -11.624 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.996 -8.906 -12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.759 -10.035 -14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.394 -9.951 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.445 -9.304 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.526 -7.749 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.836 -7.679 -14.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.036 -5.870 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.525 -6.928 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.146 -6.931 -12.452 1.00 0.00 H new ATOM 331 N LYS A 21 4.182 -11.956 -8.911 1.00 0.00 N ATOM 332 CA LYS A 21 4.046 -12.995 -7.899 1.00 0.00 C ATOM 333 C LYS A 21 2.983 -12.612 -6.872 1.00 0.00 C ATOM 334 O LYS A 21 2.219 -13.456 -6.403 1.00 0.00 O ATOM 335 CB LYS A 21 5.386 -13.218 -7.193 1.00 0.00 C ATOM 336 CG LYS A 21 5.287 -14.104 -5.963 1.00 0.00 C ATOM 337 CD LYS A 21 6.615 -14.223 -5.249 1.00 0.00 C ATOM 338 CE LYS A 21 6.580 -15.369 -4.261 1.00 0.00 C ATOM 339 NZ LYS A 21 6.670 -16.690 -4.940 1.00 0.00 N ATOM 0 H LYS A 21 5.094 -11.499 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 21 3.739 -13.917 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.088 -13.665 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.799 -12.252 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.542 -13.696 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.941 -15.095 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.412 -14.384 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.840 -13.292 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.405 -15.266 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.658 -15.321 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.881 -17.428 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.765 -16.903 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.428 -16.663 -5.652 1.00 0.00 H new ATOM 353 N HIS A 22 2.933 -11.332 -6.532 1.00 0.00 N ATOM 354 CA HIS A 22 2.019 -10.863 -5.499 1.00 0.00 C ATOM 355 C HIS A 22 0.845 -10.133 -6.120 1.00 0.00 C ATOM 356 O HIS A 22 -0.161 -9.913 -5.460 1.00 0.00 O ATOM 357 CB HIS A 22 2.740 -9.944 -4.500 1.00 0.00 C ATOM 358 CG HIS A 22 3.846 -10.623 -3.746 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.639 -11.413 -2.632 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.180 -10.616 -3.956 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.799 -11.860 -2.187 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.759 -11.389 -2.970 1.00 0.00 N ATOM 0 H HIS A 22 3.510 -10.604 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 22 1.649 -11.735 -4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.150 -9.089 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.013 -9.554 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.699 -10.100 -4.750 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.941 -12.501 -1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.757 -11.568 -2.862 1.00 0.00 H new ATOM 371 N ALA A 23 0.979 -9.791 -7.402 1.00 0.00 N ATOM 372 CA ALA A 23 -0.025 -9.015 -8.137 1.00 0.00 C ATOM 373 C ALA A 23 -1.447 -9.517 -7.919 1.00 0.00 C ATOM 374 O ALA A 23 -2.379 -8.720 -7.821 1.00 0.00 O ATOM 375 CB ALA A 23 0.309 -9.032 -9.614 1.00 0.00 C ATOM 0 H ALA A 23 1.791 -10.045 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 23 0.008 -7.997 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.436 -8.456 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.294 -8.592 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.310 -10.060 -9.975 1.00 0.00 H new ATOM 381 N ALA A 24 -1.596 -10.835 -7.826 1.00 0.00 N ATOM 382 CA ALA A 24 -2.894 -11.470 -7.606 1.00 0.00 C ATOM 383 C ALA A 24 -3.619 -10.884 -6.392 1.00 0.00 C ATOM 384 O ALA A 24 -4.848 -10.877 -6.337 1.00 0.00 O ATOM 385 CB ALA A 24 -2.701 -12.967 -7.430 1.00 0.00 C ATOM 0 H ALA A 24 -0.821 -11.494 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.517 -11.277 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.668 -13.442 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.240 -13.382 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.056 -13.152 -6.571 1.00 0.00 H new ATOM 391 N TYR A 25 -2.855 -10.399 -5.424 1.00 0.00 N ATOM 392 CA TYR A 25 -3.423 -9.798 -4.224 1.00 0.00 C ATOM 393 C TYR A 25 -2.675 -8.513 -3.858 1.00 0.00 C ATOM 394 O TYR A 25 -2.723 -8.056 -2.719 1.00 0.00 O ATOM 395 CB TYR A 25 -3.407 -10.810 -3.061 1.00 0.00 C ATOM 396 CG TYR A 25 -2.122 -11.601 -2.931 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.976 -11.032 -2.398 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.062 -12.926 -3.341 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.194 -11.759 -2.283 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.899 -13.659 -3.228 1.00 0.00 C ATOM 401 CZ TYR A 25 0.227 -13.069 -2.701 1.00 0.00 C ATOM 402 OH TYR A 25 1.393 -13.789 -2.586 1.00 0.00 O ATOM 0 H TYR A 25 -1.835 -10.410 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.461 -9.530 -4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.584 -10.275 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.235 -11.506 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.998 -10.004 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.943 -13.392 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.079 -11.300 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.872 -14.689 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 25 2.158 -13.177 -2.605 1.00 0.00 H new ATOM 412 N ALA A 26 -1.988 -7.933 -4.844 1.00 0.00 N ATOM 413 CA ALA A 26 -1.237 -6.693 -4.636 1.00 0.00 C ATOM 414 C ALA A 26 -1.778 -5.559 -5.508 1.00 0.00 C ATOM 415 O ALA A 26 -1.445 -4.388 -5.298 1.00 0.00 O ATOM 416 CB ALA A 26 0.247 -6.900 -4.928 1.00 0.00 C ATOM 0 H ALA A 26 -1.936 -8.302 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.359 -6.414 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.783 -5.965 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.645 -7.666 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.373 -7.217 -5.963 1.00 0.00 H new ATOM 422 N TRP A 27 -2.622 -5.899 -6.483 1.00 0.00 N ATOM 423 CA TRP A 27 -3.159 -4.896 -7.399 1.00 0.00 C ATOM 424 C TRP A 27 -3.890 -3.734 -6.686 1.00 0.00 C ATOM 425 O TRP A 27 -3.825 -2.609 -7.177 1.00 0.00 O ATOM 426 CB TRP A 27 -4.065 -5.523 -8.478 1.00 0.00 C ATOM 427 CG TRP A 27 -5.248 -6.292 -7.961 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.300 -7.630 -7.704 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.558 -5.777 -7.661 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.548 -7.978 -7.258 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.340 -6.863 -7.222 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.144 -4.507 -7.713 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.672 -6.719 -6.843 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.465 -4.367 -7.336 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.217 -5.467 -6.906 1.00 0.00 C ATOM 0 H TRP A 27 -2.945 -6.851 -6.657 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.286 -4.465 -7.889 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.427 -4.728 -9.131 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.461 -6.190 -9.093 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.476 -8.317 -7.833 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.840 -8.919 -6.995 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.573 -3.651 -8.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.254 -7.566 -6.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.927 -3.391 -7.374 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.248 -5.323 -6.618 1.00 0.00 H new ATOM 446 N PRO A 28 -4.597 -3.951 -5.533 1.00 0.00 N ATOM 447 CA PRO A 28 -5.235 -2.845 -4.801 1.00 0.00 C ATOM 448 C PRO A 28 -4.262 -1.724 -4.438 1.00 0.00 C ATOM 449 O PRO A 28 -4.679 -0.598 -4.166 1.00 0.00 O ATOM 450 CB PRO A 28 -5.769 -3.475 -3.504 1.00 0.00 C ATOM 451 CG PRO A 28 -5.321 -4.901 -3.498 1.00 0.00 C ATOM 452 CD PRO A 28 -4.886 -5.253 -4.897 1.00 0.00 C ATOM 0 HA PRO A 28 -6.005 -2.389 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.386 -2.946 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.856 -3.412 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.499 -5.040 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.131 -5.555 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.005 -5.895 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.668 -5.791 -5.432 1.00 0.00 H new ATOM 460 N PHE A 29 -2.972 -2.028 -4.429 1.00 0.00 N ATOM 461 CA PHE A 29 -1.977 -1.072 -3.949 1.00 0.00 C ATOM 462 C PHE A 29 -1.055 -0.589 -5.063 1.00 0.00 C ATOM 463 O PHE A 29 -0.249 0.321 -4.852 1.00 0.00 O ATOM 464 CB PHE A 29 -1.140 -1.693 -2.833 1.00 0.00 C ATOM 465 CG PHE A 29 -1.892 -2.709 -2.022 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.556 -4.050 -2.092 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.945 -2.328 -1.206 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.253 -4.990 -1.366 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.643 -3.266 -0.476 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.295 -4.598 -0.558 1.00 0.00 C ATOM 0 H PHE A 29 -2.590 -2.919 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.524 -0.209 -3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.260 -2.165 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.784 -0.902 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.738 -4.363 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.222 -1.286 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.982 -6.033 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.461 -2.958 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.841 -5.334 0.013 1.00 0.00 H new ATOM 480 N TYR A 30 -1.151 -1.215 -6.235 1.00 0.00 N ATOM 481 CA TYR A 30 -0.362 -0.794 -7.392 1.00 0.00 C ATOM 482 C TYR A 30 -0.589 0.679 -7.711 1.00 0.00 C ATOM 483 O TYR A 30 0.353 1.462 -7.754 1.00 0.00 O ATOM 484 CB TYR A 30 -0.690 -1.655 -8.619 1.00 0.00 C ATOM 485 CG TYR A 30 0.018 -2.991 -8.626 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.556 -3.502 -7.459 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.162 -3.732 -9.792 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.217 -4.707 -7.443 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.822 -4.946 -9.784 1.00 0.00 C ATOM 490 CZ TYR A 30 1.349 -5.426 -8.604 1.00 0.00 C ATOM 491 OH TYR A 30 2.010 -6.629 -8.584 1.00 0.00 O ATOM 0 H TYR A 30 -1.764 -2.012 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 30 0.689 -0.931 -7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.766 -1.823 -8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.421 -1.105 -9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.455 -2.942 -6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.247 -3.354 -10.717 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.631 -5.086 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.924 -5.515 -10.696 1.00 0.00 H new ATOM 0 HH TYR A 30 2.680 -6.646 -9.299 1.00 0.00 H new ATOM 501 N LYS A 31 -1.842 1.054 -7.909 1.00 0.00 N ATOM 502 CA LYS A 31 -2.185 2.414 -8.283 1.00 0.00 C ATOM 503 C LYS A 31 -3.380 2.902 -7.475 1.00 0.00 C ATOM 504 O LYS A 31 -4.125 2.086 -6.931 1.00 0.00 O ATOM 505 CB LYS A 31 -2.489 2.479 -9.780 1.00 0.00 C ATOM 506 CG LYS A 31 -1.244 2.423 -10.655 1.00 0.00 C ATOM 507 CD LYS A 31 -1.579 2.562 -12.133 1.00 0.00 C ATOM 508 CE LYS A 31 -2.461 1.425 -12.629 1.00 0.00 C ATOM 509 NZ LYS A 31 -1.744 0.122 -12.645 1.00 0.00 N ATOM 0 H LYS A 31 -2.643 0.430 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.338 3.065 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.148 1.652 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.032 3.400 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.559 3.219 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.726 1.479 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.085 3.513 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.656 2.584 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.341 1.345 -11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.816 1.655 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.349 -0.602 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.864 0.216 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.517 -0.161 -11.670 1.00 0.00 H new ATOM 523 N PRO A 32 -3.572 4.233 -7.382 1.00 0.00 N ATOM 524 CA PRO A 32 -4.686 4.839 -6.639 1.00 0.00 C ATOM 525 C PRO A 32 -6.037 4.226 -6.999 1.00 0.00 C ATOM 526 O PRO A 32 -6.277 3.855 -8.154 1.00 0.00 O ATOM 527 CB PRO A 32 -4.649 6.321 -7.062 1.00 0.00 C ATOM 528 CG PRO A 32 -3.669 6.400 -8.186 1.00 0.00 C ATOM 529 CD PRO A 32 -2.713 5.265 -7.977 1.00 0.00 C ATOM 0 HA PRO A 32 -4.577 4.683 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.635 6.662 -7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.343 6.957 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.172 6.315 -9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.147 7.357 -8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.267 4.932 -8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.893 5.542 -7.315 1.00 0.00 H new ATOM 537 N VAL A 33 -6.911 4.107 -6.003 1.00 0.00 N ATOM 538 CA VAL A 33 -8.244 3.566 -6.224 1.00 0.00 C ATOM 539 C VAL A 33 -9.031 4.509 -7.120 1.00 0.00 C ATOM 540 O VAL A 33 -8.838 5.727 -7.084 1.00 0.00 O ATOM 541 CB VAL A 33 -9.023 3.320 -4.895 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.075 2.999 -3.758 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.935 4.483 -4.522 1.00 0.00 C ATOM 0 H VAL A 33 -6.719 4.378 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.126 2.596 -6.706 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.665 2.457 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.646 2.832 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.507 2.101 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.389 3.833 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.451 4.256 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.339 5.387 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.668 4.639 -5.314 1.00 0.00 H new ATOM 553 N ASP A 34 -9.906 3.951 -7.929 1.00 0.00 N ATOM 554 CA ASP A 34 -10.701 4.752 -8.843 1.00 0.00 C ATOM 555 C ASP A 34 -11.970 5.188 -8.143 1.00 0.00 C ATOM 556 O ASP A 34 -13.064 4.810 -8.545 1.00 0.00 O ATOM 557 CB ASP A 34 -11.042 3.969 -10.117 1.00 0.00 C ATOM 558 CG ASP A 34 -9.813 3.471 -10.845 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.126 4.289 -11.493 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.529 2.257 -10.777 1.00 0.00 O ATOM 0 H ASP A 34 -10.087 2.948 -7.975 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.121 5.626 -9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.674 3.120 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.622 4.606 -10.785 1.00 0.00 H new ATOM 565 N ALA A 35 -11.802 5.984 -7.090 1.00 0.00 N ATOM 566 CA ALA A 35 -12.898 6.355 -6.198 1.00 0.00 C ATOM 567 C ALA A 35 -14.108 6.878 -6.970 1.00 0.00 C ATOM 568 O ALA A 35 -15.246 6.605 -6.605 1.00 0.00 O ATOM 569 CB ALA A 35 -12.422 7.375 -5.171 1.00 0.00 C ATOM 0 H ALA A 35 -10.903 6.390 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.219 5.455 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.249 7.642 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.613 6.946 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.063 8.267 -5.684 1.00 0.00 H new ATOM 575 N SER A 36 -13.855 7.599 -8.055 1.00 0.00 N ATOM 576 CA SER A 36 -14.925 8.108 -8.901 1.00 0.00 C ATOM 577 C SER A 36 -15.719 6.954 -9.526 1.00 0.00 C ATOM 578 O SER A 36 -16.943 6.893 -9.401 1.00 0.00 O ATOM 579 CB SER A 36 -14.346 9.013 -9.990 1.00 0.00 C ATOM 580 OG SER A 36 -15.369 9.573 -10.794 1.00 0.00 O ATOM 0 H SER A 36 -12.916 7.844 -8.370 1.00 0.00 H new ATOM 0 HA SER A 36 -15.608 8.693 -8.284 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.764 9.812 -9.530 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.662 8.440 -10.616 1.00 0.00 H new ATOM 0 HG SER A 36 -14.969 10.148 -11.480 1.00 0.00 H new ATOM 586 N ALA A 37 -15.015 6.023 -10.164 1.00 0.00 N ATOM 587 CA ALA A 37 -15.654 4.877 -10.809 1.00 0.00 C ATOM 588 C ALA A 37 -16.159 3.877 -9.771 1.00 0.00 C ATOM 589 O ALA A 37 -17.013 3.037 -10.056 1.00 0.00 O ATOM 590 CB ALA A 37 -14.676 4.202 -11.757 1.00 0.00 C ATOM 0 H ALA A 37 -13.999 6.039 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.511 5.237 -11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.160 3.349 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.360 4.913 -12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.805 3.859 -11.198 1.00 0.00 H new ATOM 596 N LEU A 38 -15.624 3.980 -8.567 1.00 0.00 N ATOM 597 CA LEU A 38 -16.014 3.116 -7.465 1.00 0.00 C ATOM 598 C LEU A 38 -17.246 3.674 -6.754 1.00 0.00 C ATOM 599 O LEU A 38 -17.856 2.998 -5.926 1.00 0.00 O ATOM 600 CB LEU A 38 -14.842 2.971 -6.489 1.00 0.00 C ATOM 601 CG LEU A 38 -13.646 2.175 -7.025 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.393 2.465 -6.212 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.948 0.688 -7.010 1.00 0.00 C ATOM 0 H LEU A 38 -14.907 4.664 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.272 2.132 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.499 3.966 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.203 2.488 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.467 2.486 -8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.559 1.889 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.160 3.528 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.562 2.186 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.089 0.138 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.156 0.369 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.817 0.487 -7.637 1.00 0.00 H new ATOM 615 N GLY A 39 -17.607 4.912 -7.085 1.00 0.00 N ATOM 616 CA GLY A 39 -18.772 5.544 -6.487 1.00 0.00 C ATOM 617 C GLY A 39 -18.455 6.176 -5.147 1.00 0.00 C ATOM 618 O GLY A 39 -19.339 6.675 -4.453 1.00 0.00 O ATOM 0 H GLY A 39 -17.110 5.492 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.158 6.306 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.560 4.802 -6.360 1.00 0.00 H new ATOM 622 N LEU A 40 -17.184 6.160 -4.795 1.00 0.00 N ATOM 623 CA LEU A 40 -16.720 6.670 -3.522 1.00 0.00 C ATOM 624 C LEU A 40 -16.449 8.171 -3.624 1.00 0.00 C ATOM 625 O LEU A 40 -15.353 8.587 -3.998 1.00 0.00 O ATOM 626 CB LEU A 40 -15.442 5.931 -3.119 1.00 0.00 C ATOM 627 CG LEU A 40 -15.429 4.425 -3.410 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.186 3.778 -2.827 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.686 3.746 -2.889 1.00 0.00 C ATOM 0 H LEU A 40 -16.441 5.790 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.487 6.507 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.599 6.390 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.280 6.078 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.410 4.296 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.196 2.710 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.299 4.230 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.170 3.929 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.643 2.680 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.756 3.888 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.561 4.182 -3.370 1.00 0.00 H new ATOM 641 N HIS A 41 -17.446 8.982 -3.292 1.00 0.00 N ATOM 642 CA HIS A 41 -17.329 10.435 -3.434 1.00 0.00 C ATOM 643 C HIS A 41 -16.660 11.055 -2.214 1.00 0.00 C ATOM 644 O HIS A 41 -16.399 12.257 -2.179 1.00 0.00 O ATOM 645 CB HIS A 41 -18.706 11.084 -3.625 1.00 0.00 C ATOM 646 CG HIS A 41 -19.503 10.533 -4.777 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.368 11.009 -6.062 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.454 9.557 -4.842 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.191 10.364 -6.862 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.859 9.479 -6.149 1.00 0.00 N ATOM 0 H HIS A 41 -18.342 8.664 -2.924 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.715 10.620 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.283 10.959 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.571 12.155 -3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.819 8.959 -4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.300 10.532 -7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.565 8.838 -6.512 1.00 0.00 H new ATOM 659 N ASP A 42 -16.382 10.233 -1.218 1.00 0.00 N ATOM 660 CA ASP A 42 -15.860 10.726 0.050 1.00 0.00 C ATOM 661 C ASP A 42 -14.533 10.067 0.391 1.00 0.00 C ATOM 662 O ASP A 42 -14.153 9.981 1.557 1.00 0.00 O ATOM 663 CB ASP A 42 -16.866 10.464 1.171 1.00 0.00 C ATOM 664 CG ASP A 42 -18.160 11.235 1.004 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.356 12.240 1.719 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.992 10.838 0.162 1.00 0.00 O ATOM 0 H ASP A 42 -16.508 9.222 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.697 11.799 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.088 9.398 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.413 10.729 2.126 1.00 0.00 H new ATOM 671 N TYR A 43 -13.817 9.612 -0.629 1.00 0.00 N ATOM 672 CA TYR A 43 -12.586 8.866 -0.414 1.00 0.00 C ATOM 673 C TYR A 43 -11.494 9.744 0.199 1.00 0.00 C ATOM 674 O TYR A 43 -10.797 9.319 1.117 1.00 0.00 O ATOM 675 CB TYR A 43 -12.115 8.234 -1.732 1.00 0.00 C ATOM 676 CG TYR A 43 -10.799 7.499 -1.642 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.753 6.187 -1.211 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.606 8.113 -2.000 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.562 5.500 -1.133 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.407 7.435 -1.925 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.390 6.128 -1.490 1.00 0.00 C ATOM 682 OH TYR A 43 -7.196 5.448 -1.419 1.00 0.00 O ATOM 0 H TYR A 43 -14.067 9.746 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.792 8.069 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.880 7.541 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.028 9.018 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.670 5.690 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.617 9.137 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.547 4.475 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.487 7.926 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.467 6.036 -1.707 1.00 0.00 H new ATOM 692 N HIS A 44 -11.374 10.979 -0.271 1.00 0.00 N ATOM 693 CA HIS A 44 -10.336 11.881 0.232 1.00 0.00 C ATOM 694 C HIS A 44 -10.767 12.541 1.537 1.00 0.00 C ATOM 695 O HIS A 44 -10.041 13.354 2.106 1.00 0.00 O ATOM 696 CB HIS A 44 -9.981 12.951 -0.805 1.00 0.00 C ATOM 697 CG HIS A 44 -9.071 12.460 -1.887 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.750 12.832 -1.983 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.301 11.628 -2.929 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.207 12.252 -3.036 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.126 11.513 -3.629 1.00 0.00 N ATOM 0 H HIS A 44 -11.974 11.380 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.448 11.279 0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.899 13.326 -1.257 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.508 13.793 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.237 11.144 -3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.182 12.363 -3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.986 10.950 -4.468 1.00 0.00 H new ATOM 710 N ASP A 45 -11.959 12.202 2.001 1.00 0.00 N ATOM 711 CA ASP A 45 -12.438 12.690 3.287 1.00 0.00 C ATOM 712 C ASP A 45 -12.068 11.715 4.394 1.00 0.00 C ATOM 713 O ASP A 45 -11.731 12.116 5.508 1.00 0.00 O ATOM 714 CB ASP A 45 -13.952 12.907 3.260 1.00 0.00 C ATOM 715 CG ASP A 45 -14.348 14.116 2.440 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.914 13.939 1.341 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.085 15.253 2.887 1.00 0.00 O ATOM 0 H ASP A 45 -12.612 11.592 1.509 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.958 13.648 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.436 12.020 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.317 13.028 4.280 1.00 0.00 H new ATOM 722 N ILE A 46 -12.139 10.432 4.081 1.00 0.00 N ATOM 723 CA ILE A 46 -11.778 9.391 5.031 1.00 0.00 C ATOM 724 C ILE A 46 -10.280 9.134 4.988 1.00 0.00 C ATOM 725 O ILE A 46 -9.613 9.112 6.024 1.00 0.00 O ATOM 726 CB ILE A 46 -12.544 8.074 4.751 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.986 8.150 5.244 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.856 6.873 5.386 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.857 9.131 4.493 1.00 0.00 C ATOM 0 H ILE A 46 -12.445 10.084 3.172 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.058 9.741 6.025 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.545 7.943 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.433 7.159 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.981 8.422 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.425 5.970 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.849 6.775 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.801 7.014 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.864 9.118 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.439 10.133 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.898 8.850 3.441 1.00 0.00 H new ATOM 741 N ILE A 47 -9.756 8.952 3.785 1.00 0.00 N ATOM 742 CA ILE A 47 -8.345 8.664 3.610 1.00 0.00 C ATOM 743 C ILE A 47 -7.531 9.945 3.718 1.00 0.00 C ATOM 744 O ILE A 47 -7.595 10.809 2.843 1.00 0.00 O ATOM 745 CB ILE A 47 -8.067 8.003 2.248 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.912 6.741 2.072 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.588 7.676 2.124 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.474 5.596 2.944 1.00 0.00 C ATOM 0 H ILE A 47 -10.289 8.999 2.917 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.053 7.970 4.398 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.342 8.703 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.953 6.977 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.870 6.429 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.399 7.208 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.005 8.593 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.299 6.991 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.119 4.735 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.443 5.332 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.543 5.889 3.992 1.00 0.00 H new ATOM 760 N LYS A 48 -6.774 10.068 4.797 1.00 0.00 N ATOM 761 CA LYS A 48 -5.982 11.264 5.035 1.00 0.00 C ATOM 762 C LYS A 48 -4.599 11.136 4.412 1.00 0.00 C ATOM 763 O LYS A 48 -3.985 12.130 4.024 1.00 0.00 O ATOM 764 CB LYS A 48 -5.869 11.528 6.532 1.00 0.00 C ATOM 765 CG LYS A 48 -7.195 11.899 7.173 1.00 0.00 C ATOM 766 CD LYS A 48 -7.703 13.241 6.677 1.00 0.00 C ATOM 767 CE LYS A 48 -9.198 13.370 6.864 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.619 13.105 8.266 1.00 0.00 N ATOM 0 H LYS A 48 -6.691 9.355 5.521 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.486 12.108 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.471 10.640 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.153 12.333 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.933 11.127 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.079 11.932 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.197 14.044 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.456 13.358 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.512 14.373 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.706 12.674 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.603 13.415 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.548 12.086 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.001 13.628 8.919 1.00 0.00 H new ATOM 782 N HIS A 49 -4.111 9.908 4.323 1.00 0.00 N ATOM 783 CA HIS A 49 -2.813 9.633 3.716 1.00 0.00 C ATOM 784 C HIS A 49 -2.947 8.657 2.542 1.00 0.00 C ATOM 785 O HIS A 49 -2.518 7.506 2.642 1.00 0.00 O ATOM 786 CB HIS A 49 -1.850 9.048 4.754 1.00 0.00 C ATOM 787 CG HIS A 49 -1.510 9.984 5.872 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.394 10.791 5.862 1.00 0.00 N ATOM 789 CD2 HIS A 49 -2.136 10.227 7.049 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.346 11.488 6.981 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.391 11.163 7.718 1.00 0.00 N ATOM 0 H HIS A 49 -4.597 9.079 4.666 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.417 10.578 3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.291 8.144 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.930 8.750 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.051 9.769 7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.418 12.203 7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.609 11.547 8.638 1.00 0.00 H new ATOM 800 N PRO A 50 -3.561 9.087 1.420 1.00 0.00 N ATOM 801 CA PRO A 50 -3.691 8.243 0.227 1.00 0.00 C ATOM 802 C PRO A 50 -2.341 7.980 -0.436 1.00 0.00 C ATOM 803 O PRO A 50 -1.772 8.856 -1.095 1.00 0.00 O ATOM 804 CB PRO A 50 -4.600 9.054 -0.700 1.00 0.00 C ATOM 805 CG PRO A 50 -4.438 10.466 -0.257 1.00 0.00 C ATOM 806 CD PRO A 50 -4.192 10.408 1.227 1.00 0.00 C ATOM 0 HA PRO A 50 -4.091 7.258 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.310 8.932 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.638 8.731 -0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.605 10.944 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.330 11.051 -0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.540 11.216 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.120 10.496 1.792 1.00 0.00 H new ATOM 814 N MET A 51 -1.831 6.775 -0.254 1.00 0.00 N ATOM 815 CA MET A 51 -0.542 6.401 -0.805 1.00 0.00 C ATOM 816 C MET A 51 -0.639 5.068 -1.529 1.00 0.00 C ATOM 817 O MET A 51 -1.414 4.197 -1.139 1.00 0.00 O ATOM 818 CB MET A 51 0.518 6.340 0.305 1.00 0.00 C ATOM 819 CG MET A 51 1.869 5.796 -0.155 1.00 0.00 C ATOM 820 SD MET A 51 2.519 6.690 -1.584 1.00 0.00 S ATOM 821 CE MET A 51 2.502 8.363 -0.963 1.00 0.00 C ATOM 0 H MET A 51 -2.294 6.035 0.274 1.00 0.00 H new ATOM 0 HA MET A 51 -0.240 7.160 -1.526 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.661 7.341 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.144 5.716 1.117 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.583 5.861 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.766 4.740 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.096 9.000 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.476 8.730 -0.934 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.923 8.382 0.042 1.00 0.00 H new ATOM 831 N ASP A 52 0.157 4.923 -2.579 1.00 0.00 N ATOM 832 CA ASP A 52 0.146 3.726 -3.408 1.00 0.00 C ATOM 833 C ASP A 52 1.583 3.286 -3.653 1.00 0.00 C ATOM 834 O ASP A 52 2.485 4.121 -3.620 1.00 0.00 O ATOM 835 CB ASP A 52 -0.556 4.006 -4.748 1.00 0.00 C ATOM 836 CG ASP A 52 -1.844 4.790 -4.577 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.839 6.014 -4.857 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.857 4.200 -4.152 1.00 0.00 O ATOM 0 H ASP A 52 0.827 5.630 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.402 2.935 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.119 4.561 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.773 3.061 -5.245 1.00 0.00 H new ATOM 843 N LEU A 53 1.814 2.000 -3.893 1.00 0.00 N ATOM 844 CA LEU A 53 3.178 1.507 -4.104 1.00 0.00 C ATOM 845 C LEU A 53 3.849 2.211 -5.277 1.00 0.00 C ATOM 846 O LEU A 53 5.047 2.506 -5.233 1.00 0.00 O ATOM 847 CB LEU A 53 3.188 -0.004 -4.307 1.00 0.00 C ATOM 848 CG LEU A 53 3.087 -0.816 -3.020 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.814 -2.266 -3.343 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.356 -0.688 -2.202 1.00 0.00 C ATOM 0 H LEU A 53 1.088 1.285 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 53 3.751 1.735 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.358 -0.276 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.105 -0.282 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 53 2.260 -0.424 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.744 -2.838 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.875 -2.346 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.626 -2.662 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.261 -1.275 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.202 -1.055 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.519 0.359 -1.945 1.00 0.00 H new ATOM 862 N SER A 54 3.073 2.504 -6.311 1.00 0.00 N ATOM 863 CA SER A 54 3.587 3.235 -7.462 1.00 0.00 C ATOM 864 C SER A 54 4.087 4.617 -7.043 1.00 0.00 C ATOM 865 O SER A 54 5.117 5.086 -7.529 1.00 0.00 O ATOM 866 CB SER A 54 2.505 3.374 -8.538 1.00 0.00 C ATOM 867 OG SER A 54 1.318 3.933 -7.998 1.00 0.00 O ATOM 0 H SER A 54 2.088 2.248 -6.377 1.00 0.00 H new ATOM 0 HA SER A 54 4.423 2.671 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.872 4.004 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.288 2.396 -8.968 1.00 0.00 H new ATOM 0 HG SER A 54 0.748 3.216 -7.649 1.00 0.00 H new ATOM 873 N THR A 55 3.364 5.250 -6.127 1.00 0.00 N ATOM 874 CA THR A 55 3.711 6.577 -5.651 1.00 0.00 C ATOM 875 C THR A 55 4.909 6.515 -4.711 1.00 0.00 C ATOM 876 O THR A 55 5.756 7.406 -4.718 1.00 0.00 O ATOM 877 CB THR A 55 2.529 7.234 -4.920 1.00 0.00 C ATOM 878 OG1 THR A 55 1.297 6.862 -5.552 1.00 0.00 O ATOM 879 CG2 THR A 55 2.674 8.744 -4.945 1.00 0.00 C ATOM 0 H THR A 55 2.526 4.858 -5.697 1.00 0.00 H new ATOM 0 HA THR A 55 3.964 7.179 -6.524 1.00 0.00 H new ATOM 0 HB THR A 55 2.523 6.892 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.548 7.282 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.831 9.199 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.603 9.029 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.692 9.091 -5.978 1.00 0.00 H new ATOM 887 N VAL A 56 4.976 5.454 -3.913 1.00 0.00 N ATOM 888 CA VAL A 56 6.112 5.240 -3.028 1.00 0.00 C ATOM 889 C VAL A 56 7.381 5.133 -3.855 1.00 0.00 C ATOM 890 O VAL A 56 8.398 5.756 -3.552 1.00 0.00 O ATOM 891 CB VAL A 56 5.956 3.959 -2.181 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.202 3.711 -1.344 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.734 4.053 -1.282 1.00 0.00 C ATOM 0 H VAL A 56 4.258 4.731 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 56 6.163 6.090 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 56 5.822 3.120 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.070 2.803 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.064 3.595 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.366 4.556 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.644 3.140 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.840 4.906 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.841 4.181 -1.894 1.00 0.00 H new ATOM 903 N LYS A 57 7.296 4.353 -4.923 1.00 0.00 N ATOM 904 CA LYS A 57 8.420 4.174 -5.821 1.00 0.00 C ATOM 905 C LYS A 57 8.734 5.475 -6.525 1.00 0.00 C ATOM 906 O LYS A 57 9.893 5.836 -6.689 1.00 0.00 O ATOM 907 CB LYS A 57 8.120 3.100 -6.854 1.00 0.00 C ATOM 908 CG LYS A 57 9.271 2.134 -7.049 1.00 0.00 C ATOM 909 CD LYS A 57 9.026 1.189 -8.205 1.00 0.00 C ATOM 910 CE LYS A 57 10.050 0.071 -8.196 1.00 0.00 C ATOM 911 NZ LYS A 57 9.894 -0.837 -9.363 1.00 0.00 N ATOM 0 H LYS A 57 6.458 3.835 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 57 9.281 3.862 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.234 2.545 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.885 3.574 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.189 2.694 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.421 1.559 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.021 0.772 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.081 1.734 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.053 0.498 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.952 -0.503 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.613 -1.587 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.946 -1.265 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.013 -0.295 -10.243 1.00 0.00 H new ATOM 925 N ARG A 58 7.684 6.171 -6.934 1.00 0.00 N ATOM 926 CA ARG A 58 7.819 7.469 -7.576 1.00 0.00 C ATOM 927 C ARG A 58 8.615 8.426 -6.696 1.00 0.00 C ATOM 928 O ARG A 58 9.584 9.044 -7.137 1.00 0.00 O ATOM 929 CB ARG A 58 6.436 8.050 -7.847 1.00 0.00 C ATOM 930 CG ARG A 58 6.473 9.393 -8.554 1.00 0.00 C ATOM 931 CD ARG A 58 5.086 9.966 -8.752 1.00 0.00 C ATOM 932 NE ARG A 58 5.136 11.317 -9.309 1.00 0.00 N ATOM 933 CZ ARG A 58 4.067 12.083 -9.513 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.847 11.616 -9.264 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.220 13.318 -9.973 1.00 0.00 N ATOM 0 H ARG A 58 6.720 5.854 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 58 8.354 7.339 -8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.866 7.345 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.905 8.160 -6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.075 10.092 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.961 9.280 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.516 9.318 -9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.560 9.985 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 58 6.049 11.697 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.726 10.665 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.032 12.208 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.154 13.677 -10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.403 13.908 -10.131 1.00 0.00 H new ATOM 949 N LYS A 59 8.205 8.527 -5.441 1.00 0.00 N ATOM 950 CA LYS A 59 8.852 9.415 -4.491 1.00 0.00 C ATOM 951 C LYS A 59 10.237 8.886 -4.113 1.00 0.00 C ATOM 952 O LYS A 59 11.142 9.659 -3.790 1.00 0.00 O ATOM 953 CB LYS A 59 7.967 9.594 -3.255 1.00 0.00 C ATOM 954 CG LYS A 59 6.650 10.294 -3.561 1.00 0.00 C ATOM 955 CD LYS A 59 5.624 10.138 -2.442 1.00 0.00 C ATOM 956 CE LYS A 59 6.154 10.609 -1.095 1.00 0.00 C ATOM 957 NZ LYS A 59 6.694 9.486 -0.284 1.00 0.00 N ATOM 0 H LYS A 59 7.421 8.000 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 59 8.990 10.391 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.760 8.617 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.511 10.168 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.838 11.354 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.236 9.892 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.727 10.704 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.329 9.091 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.937 11.351 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.354 11.102 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.320 9.862 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.908 8.968 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.232 8.842 -0.898 1.00 0.00 H new ATOM 971 N MET A 60 10.402 7.568 -4.164 1.00 0.00 N ATOM 972 CA MET A 60 11.710 6.956 -3.963 1.00 0.00 C ATOM 973 C MET A 60 12.635 7.305 -5.125 1.00 0.00 C ATOM 974 O MET A 60 13.823 7.551 -4.929 1.00 0.00 O ATOM 975 CB MET A 60 11.604 5.434 -3.835 1.00 0.00 C ATOM 976 CG MET A 60 12.944 4.753 -3.619 1.00 0.00 C ATOM 977 SD MET A 60 12.901 3.006 -4.042 1.00 0.00 S ATOM 978 CE MET A 60 11.547 2.466 -3.007 1.00 0.00 C ATOM 0 H MET A 60 9.648 6.905 -4.342 1.00 0.00 H new ATOM 0 HA MET A 60 12.120 7.350 -3.033 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.943 5.192 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.142 5.032 -4.737 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.703 5.251 -4.222 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.241 4.864 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.673 1.411 -2.764 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.536 3.051 -2.087 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.605 2.606 -3.537 1.00 0.00 H new ATOM 988 N GLU A 61 12.082 7.331 -6.335 1.00 0.00 N ATOM 989 CA GLU A 61 12.848 7.698 -7.522 1.00 0.00 C ATOM 990 C GLU A 61 13.286 9.153 -7.450 1.00 0.00 C ATOM 991 O GLU A 61 14.349 9.519 -7.947 1.00 0.00 O ATOM 992 CB GLU A 61 12.030 7.461 -8.792 1.00 0.00 C ATOM 993 CG GLU A 61 11.841 5.991 -9.135 1.00 0.00 C ATOM 994 CD GLU A 61 11.161 5.777 -10.474 1.00 0.00 C ATOM 995 OE1 GLU A 61 10.100 6.393 -10.716 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.677 4.978 -11.288 1.00 0.00 O ATOM 0 H GLU A 61 11.105 7.102 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 61 13.735 7.066 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.051 7.926 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.521 7.959 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.813 5.498 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.250 5.514 -8.353 1.00 0.00 H new ATOM 1003 N ASN A 62 12.469 9.976 -6.803 1.00 0.00 N ATOM 1004 CA ASN A 62 12.792 11.387 -6.611 1.00 0.00 C ATOM 1005 C ASN A 62 13.750 11.538 -5.441 1.00 0.00 C ATOM 1006 O ASN A 62 14.269 12.621 -5.168 1.00 0.00 O ATOM 1007 CB ASN A 62 11.527 12.218 -6.367 1.00 0.00 C ATOM 1008 CG ASN A 62 10.709 12.465 -7.626 1.00 0.00 C ATOM 1009 OD1 ASN A 62 9.996 13.464 -7.727 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.803 11.569 -8.596 1.00 0.00 N ATOM 0 H ASN A 62 11.576 9.691 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 62 13.266 11.757 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.903 11.708 -5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.810 13.177 -5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.275 11.695 -9.460 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.403 10.752 -8.480 1.00 0.00 H new ATOM 1017 N ARG A 63 13.983 10.409 -4.778 1.00 0.00 N ATOM 1018 CA ARG A 63 14.921 10.301 -3.671 1.00 0.00 C ATOM 1019 C ARG A 63 14.543 11.232 -2.527 1.00 0.00 C ATOM 1020 O ARG A 63 15.402 11.831 -1.880 1.00 0.00 O ATOM 1021 CB ARG A 63 16.339 10.573 -4.171 1.00 0.00 C ATOM 1022 CG ARG A 63 16.705 9.740 -5.389 1.00 0.00 C ATOM 1023 CD ARG A 63 16.848 8.264 -5.051 1.00 0.00 C ATOM 1024 NE ARG A 63 16.650 7.405 -6.222 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.588 7.134 -7.134 1.00 0.00 C ATOM 1026 NH1 ARG A 63 18.788 7.697 -7.054 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.320 6.300 -8.129 1.00 0.00 N ATOM 0 H ARG A 63 13.516 9.530 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 63 14.880 9.286 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.436 11.630 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.048 10.366 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.940 9.863 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.641 10.107 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.838 8.083 -4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.124 7.998 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 63 15.730 6.984 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.999 8.342 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.499 7.485 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.399 5.867 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.035 6.092 -8.826 1.00 0.00 H new ATOM 1041 N ASP A 64 13.241 11.343 -2.290 1.00 0.00 N ATOM 1042 CA ASP A 64 12.725 12.081 -1.133 1.00 0.00 C ATOM 1043 C ASP A 64 13.036 11.337 0.158 1.00 0.00 C ATOM 1044 O ASP A 64 13.065 11.921 1.242 1.00 0.00 O ATOM 1045 CB ASP A 64 11.209 12.274 -1.241 1.00 0.00 C ATOM 1046 CG ASP A 64 10.813 13.423 -2.142 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.010 13.320 -3.370 1.00 0.00 O ATOM 1048 OD2 ASP A 64 10.272 14.425 -1.625 1.00 0.00 O ATOM 0 H ASP A 64 12.519 10.932 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 64 13.213 13.056 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.759 11.355 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.800 12.445 -0.245 1.00 0.00 H new ATOM 1053 N TYR A 65 13.266 10.040 0.025 1.00 0.00 N ATOM 1054 CA TYR A 65 13.475 9.163 1.168 1.00 0.00 C ATOM 1055 C TYR A 65 14.926 9.219 1.603 1.00 0.00 C ATOM 1056 O TYR A 65 15.829 9.309 0.769 1.00 0.00 O ATOM 1057 CB TYR A 65 13.115 7.717 0.812 1.00 0.00 C ATOM 1058 CG TYR A 65 11.675 7.496 0.390 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.029 6.302 0.668 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.970 8.468 -0.300 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.720 6.091 0.273 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.671 8.266 -0.691 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.048 7.081 -0.405 1.00 0.00 C ATOM 1064 OH TYR A 65 7.748 6.891 -0.807 1.00 0.00 O ATOM 0 H TYR A 65 13.313 9.566 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 65 12.832 9.501 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.768 7.385 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.326 7.084 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.555 5.524 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.453 9.405 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.229 5.155 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.140 9.041 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 65 7.148 7.011 -0.041 1.00 0.00 H new ATOM 1074 N ARG A 66 15.152 9.182 2.903 1.00 0.00 N ATOM 1075 CA ARG A 66 16.505 9.171 3.429 1.00 0.00 C ATOM 1076 C ARG A 66 16.865 7.801 3.988 1.00 0.00 C ATOM 1077 O ARG A 66 18.040 7.433 4.018 1.00 0.00 O ATOM 1078 CB ARG A 66 16.670 10.251 4.503 1.00 0.00 C ATOM 1079 CG ARG A 66 16.580 11.681 3.977 1.00 0.00 C ATOM 1080 CD ARG A 66 15.854 12.575 4.955 1.00 0.00 C ATOM 1081 NE ARG A 66 14.434 12.246 5.066 1.00 0.00 N ATOM 1082 CZ ARG A 66 13.494 13.120 5.420 1.00 0.00 C ATOM 1083 NH1 ARG A 66 13.822 14.375 5.697 1.00 0.00 N ATOM 1084 NH2 ARG A 66 12.227 12.734 5.505 1.00 0.00 N ATOM 0 H ARG A 66 14.419 9.159 3.612 1.00 0.00 H new ATOM 0 HA ARG A 66 17.189 9.389 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.904 10.108 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.635 10.116 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.582 12.070 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.061 11.687 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.321 12.490 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.960 13.613 4.641 1.00 0.00 H new ATOM 0 HE ARG A 66 14.146 11.289 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.796 14.672 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.100 15.043 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.973 11.768 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.507 13.404 5.776 1.00 0.00 H new ATOM 1098 N ASP A 67 15.859 7.033 4.405 1.00 0.00 N ATOM 1099 CA ASP A 67 16.093 5.707 4.960 1.00 0.00 C ATOM 1100 C ASP A 67 14.928 4.800 4.617 1.00 0.00 C ATOM 1101 O ASP A 67 13.858 5.270 4.222 1.00 0.00 O ATOM 1102 CB ASP A 67 16.280 5.764 6.483 1.00 0.00 C ATOM 1103 CG ASP A 67 17.615 6.346 6.902 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.640 5.635 6.798 1.00 0.00 O ATOM 1105 OD2 ASP A 67 17.648 7.513 7.349 1.00 0.00 O ATOM 0 H ASP A 67 14.878 7.308 4.368 1.00 0.00 H new ATOM 0 HA ASP A 67 17.010 5.311 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.479 6.361 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.186 4.758 6.891 1.00 0.00 H new ATOM 1110 N ALA A 68 15.129 3.502 4.786 1.00 0.00 N ATOM 1111 CA ALA A 68 14.112 2.521 4.448 1.00 0.00 C ATOM 1112 C ALA A 68 12.970 2.570 5.445 1.00 0.00 C ATOM 1113 O ALA A 68 11.877 2.080 5.175 1.00 0.00 O ATOM 1114 CB ALA A 68 14.708 1.129 4.405 1.00 0.00 C ATOM 0 H ALA A 68 15.991 3.103 5.157 1.00 0.00 H new ATOM 0 HA ALA A 68 13.721 2.763 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.931 0.408 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.496 1.094 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.126 0.882 5.381 1.00 0.00 H new ATOM 1120 N GLN A 69 13.229 3.177 6.594 1.00 0.00 N ATOM 1121 CA GLN A 69 12.204 3.333 7.610 1.00 0.00 C ATOM 1122 C GLN A 69 11.191 4.374 7.149 1.00 0.00 C ATOM 1123 O GLN A 69 10.007 4.294 7.467 1.00 0.00 O ATOM 1124 CB GLN A 69 12.816 3.742 8.949 1.00 0.00 C ATOM 1125 CG GLN A 69 11.791 3.898 10.056 1.00 0.00 C ATOM 1126 CD GLN A 69 11.307 2.581 10.641 1.00 0.00 C ATOM 1127 OE1 GLN A 69 11.243 1.557 9.961 1.00 0.00 O ATOM 1128 NE2 GLN A 69 10.962 2.601 11.917 1.00 0.00 N ATOM 0 H GLN A 69 14.138 3.568 6.844 1.00 0.00 H new ATOM 0 HA GLN A 69 11.702 2.376 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.552 2.995 9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.351 4.683 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.223 4.501 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.934 4.448 9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.028 3.468 12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.630 1.749 12.369 1.00 0.00 H new ATOM 1137 N GLU A 70 11.672 5.345 6.379 1.00 0.00 N ATOM 1138 CA GLU A 70 10.807 6.347 5.782 1.00 0.00 C ATOM 1139 C GLU A 70 9.987 5.721 4.670 1.00 0.00 C ATOM 1140 O GLU A 70 8.838 6.102 4.436 1.00 0.00 O ATOM 1141 CB GLU A 70 11.624 7.516 5.245 1.00 0.00 C ATOM 1142 CG GLU A 70 12.304 8.321 6.337 1.00 0.00 C ATOM 1143 CD GLU A 70 13.254 9.362 5.792 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.059 9.815 4.643 1.00 0.00 O ATOM 1145 OE2 GLU A 70 14.199 9.738 6.510 1.00 0.00 O ATOM 0 H GLU A 70 12.661 5.456 6.155 1.00 0.00 H new ATOM 0 HA GLU A 70 10.134 6.729 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.380 7.137 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.972 8.173 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.545 8.812 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.851 7.645 6.993 1.00 0.00 H new ATOM 1152 N PHE A 71 10.590 4.759 3.988 1.00 0.00 N ATOM 1153 CA PHE A 71 9.872 3.957 3.015 1.00 0.00 C ATOM 1154 C PHE A 71 8.799 3.150 3.719 1.00 0.00 C ATOM 1155 O PHE A 71 7.627 3.219 3.356 1.00 0.00 O ATOM 1156 CB PHE A 71 10.822 3.021 2.253 1.00 0.00 C ATOM 1157 CG PHE A 71 10.142 1.788 1.705 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.499 1.821 0.482 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.143 0.599 2.423 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.870 0.694 -0.019 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.515 -0.527 1.930 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.876 -0.479 0.707 1.00 0.00 C ATOM 0 H PHE A 71 11.575 4.516 4.092 1.00 0.00 H new ATOM 0 HA PHE A 71 9.411 4.627 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.278 3.571 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.629 2.716 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.487 2.737 -0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.642 0.555 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.375 0.733 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.523 -1.444 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.382 -1.358 0.320 1.00 0.00 H new ATOM 1172 N ALA A 72 9.218 2.398 4.737 1.00 0.00 N ATOM 1173 CA ALA A 72 8.317 1.572 5.513 1.00 0.00 C ATOM 1174 C ALA A 72 7.159 2.400 6.036 1.00 0.00 C ATOM 1175 O ALA A 72 6.014 1.976 5.987 1.00 0.00 O ATOM 1176 CB ALA A 72 9.068 0.910 6.659 1.00 0.00 C ATOM 0 H ALA A 72 10.191 2.350 5.040 1.00 0.00 H new ATOM 0 HA ALA A 72 7.913 0.791 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.380 0.291 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.868 0.287 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.495 1.677 7.305 1.00 0.00 H new ATOM 1182 N ALA A 73 7.477 3.594 6.505 1.00 0.00 N ATOM 1183 CA ALA A 73 6.484 4.538 6.988 1.00 0.00 C ATOM 1184 C ALA A 73 5.428 4.832 5.921 1.00 0.00 C ATOM 1185 O ALA A 73 4.230 4.850 6.203 1.00 0.00 O ATOM 1186 CB ALA A 73 7.188 5.821 7.401 1.00 0.00 C ATOM 0 H ALA A 73 8.436 3.938 6.562 1.00 0.00 H new ATOM 0 HA ALA A 73 5.969 4.102 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.453 6.538 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.906 5.604 8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.711 6.242 6.542 1.00 0.00 H new ATOM 1192 N ASP A 74 5.882 5.042 4.695 1.00 0.00 N ATOM 1193 CA ASP A 74 4.997 5.433 3.602 1.00 0.00 C ATOM 1194 C ASP A 74 4.178 4.238 3.107 1.00 0.00 C ATOM 1195 O ASP A 74 2.957 4.328 2.947 1.00 0.00 O ATOM 1196 CB ASP A 74 5.824 6.026 2.457 1.00 0.00 C ATOM 1197 CG ASP A 74 5.115 7.160 1.743 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.379 7.924 2.407 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.338 7.333 0.529 1.00 0.00 O ATOM 0 H ASP A 74 6.862 4.948 4.429 1.00 0.00 H new ATOM 0 HA ASP A 74 4.300 6.187 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.773 6.389 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.057 5.240 1.739 1.00 0.00 H new ATOM 1204 N VAL A 75 4.850 3.109 2.893 1.00 0.00 N ATOM 1205 CA VAL A 75 4.182 1.903 2.405 1.00 0.00 C ATOM 1206 C VAL A 75 3.218 1.346 3.450 1.00 0.00 C ATOM 1207 O VAL A 75 2.119 0.897 3.117 1.00 0.00 O ATOM 1208 CB VAL A 75 5.195 0.807 1.981 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.243 0.571 3.049 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.499 -0.504 1.654 1.00 0.00 C ATOM 0 H VAL A 75 5.852 3.003 3.049 1.00 0.00 H new ATOM 0 HA VAL A 75 3.615 2.195 1.522 1.00 0.00 H new ATOM 0 HB VAL A 75 5.689 1.175 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.934 -0.203 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.793 1.495 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.757 0.251 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.241 -1.247 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.958 -0.858 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.798 -0.349 0.834 1.00 0.00 H new ATOM 1220 N ARG A 76 3.614 1.395 4.716 1.00 0.00 N ATOM 1221 CA ARG A 76 2.768 0.884 5.781 1.00 0.00 C ATOM 1222 C ARG A 76 1.532 1.765 5.930 1.00 0.00 C ATOM 1223 O ARG A 76 0.457 1.286 6.286 1.00 0.00 O ATOM 1224 CB ARG A 76 3.529 0.805 7.109 1.00 0.00 C ATOM 1225 CG ARG A 76 3.635 2.136 7.847 1.00 0.00 C ATOM 1226 CD ARG A 76 4.284 1.989 9.214 1.00 0.00 C ATOM 1227 NE ARG A 76 5.686 1.579 9.137 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.155 0.414 9.593 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.324 -0.520 10.047 1.00 0.00 N ATOM 1230 NH2 ARG A 76 7.459 0.179 9.576 1.00 0.00 N ATOM 0 H ARG A 76 4.506 1.780 5.026 1.00 0.00 H new ATOM 0 HA ARG A 76 2.459 -0.127 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.034 0.081 7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.533 0.427 6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.214 2.837 7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.639 2.564 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.217 2.938 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.728 1.256 9.798 1.00 0.00 H new ATOM 0 HE ARG A 76 6.349 2.224 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.318 -0.350 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.693 -1.406 10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.100 0.886 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.822 -0.709 9.923 1.00 0.00 H new ATOM 1244 N LEU A 77 1.692 3.053 5.640 1.00 0.00 N ATOM 1245 CA LEU A 77 0.585 3.991 5.692 1.00 0.00 C ATOM 1246 C LEU A 77 -0.439 3.664 4.614 1.00 0.00 C ATOM 1247 O LEU A 77 -1.637 3.891 4.788 1.00 0.00 O ATOM 1248 CB LEU A 77 1.098 5.422 5.532 1.00 0.00 C ATOM 1249 CG LEU A 77 0.811 6.348 6.711 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.324 7.742 6.423 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.676 6.369 7.011 1.00 0.00 C ATOM 0 H LEU A 77 2.583 3.468 5.366 1.00 0.00 H new ATOM 0 HA LEU A 77 0.098 3.905 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.175 5.389 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.653 5.853 4.635 1.00 0.00 H new ATOM 0 HG LEU A 77 1.332 5.970 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.112 8.391 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.400 7.706 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.830 8.135 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.868 7.033 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.219 6.727 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.011 5.362 7.259 1.00 0.00 H new ATOM 1263 N MET A 78 0.038 3.121 3.503 1.00 0.00 N ATOM 1264 CA MET A 78 -0.844 2.646 2.448 1.00 0.00 C ATOM 1265 C MET A 78 -1.720 1.498 2.957 1.00 0.00 C ATOM 1266 O MET A 78 -2.947 1.535 2.825 1.00 0.00 O ATOM 1267 CB MET A 78 -0.031 2.225 1.218 1.00 0.00 C ATOM 1268 CG MET A 78 -0.842 1.497 0.160 1.00 0.00 C ATOM 1269 SD MET A 78 -0.798 -0.291 0.378 1.00 0.00 S ATOM 1270 CE MET A 78 0.902 -0.640 -0.068 1.00 0.00 C ATOM 0 H MET A 78 1.032 2.999 3.309 1.00 0.00 H new ATOM 0 HA MET A 78 -1.503 3.461 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.417 3.112 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.788 1.582 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.876 1.840 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.457 1.750 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.934 -1.507 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.328 0.222 -0.581 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.479 -0.848 0.833 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.096 0.489 3.559 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.852 -0.611 4.159 1.00 0.00 C ATOM 1282 C PHE A 79 -2.807 -0.081 5.236 1.00 0.00 C ATOM 1283 O PHE A 79 -3.941 -0.556 5.381 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.917 -1.669 4.759 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.017 -2.337 3.754 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.545 -2.995 2.652 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.357 -2.314 3.915 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.283 -3.610 1.730 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.189 -2.928 3.001 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.656 -3.577 1.904 1.00 0.00 C ATOM 0 H PHE A 79 -0.083 0.408 3.645 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.435 -1.083 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.301 -1.200 5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.519 -2.431 5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.615 -3.027 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.785 -1.808 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.141 -4.115 0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.259 -2.901 3.144 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.306 -4.056 1.187 1.00 0.00 H new ATOM 1300 N SER A 80 -2.348 0.931 5.967 1.00 0.00 N ATOM 1301 CA SER A 80 -3.118 1.512 7.056 1.00 0.00 C ATOM 1302 C SER A 80 -4.390 2.202 6.559 1.00 0.00 C ATOM 1303 O SER A 80 -5.466 1.990 7.124 1.00 0.00 O ATOM 1304 CB SER A 80 -2.254 2.499 7.843 1.00 0.00 C ATOM 1305 OG SER A 80 -1.109 1.855 8.381 1.00 0.00 O ATOM 0 H SER A 80 -1.438 1.367 5.821 1.00 0.00 H new ATOM 0 HA SER A 80 -3.426 0.696 7.710 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.944 3.316 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.841 2.939 8.649 1.00 0.00 H new ATOM 0 HG SER A 80 -0.453 1.705 7.669 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.281 3.019 5.505 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.450 3.750 5.007 1.00 0.00 C ATOM 1313 C ASN A 81 -6.491 2.785 4.444 1.00 0.00 C ATOM 1314 O ASN A 81 -7.689 3.059 4.497 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.082 4.830 3.966 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.642 4.283 2.619 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.464 3.889 1.796 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.348 4.318 2.363 1.00 0.00 N ATOM 0 H ASN A 81 -3.416 3.188 4.991 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.880 4.274 5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.944 5.480 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.282 5.449 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.999 4.011 1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.696 4.652 3.073 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.041 1.639 3.948 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.976 0.615 3.464 1.00 0.00 C ATOM 1327 C CYS A 82 -7.857 0.122 4.607 1.00 0.00 C ATOM 1328 O CYS A 82 -9.082 0.052 4.463 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.271 -0.583 2.801 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.380 -1.963 2.442 1.00 0.00 S ATOM 0 H CYS A 82 -5.055 1.392 3.868 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.587 1.092 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.804 -0.252 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.471 -0.931 3.454 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.679 -3.020 2.156 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.241 -0.203 5.749 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.011 -0.628 6.922 1.00 0.00 C ATOM 1338 C TYR A 83 -8.859 0.525 7.449 1.00 0.00 C ATOM 1339 O TYR A 83 -9.873 0.319 8.118 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.109 -1.098 8.066 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.213 -2.283 7.766 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.685 -3.383 7.057 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.898 -2.320 8.234 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.876 -4.479 6.825 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.090 -3.411 7.997 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.582 -4.486 7.298 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.777 -5.574 7.076 1.00 0.00 O ATOM 0 H TYR A 83 -6.230 -0.181 5.885 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.638 -1.457 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.481 -0.262 8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.740 -1.352 8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.698 -3.380 6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.508 -1.481 8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.257 -5.327 6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.073 -3.421 8.360 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.896 -5.416 7.475 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.424 1.735 7.145 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.063 2.940 7.643 1.00 0.00 C ATOM 1359 C LYS A 84 -10.370 3.203 6.902 1.00 0.00 C ATOM 1360 O LYS A 84 -11.305 3.780 7.454 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.099 4.118 7.484 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.884 4.928 8.755 1.00 0.00 C ATOM 1363 CD LYS A 84 -9.106 5.748 9.144 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.333 6.905 8.187 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.387 7.833 8.672 1.00 0.00 N ATOM 0 H LYS A 84 -7.617 1.910 6.546 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.304 2.813 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.136 3.740 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.478 4.780 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.630 4.253 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.033 5.595 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.987 5.106 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.979 6.132 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.401 7.454 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.615 6.516 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.533 8.589 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.275 7.309 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.091 8.251 9.577 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.426 2.771 5.652 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.618 2.959 4.835 1.00 0.00 C ATOM 1381 C TYR A 85 -12.506 1.718 4.836 1.00 0.00 C ATOM 1382 O TYR A 85 -13.677 1.779 5.212 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.224 3.305 3.401 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.407 3.608 2.504 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.974 4.870 2.526 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.963 2.653 1.651 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.054 5.186 1.730 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.046 2.964 0.850 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.585 4.235 0.897 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.657 4.562 0.104 1.00 0.00 O ATOM 0 H TYR A 85 -9.662 2.288 5.180 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.186 3.782 5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.558 4.168 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.661 2.474 2.977 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.562 5.623 3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.542 1.659 1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.480 6.178 1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.468 2.218 0.192 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.442 4.049 0.388 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.942 0.596 4.415 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.709 -0.628 4.245 1.00 0.00 C ATOM 1402 C ASN A 86 -12.908 -1.326 5.582 1.00 0.00 C ATOM 1403 O ASN A 86 -11.969 -1.448 6.370 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.996 -1.574 3.269 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.795 -0.962 1.900 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.650 -1.085 1.021 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.654 -0.319 1.701 1.00 0.00 N ATOM 0 H ASN A 86 -10.952 0.508 4.184 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.685 -0.363 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.027 -1.853 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.576 -2.491 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.456 0.098 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.974 -0.241 2.457 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.141 -1.768 5.868 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.426 -2.569 7.059 1.00 0.00 C ATOM 1416 C PRO A 87 -13.733 -3.929 6.974 1.00 0.00 C ATOM 1417 O PRO A 87 -13.463 -4.426 5.878 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.951 -2.730 7.037 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.351 -2.486 5.624 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.350 -1.514 5.065 1.00 0.00 C ATOM 0 HA PRO A 87 -14.066 -2.104 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.246 -3.727 7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.431 -2.020 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.351 -3.415 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.361 -2.079 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.171 -1.687 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.691 -0.484 5.167 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.430 -4.533 8.145 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.644 -5.777 8.249 1.00 0.00 C ATOM 1430 C PRO A 88 -13.212 -6.926 7.423 1.00 0.00 C ATOM 1431 O PRO A 88 -12.509 -7.892 7.122 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.696 -6.126 9.743 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.780 -5.281 10.314 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.827 -4.041 9.473 1.00 0.00 C ATOM 0 HA PRO A 88 -11.636 -5.629 7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.906 -7.185 9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.742 -5.919 10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.736 -5.805 10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.576 -5.037 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.823 -3.599 9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.144 -3.276 9.842 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.485 -6.826 7.077 1.00 0.00 N ATOM 1443 CA ASP A 89 -15.116 -7.801 6.191 1.00 0.00 C ATOM 1444 C ASP A 89 -15.123 -7.278 4.760 1.00 0.00 C ATOM 1445 O ASP A 89 -16.172 -6.909 4.224 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.555 -8.135 6.630 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.619 -8.759 8.008 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.569 -8.018 9.012 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.725 -10.001 8.097 1.00 0.00 O ATOM 0 H ASP A 89 -15.105 -6.081 7.394 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.531 -8.719 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.153 -7.224 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -17.002 -8.817 5.906 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.945 -7.228 4.150 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.819 -6.760 2.776 1.00 0.00 C ATOM 1456 C HIS A 90 -12.542 -7.315 2.146 1.00 0.00 C ATOM 1457 O HIS A 90 -11.597 -7.649 2.854 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.795 -5.227 2.723 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.379 -4.658 1.455 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.629 -4.480 0.314 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.637 -4.236 1.135 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.385 -3.980 -0.640 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.604 -3.823 -0.172 1.00 0.00 N ATOM 0 H HIS A 90 -13.065 -7.505 4.585 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.683 -7.116 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.348 -4.834 3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.765 -4.884 2.825 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.497 -4.229 1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.059 -3.739 -1.641 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.397 -3.454 -0.697 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.510 -7.402 0.827 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.357 -7.965 0.116 1.00 0.00 C ATOM 1474 C ASP A 91 -10.072 -7.175 0.359 1.00 0.00 C ATOM 1475 O ASP A 91 -9.018 -7.756 0.617 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.628 -8.024 -1.388 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.565 -9.151 -1.778 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.726 -9.155 -1.321 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.140 -10.036 -2.552 1.00 0.00 O ATOM 0 H ASP A 91 -13.268 -7.091 0.219 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.215 -8.970 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.055 -7.075 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.683 -8.145 -1.917 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.160 -5.850 0.286 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.966 -5.008 0.307 1.00 0.00 C ATOM 1486 C VAL A 92 -8.237 -5.095 1.642 1.00 0.00 C ATOM 1487 O VAL A 92 -7.023 -4.927 1.694 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.266 -3.529 -0.019 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.260 -2.996 -1.023 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.679 -3.353 -0.543 1.00 0.00 C ATOM 0 H VAL A 92 -11.039 -5.338 0.212 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.322 -5.400 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.180 -2.959 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.484 -1.952 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.255 -3.072 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.317 -3.581 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.857 -2.300 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.805 -3.940 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.391 -3.692 0.209 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.964 -5.381 2.717 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.334 -5.491 4.027 1.00 0.00 C ATOM 1502 C VAL A 93 -7.608 -6.827 4.147 1.00 0.00 C ATOM 1503 O VAL A 93 -6.537 -6.914 4.741 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.346 -5.327 5.190 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.131 -4.036 5.038 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.295 -6.509 5.279 1.00 0.00 C ATOM 0 H VAL A 93 -9.972 -5.538 2.709 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.618 -4.674 4.109 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.773 -5.287 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.836 -3.939 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.444 -3.190 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.677 -4.051 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.989 -6.357 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.854 -6.597 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.724 -7.422 5.447 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.188 -7.860 3.547 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.577 -9.180 3.533 1.00 0.00 C ATOM 1518 C ALA A 94 -6.332 -9.180 2.656 1.00 0.00 C ATOM 1519 O ALA A 94 -5.308 -9.767 3.009 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.574 -10.221 3.049 1.00 0.00 C ATOM 0 H ALA A 94 -9.084 -7.806 3.063 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.280 -9.436 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.101 -11.203 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.436 -10.237 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.900 -9.971 2.040 1.00 0.00 H new ATOM 1526 N MET A 95 -6.423 -8.503 1.516 1.00 0.00 N ATOM 1527 CA MET A 95 -5.290 -8.393 0.608 1.00 0.00 C ATOM 1528 C MET A 95 -4.198 -7.522 1.226 1.00 0.00 C ATOM 1529 O MET A 95 -3.011 -7.816 1.082 1.00 0.00 O ATOM 1530 CB MET A 95 -5.726 -7.838 -0.758 1.00 0.00 C ATOM 1531 CG MET A 95 -6.650 -8.774 -1.541 1.00 0.00 C ATOM 1532 SD MET A 95 -6.941 -8.225 -3.240 1.00 0.00 S ATOM 1533 CE MET A 95 -8.320 -7.097 -3.043 1.00 0.00 C ATOM 0 H MET A 95 -7.267 -8.024 1.201 1.00 0.00 H new ATOM 0 HA MET A 95 -4.885 -9.392 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.233 -6.885 -0.607 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.838 -7.635 -1.357 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.215 -9.774 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.605 -8.850 -1.021 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.189 -7.489 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.556 -6.992 -1.984 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.055 -6.123 -3.454 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.600 -6.472 1.948 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.643 -5.600 2.626 1.00 0.00 C ATOM 1545 C ALA A 96 -2.940 -6.363 3.737 1.00 0.00 C ATOM 1546 O ALA A 96 -1.759 -6.156 4.000 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.333 -4.365 3.193 1.00 0.00 C ATOM 0 H ALA A 96 -5.577 -6.208 2.076 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.905 -5.270 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.597 -3.734 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.801 -3.806 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.095 -4.671 3.910 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.681 -7.261 4.367 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.182 -8.033 5.494 1.00 0.00 C ATOM 1555 C ARG A 97 -2.111 -9.026 5.049 1.00 0.00 C ATOM 1556 O ARG A 97 -1.059 -9.153 5.680 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.347 -8.773 6.148 1.00 0.00 C ATOM 1558 CG ARG A 97 -4.056 -9.279 7.546 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.251 -10.025 8.107 1.00 0.00 C ATOM 1560 NE ARG A 97 -5.037 -10.483 9.477 1.00 0.00 N ATOM 1561 CZ ARG A 97 -5.958 -11.124 10.195 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.155 -11.373 9.673 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -5.682 -11.516 11.429 1.00 0.00 N ATOM 0 H ARG A 97 -4.645 -7.475 4.112 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.726 -7.352 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.209 -8.107 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.625 -9.618 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.187 -9.937 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.806 -8.441 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.126 -9.376 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.470 -10.883 7.471 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.131 -10.302 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.369 -11.073 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.859 -11.864 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.764 -11.327 11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.388 -12.007 11.978 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.379 -9.716 3.950 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.469 -10.732 3.440 1.00 0.00 C ATOM 1579 C LYS A 98 -0.207 -10.087 2.859 1.00 0.00 C ATOM 1580 O LYS A 98 0.917 -10.558 3.086 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.189 -11.584 2.392 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.373 -12.761 1.890 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.136 -13.575 0.864 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.312 -14.758 0.400 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.106 -15.720 -0.406 1.00 0.00 N ATOM 0 H LYS A 98 -3.223 -9.590 3.392 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.157 -11.378 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.121 -11.956 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.456 -10.952 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.444 -12.398 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.099 -13.399 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.074 -13.925 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.392 -12.947 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.470 -14.401 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.897 -15.271 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.498 -16.511 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.895 -16.083 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.481 -15.240 -1.249 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.398 -9.008 2.109 1.00 0.00 N ATOM 1600 CA LEU A 99 0.718 -8.206 1.624 1.00 0.00 C ATOM 1601 C LEU A 99 1.479 -7.566 2.783 1.00 0.00 C ATOM 1602 O LEU A 99 2.681 -7.317 2.679 1.00 0.00 O ATOM 1603 CB LEU A 99 0.248 -7.111 0.665 1.00 0.00 C ATOM 1604 CG LEU A 99 0.336 -7.409 -0.839 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.910 -6.209 -1.554 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.201 -8.618 -1.145 1.00 0.00 C ATOM 0 H LEU A 99 -1.316 -8.668 1.823 1.00 0.00 H new ATOM 0 HA LEU A 99 1.383 -8.882 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.790 -6.877 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.832 -6.213 0.866 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.675 -7.627 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.974 -6.418 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.265 -5.345 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.906 -5.996 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.228 -8.783 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.213 -8.443 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.784 -9.497 -0.654 1.00 0.00 H new ATOM 1618 N GLN A 100 0.785 -7.291 3.880 1.00 0.00 N ATOM 1619 CA GLN A 100 1.443 -6.752 5.060 1.00 0.00 C ATOM 1620 C GLN A 100 2.429 -7.773 5.604 1.00 0.00 C ATOM 1621 O GLN A 100 3.493 -7.413 6.090 1.00 0.00 O ATOM 1622 CB GLN A 100 0.418 -6.357 6.143 1.00 0.00 C ATOM 1623 CG GLN A 100 1.022 -5.756 7.415 1.00 0.00 C ATOM 1624 CD GLN A 100 -0.014 -5.512 8.494 1.00 0.00 C ATOM 1625 OE1 GLN A 100 -0.265 -6.370 9.338 1.00 0.00 O ATOM 1626 NE2 GLN A 100 -0.625 -4.339 8.475 1.00 0.00 N ATOM 0 H GLN A 100 -0.221 -7.431 3.976 1.00 0.00 H new ATOM 0 HA GLN A 100 1.981 -5.848 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.281 -5.638 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.160 -7.240 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.791 -6.426 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.514 -4.815 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.389 -3.653 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.332 -4.121 9.177 1.00 0.00 H new ATOM 1635 N ASP A 101 2.074 -9.052 5.499 1.00 0.00 N ATOM 1636 CA ASP A 101 2.965 -10.124 5.931 1.00 0.00 C ATOM 1637 C ASP A 101 4.265 -10.101 5.146 1.00 0.00 C ATOM 1638 O ASP A 101 5.340 -9.975 5.729 1.00 0.00 O ATOM 1639 CB ASP A 101 2.309 -11.498 5.777 1.00 0.00 C ATOM 1640 CG ASP A 101 1.251 -11.770 6.820 1.00 0.00 C ATOM 1641 OD1 ASP A 101 0.157 -12.243 6.453 1.00 0.00 O ATOM 1642 OD2 ASP A 101 1.506 -11.515 8.016 1.00 0.00 O ATOM 0 H ASP A 101 1.181 -9.369 5.121 1.00 0.00 H new ATOM 0 HA ASP A 101 3.177 -9.953 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.861 -11.571 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.077 -12.269 5.837 1.00 0.00 H new ATOM 1647 N VAL A 102 4.165 -10.208 3.820 1.00 0.00 N ATOM 1648 CA VAL A 102 5.360 -10.245 2.972 1.00 0.00 C ATOM 1649 C VAL A 102 6.231 -9.008 3.185 1.00 0.00 C ATOM 1650 O VAL A 102 7.411 -9.131 3.502 1.00 0.00 O ATOM 1651 CB VAL A 102 5.021 -10.412 1.465 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.896 -9.503 1.040 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.240 -10.159 0.589 1.00 0.00 C ATOM 0 H VAL A 102 3.281 -10.270 3.314 1.00 0.00 H new ATOM 0 HA VAL A 102 5.922 -11.127 3.278 1.00 0.00 H new ATOM 0 HB VAL A 102 4.700 -11.445 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.690 -9.650 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.002 -9.735 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.181 -8.465 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.967 -10.284 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.600 -9.143 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.027 -10.868 0.846 1.00 0.00 H new ATOM 1663 N PHE A 103 5.639 -7.827 3.041 1.00 0.00 N ATOM 1664 CA PHE A 103 6.367 -6.570 3.232 1.00 0.00 C ATOM 1665 C PHE A 103 7.052 -6.522 4.604 1.00 0.00 C ATOM 1666 O PHE A 103 8.196 -6.073 4.722 1.00 0.00 O ATOM 1667 CB PHE A 103 5.430 -5.363 3.038 1.00 0.00 C ATOM 1668 CG PHE A 103 5.838 -4.141 3.831 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.048 -3.511 3.574 1.00 0.00 C ATOM 1670 CD2 PHE A 103 5.026 -3.631 4.846 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.445 -2.412 4.308 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.422 -2.526 5.577 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.632 -1.920 5.310 1.00 0.00 C ATOM 0 H PHE A 103 4.657 -7.710 2.793 1.00 0.00 H new ATOM 0 HA PHE A 103 7.149 -6.519 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.400 -5.105 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.418 -5.650 3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.688 -3.886 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.080 -4.104 5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.392 -1.936 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.784 -2.137 6.357 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.944 -1.060 5.885 1.00 0.00 H new ATOM 1683 N GLU A 104 6.376 -7.024 5.627 1.00 0.00 N ATOM 1684 CA GLU A 104 6.876 -6.939 6.978 1.00 0.00 C ATOM 1685 C GLU A 104 8.027 -7.919 7.183 1.00 0.00 C ATOM 1686 O GLU A 104 9.031 -7.583 7.811 1.00 0.00 O ATOM 1687 CB GLU A 104 5.725 -7.193 7.948 1.00 0.00 C ATOM 1688 CG GLU A 104 6.157 -7.667 9.308 1.00 0.00 C ATOM 1689 CD GLU A 104 4.995 -7.805 10.265 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.485 -8.934 10.433 1.00 0.00 O ATOM 1691 OE2 GLU A 104 4.585 -6.785 10.860 1.00 0.00 O ATOM 0 H GLU A 104 5.476 -7.495 5.539 1.00 0.00 H new ATOM 0 HA GLU A 104 7.273 -5.942 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.151 -6.273 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.055 -7.935 7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.661 -8.629 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.883 -6.966 9.721 1.00 0.00 H new ATOM 1698 N PHE A 105 7.892 -9.118 6.626 1.00 0.00 N ATOM 1699 CA PHE A 105 8.969 -10.098 6.676 1.00 0.00 C ATOM 1700 C PHE A 105 10.176 -9.614 5.882 1.00 0.00 C ATOM 1701 O PHE A 105 11.318 -9.897 6.244 1.00 0.00 O ATOM 1702 CB PHE A 105 8.514 -11.460 6.145 1.00 0.00 C ATOM 1703 CG PHE A 105 7.663 -12.236 7.109 1.00 0.00 C ATOM 1704 CD1 PHE A 105 6.390 -12.650 6.755 1.00 0.00 C ATOM 1705 CD2 PHE A 105 8.143 -12.557 8.370 1.00 0.00 C ATOM 1706 CE1 PHE A 105 5.611 -13.369 7.639 1.00 0.00 C ATOM 1707 CE2 PHE A 105 7.366 -13.275 9.259 1.00 0.00 C ATOM 1708 CZ PHE A 105 6.100 -13.682 8.892 1.00 0.00 C ATOM 0 H PHE A 105 7.053 -9.432 6.138 1.00 0.00 H new ATOM 0 HA PHE A 105 9.252 -10.215 7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.955 -11.310 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.393 -12.053 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.002 -12.408 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.135 -12.242 8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.620 -13.687 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.749 -13.517 10.239 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.492 -14.245 9.584 1.00 0.00 H new ATOM 1718 N ARG A 106 9.922 -8.878 4.805 1.00 0.00 N ATOM 1719 CA ARG A 106 10.994 -8.338 3.989 1.00 0.00 C ATOM 1720 C ARG A 106 11.785 -7.304 4.767 1.00 0.00 C ATOM 1721 O ARG A 106 13.015 -7.320 4.758 1.00 0.00 O ATOM 1722 CB ARG A 106 10.448 -7.707 2.708 1.00 0.00 C ATOM 1723 CG ARG A 106 9.744 -8.682 1.783 1.00 0.00 C ATOM 1724 CD ARG A 106 10.634 -9.849 1.401 1.00 0.00 C ATOM 1725 NE ARG A 106 9.922 -10.798 0.560 1.00 0.00 N ATOM 1726 CZ ARG A 106 9.745 -12.082 0.844 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.282 -12.618 1.933 1.00 0.00 N ATOM 1728 NH2 ARG A 106 9.036 -12.832 0.015 1.00 0.00 N ATOM 0 H ARG A 106 8.984 -8.644 4.481 1.00 0.00 H new ATOM 0 HA ARG A 106 11.651 -9.164 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.752 -6.912 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.271 -7.241 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.844 -9.057 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.425 -8.160 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.515 -9.481 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.987 -10.351 2.302 1.00 0.00 H new ATOM 0 HE ARG A 106 9.529 -10.450 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.839 -12.041 2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.138 -13.606 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.635 -12.421 -0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.891 -13.821 0.219 1.00 0.00 H new ATOM 1742 N TYR A 107 11.081 -6.411 5.450 1.00 0.00 N ATOM 1743 CA TYR A 107 11.751 -5.401 6.250 1.00 0.00 C ATOM 1744 C TYR A 107 12.416 -6.058 7.458 1.00 0.00 C ATOM 1745 O TYR A 107 13.464 -5.617 7.918 1.00 0.00 O ATOM 1746 CB TYR A 107 10.785 -4.298 6.703 1.00 0.00 C ATOM 1747 CG TYR A 107 11.502 -3.062 7.214 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.697 -1.961 6.390 1.00 0.00 C ATOM 1749 CD2 TYR A 107 12.009 -3.007 8.508 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.379 -0.845 6.838 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.685 -1.892 8.963 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.869 -0.815 8.125 1.00 0.00 C ATOM 1753 OH TYR A 107 13.563 0.289 8.569 1.00 0.00 O ATOM 0 H TYR A 107 10.062 -6.367 5.465 1.00 0.00 H new ATOM 0 HA TYR A 107 12.512 -4.929 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.141 -4.020 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.138 -4.688 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.309 -1.977 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.872 -3.851 9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.527 -0.000 6.182 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.068 -1.865 9.972 1.00 0.00 H new ATOM 0 HH TYR A 107 14.394 0.001 9.001 1.00 0.00 H new ATOM 1763 N ALA A 108 11.806 -7.128 7.956 1.00 0.00 N ATOM 1764 CA ALA A 108 12.370 -7.882 9.071 1.00 0.00 C ATOM 1765 C ALA A 108 13.697 -8.529 8.682 1.00 0.00 C ATOM 1766 O ALA A 108 14.611 -8.631 9.502 1.00 0.00 O ATOM 1767 CB ALA A 108 11.388 -8.937 9.551 1.00 0.00 C ATOM 0 H ALA A 108 10.921 -7.493 7.605 1.00 0.00 H new ATOM 0 HA ALA A 108 12.560 -7.184 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.825 -9.490 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.468 -8.455 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.166 -9.625 8.735 1.00 0.00 H new ATOM 1773 N LYS A 109 13.800 -8.960 7.429 1.00 0.00 N ATOM 1774 CA LYS A 109 15.038 -9.546 6.922 1.00 0.00 C ATOM 1775 C LYS A 109 16.026 -8.446 6.552 1.00 0.00 C ATOM 1776 O LYS A 109 17.237 -8.659 6.525 1.00 0.00 O ATOM 1777 CB LYS A 109 14.768 -10.425 5.697 1.00 0.00 C ATOM 1778 CG LYS A 109 15.108 -11.899 5.904 1.00 0.00 C ATOM 1779 CD LYS A 109 14.137 -12.600 6.847 1.00 0.00 C ATOM 1780 CE LYS A 109 12.740 -12.683 6.249 1.00 0.00 C ATOM 1781 NZ LYS A 109 11.786 -13.387 7.146 1.00 0.00 N ATOM 0 H LYS A 109 13.043 -8.915 6.746 1.00 0.00 H new ATOM 0 HA LYS A 109 15.464 -10.168 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.716 -10.340 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.346 -10.044 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.103 -12.408 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.119 -11.982 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.501 -13.604 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.097 -12.063 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.372 -11.677 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.787 -13.202 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.852 -13.435 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.130 -14.351 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.707 -12.869 8.044 1.00 0.00 H new ATOM 1795 N MET A 110 15.486 -7.276 6.252 1.00 0.00 N ATOM 1796 CA MET A 110 16.290 -6.104 5.922 1.00 0.00 C ATOM 1797 C MET A 110 16.970 -5.553 7.173 1.00 0.00 C ATOM 1798 O MET A 110 16.310 -5.285 8.173 1.00 0.00 O ATOM 1799 CB MET A 110 15.409 -5.025 5.261 1.00 0.00 C ATOM 1800 CG MET A 110 16.040 -3.639 5.204 1.00 0.00 C ATOM 1801 SD MET A 110 15.686 -2.665 6.678 1.00 0.00 S ATOM 1802 CE MET A 110 16.493 -1.130 6.258 1.00 0.00 C ATOM 0 H MET A 110 14.480 -7.109 6.230 1.00 0.00 H new ATOM 0 HA MET A 110 17.066 -6.399 5.215 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.168 -5.342 4.246 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.467 -4.959 5.806 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.119 -3.738 5.087 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.672 -3.110 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.074 -0.322 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.561 -1.214 6.458 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.338 -0.915 5.201 1.00 0.00 H new ATOM 1812 N PRO A 111 18.301 -5.411 7.157 1.00 0.00 N ATOM 1813 CA PRO A 111 19.019 -4.800 8.262 1.00 0.00 C ATOM 1814 C PRO A 111 19.087 -3.282 8.143 1.00 0.00 C ATOM 1815 O PRO A 111 19.190 -2.732 7.042 1.00 0.00 O ATOM 1816 CB PRO A 111 20.407 -5.410 8.153 1.00 0.00 C ATOM 1817 CG PRO A 111 20.591 -5.721 6.701 1.00 0.00 C ATOM 1818 CD PRO A 111 19.214 -5.861 6.091 1.00 0.00 C ATOM 0 HA PRO A 111 18.532 -4.983 9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.170 -4.716 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.489 -6.311 8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.151 -4.927 6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.162 -6.641 6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.111 -5.250 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 111 19.010 -6.891 5.800 1.00 0.00 H new ATOM 1826 N ASP A 112 19.034 -2.619 9.285 1.00 0.00 N ATOM 1827 CA ASP A 112 19.070 -1.163 9.337 1.00 0.00 C ATOM 1828 C ASP A 112 20.508 -0.682 9.433 1.00 0.00 C ATOM 1829 O ASP A 112 21.001 -0.058 8.476 1.00 0.00 O ATOM 1830 CB ASP A 112 18.280 -0.629 10.536 1.00 0.00 C ATOM 1831 CG ASP A 112 16.791 -0.899 10.451 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.338 -1.916 11.022 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.060 -0.080 9.846 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.153 -0.951 10.470 1.00 0.00 O ATOM 0 H ASP A 112 18.965 -3.068 10.198 1.00 0.00 H new ATOM 0 HA ASP A 112 18.612 -0.786 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 112 18.671 -1.080 11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 112 18.442 0.446 10.617 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -20.909 -2.736 11.653 1.00 0.00 N ATOM 1841 CA HIS B 281 -21.840 -1.756 12.264 1.00 0.00 C ATOM 1842 C HIS B 281 -22.231 -0.678 11.262 1.00 0.00 C ATOM 1843 O HIS B 281 -23.336 -0.136 11.322 1.00 0.00 O ATOM 1844 CB HIS B 281 -21.214 -1.103 13.499 1.00 0.00 C ATOM 1845 CG HIS B 281 -21.235 -1.961 14.728 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -20.135 -2.654 15.185 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -22.233 -2.226 15.604 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -20.455 -3.309 16.285 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -21.721 -3.064 16.562 1.00 0.00 N ATOM 0 HA HIS B 281 -22.735 -2.300 12.566 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -20.181 -0.839 13.272 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -21.741 -0.173 13.710 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -23.244 -1.848 15.557 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -19.793 -3.939 16.861 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -22.236 -3.437 17.359 1.00 0.00 H new ATOM 1860 N ASN B 282 -21.330 -0.365 10.341 1.00 0.00 N ATOM 1861 CA ASN B 282 -21.600 0.647 9.334 1.00 0.00 C ATOM 1862 C ASN B 282 -20.861 0.332 8.042 1.00 0.00 C ATOM 1863 O ASN B 282 -19.689 -0.049 8.053 1.00 0.00 O ATOM 1864 CB ASN B 282 -21.216 2.047 9.842 1.00 0.00 C ATOM 1865 CG ASN B 282 -19.720 2.233 10.047 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -19.179 1.905 11.103 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -19.045 2.785 9.049 1.00 0.00 N ATOM 0 H ASN B 282 -20.409 -0.797 10.272 1.00 0.00 H new ATOM 0 HA ASN B 282 -22.671 0.639 9.132 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -21.572 2.792 9.131 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -21.729 2.235 10.785 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -18.043 2.951 9.141 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -19.528 3.044 8.188 1.00 0.00 H new ATOM 1874 N LEU B 283 -21.565 0.458 6.932 1.00 0.00 N ATOM 1875 CA LEU B 283 -20.958 0.310 5.624 1.00 0.00 C ATOM 1876 C LEU B 283 -20.668 1.687 5.055 1.00 0.00 C ATOM 1877 O LEU B 283 -21.520 2.303 4.417 1.00 0.00 O ATOM 1878 CB LEU B 283 -21.858 -0.486 4.669 1.00 0.00 C ATOM 1879 CG LEU B 283 -21.888 -2.004 4.890 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -22.621 -2.361 6.173 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -22.532 -2.694 3.700 1.00 0.00 C ATOM 0 H LEU B 283 -22.564 0.664 6.912 1.00 0.00 H new ATOM 0 HA LEU B 283 -20.029 -0.250 5.732 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -22.875 -0.105 4.756 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -21.532 -0.293 3.647 1.00 0.00 H new ATOM 0 HG LEU B 283 -20.860 -2.352 4.987 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -22.625 -3.443 6.301 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -22.117 -1.897 7.021 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -23.648 -1.999 6.118 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -22.548 -3.771 3.868 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -23.552 -2.331 3.577 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -21.959 -2.476 2.799 1.00 0.00 H new ATOM 1893 N LEU B 284 -19.464 2.172 5.316 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.071 3.518 4.923 1.00 0.00 C ATOM 1895 C LEU B 284 -18.718 3.569 3.436 1.00 0.00 C ATOM 1896 O LEU B 284 -17.585 3.884 3.070 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.880 3.964 5.779 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.520 5.450 5.707 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -18.665 6.303 6.230 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -16.252 5.720 6.500 1.00 0.00 C ATOM 0 H LEU B 284 -18.736 1.649 5.803 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.907 4.198 5.086 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.090 3.712 6.818 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.007 3.384 5.481 1.00 0.00 H new ATOM 0 HG LEU B 284 -17.344 5.715 4.664 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -18.391 7.356 6.171 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -19.556 6.126 5.627 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -18.871 6.039 7.267 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -16.005 6.780 6.442 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.408 5.440 7.542 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.432 5.133 6.086 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.704 3.252 2.592 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.516 3.217 1.142 1.00 0.00 C ATOM 1914 C ARG B 285 -18.418 2.231 0.777 1.00 0.00 C ATOM 1915 O ARG B 285 -17.340 2.628 0.345 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.165 4.605 0.603 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.264 5.630 0.791 1.00 0.00 C ATOM 1918 CD ARG B 285 -19.710 7.038 0.710 1.00 0.00 C ATOM 1919 NE ARG B 285 -18.701 7.276 1.740 1.00 0.00 N ATOM 1920 CZ ARG B 285 -18.877 8.079 2.787 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.031 8.707 2.971 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -17.896 8.242 3.662 1.00 0.00 N ATOM 0 H ARG B 285 -20.649 3.014 2.894 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.453 2.895 0.688 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.262 4.959 1.099 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.934 4.524 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -21.030 5.492 0.028 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.746 5.479 1.757 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -19.272 7.202 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -20.522 7.757 0.821 1.00 0.00 H new ATOM 0 HE ARG B 285 -17.805 6.796 1.651 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.794 8.577 2.307 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -20.155 9.320 3.777 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -17.010 7.753 3.532 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -18.026 8.856 4.466 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.693 0.949 0.959 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.698 -0.081 0.716 1.00 0.00 C ATOM 1938 C ILE B 286 -17.134 0.021 -0.701 1.00 0.00 C ATOM 1939 O ILE B 286 -17.874 0.027 -1.687 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.262 -1.501 0.965 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.450 -1.794 0.041 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.666 -1.654 2.425 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.076 -3.154 0.255 1.00 0.00 C ATOM 0 H ILE B 286 -19.597 0.598 1.274 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.890 0.087 1.428 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.480 -2.225 0.739 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -20.211 -1.028 0.191 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.119 -1.717 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.062 -2.656 2.590 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.795 -1.498 3.062 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.431 -0.917 2.670 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.909 -3.284 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -19.331 -3.930 0.076 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.440 -3.230 1.280 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.372 2.203 0.577 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.752 1.680 -0.346 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.224 1.605 -0.276 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.368 1.178 -1.407 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.815 1.194 -1.589 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.256 0.214 -2.664 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.735 0.347 -2.990 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.603 0.135 -1.763 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.098 0.218 -2.040 1.00 0.00 C HETATM 1964 N ALY B 287 -15.815 0.158 -0.774 1.00 0.00 N HETATM 1965 C ALY B 287 -15.525 -0.941 -2.939 1.00 0.00 C HETATM 1966 O ALY B 287 -15.549 -2.091 -2.500 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.813 2.612 -0.212 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.928 1.035 0.605 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.842 1.114 -1.171 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.797 0.756 -2.139 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.005 -0.379 -3.757 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -12.928 1.336 -3.406 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.137 2.200 -1.859 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.303 0.945 -0.647 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.049 -0.804 -2.333 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.670 0.381 -3.568 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.328 1.155 -2.547 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.341 0.880 -1.012 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.377 -0.842 -1.335 1.00 0.00 H new HETATM 0 H ALY B 287 -15.298 0.074 0.101 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.856 -0.650 -4.188 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.358 -1.677 -5.093 1.00 0.00 C ATOM 1983 C GLN B 288 -15.232 -2.539 -5.660 1.00 0.00 C ATOM 1984 O GLN B 288 -15.009 -2.589 -6.867 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.185 -1.054 -6.217 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.531 -0.527 -5.746 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.375 -1.600 -5.080 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.278 -2.782 -5.410 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.206 -1.199 -4.132 1.00 0.00 N ATOM 0 H GLN B 288 -15.787 0.282 -4.597 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.005 -2.333 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.619 -0.238 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.346 -1.798 -6.997 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.372 0.292 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.075 -0.117 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.259 -0.211 -3.885 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -20.793 -1.878 -3.648 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.530 -3.219 -4.765 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.511 -4.191 -5.144 1.00 0.00 C ATOM 2000 C PHE B 289 -14.080 -5.597 -5.027 1.00 0.00 C ATOM 2001 O PHE B 289 -13.346 -6.573 -4.872 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.270 -4.053 -4.256 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.308 -2.982 -4.690 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.689 -1.992 -5.581 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.013 -2.974 -4.202 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.793 -1.016 -5.977 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.115 -2.001 -4.591 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.505 -1.019 -5.480 1.00 0.00 C ATOM 0 H PHE B 289 -14.649 -3.114 -3.757 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.215 -4.002 -6.176 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.591 -3.844 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -11.745 -5.008 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.696 -1.982 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.701 -3.740 -3.507 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.101 -0.251 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.108 -2.008 -4.200 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.805 -0.256 -5.786 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.399 -5.680 -5.078 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.099 -6.950 -5.007 1.00 0.00 C ATOM 2020 C LEU B 290 -17.041 -7.067 -6.196 1.00 0.00 C ATOM 2021 O LEU B 290 -18.262 -7.082 -6.049 1.00 0.00 O ATOM 2022 CB LEU B 290 -16.876 -7.060 -3.691 1.00 0.00 C ATOM 2023 CG LEU B 290 -17.543 -8.414 -3.434 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -16.501 -9.516 -3.325 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -18.391 -8.357 -2.175 1.00 0.00 C ATOM 0 H LEU B 290 -16.013 -4.870 -5.170 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.376 -7.765 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -16.194 -6.848 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -17.644 -6.287 -3.676 1.00 0.00 H new ATOM 0 HG LEU B 290 -18.192 -8.641 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -16.997 -10.469 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -15.934 -9.574 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -15.823 -9.296 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.858 -9.327 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -17.760 -8.105 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -19.164 -7.597 -2.291 1.00 0.00 H new ATOM 2037 N GLN B 291 -16.456 -7.115 -7.379 1.00 0.00 N ATOM 2038 CA GLN B 291 -17.223 -7.176 -8.613 1.00 0.00 C ATOM 2039 C GLN B 291 -17.188 -8.585 -9.190 1.00 0.00 C ATOM 2040 O GLN B 291 -17.817 -8.870 -10.210 1.00 0.00 O ATOM 2041 CB GLN B 291 -16.666 -6.173 -9.620 1.00 0.00 C ATOM 2042 CG GLN B 291 -16.756 -4.732 -9.148 1.00 0.00 C ATOM 2043 CD GLN B 291 -16.166 -3.749 -10.141 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -16.622 -2.608 -10.246 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -15.145 -4.176 -10.870 1.00 0.00 N ATOM 0 H GLN B 291 -15.445 -7.113 -7.513 1.00 0.00 H new ATOM 0 HA GLN B 291 -18.260 -6.920 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -15.623 -6.416 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -17.208 -6.274 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -17.801 -4.478 -8.970 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -16.237 -4.634 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -14.797 -5.128 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -14.707 -3.553 -11.548 1.00 0.00 H new ATOM 2054 N SER B 292 -16.445 -9.455 -8.524 1.00 0.00 N ATOM 2055 CA SER B 292 -16.334 -10.843 -8.924 1.00 0.00 C ATOM 2056 C SER B 292 -16.299 -11.744 -7.690 1.00 0.00 C ATOM 2057 O SER B 292 -15.223 -11.882 -7.073 1.00 0.00 O ATOM 2058 CB SER B 292 -15.093 -11.043 -9.803 1.00 0.00 C ATOM 2059 OG SER B 292 -13.995 -10.270 -9.337 1.00 0.00 O ATOM 2060 OXT SER B 292 -17.367 -12.284 -7.324 1.00 0.00 O ATOM 0 H SER B 292 -15.904 -9.216 -7.693 1.00 0.00 H new ATOM 0 HA SER B 292 -17.208 -11.118 -9.514 1.00 0.00 H new ATOM 0 HB2 SER B 292 -14.819 -12.098 -9.813 1.00 0.00 H new ATOM 0 HB3 SER B 292 -15.325 -10.765 -10.831 1.00 0.00 H new ATOM 0 HG SER B 292 -13.861 -10.436 -8.381 1.00 0.00 H new TER 2066 SER B 292