USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=27 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 69 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.66) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 TYR OH : rot 150:sc=-0.00974 USER MOD Set 2.2: A 100 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.011) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 167:sc= 2.11 (180deg=1.46) USER MOD Set 3.2: A 65 TYR OH : rot 60:sc= -0.159 USER MOD Set 4.1: A 54 SER OG : rot -87:sc= 1.19 USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.0888 K(o=0.27,f=-2.6) USER MOD Set 5.2: A 25 TYR OH : rot -26:sc= 0.362 USER MOD Set 6.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 19 SER OG : rot 26:sc= 1.06 USER MOD Set 7.1: A 10 CYS SG : rot -14:sc= -3.94! USER MOD Set 7.2: A 60 MET CE :methyl -149:sc= -5.09 (180deg=-2) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0483 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= -0.0288 (180deg=-0.211) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.063) USER MOD Single : A 11 ASN : amide:sc= 1.33 K(o=1.3,f=-0.0073) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -138:sc= -0.446 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -0.0178 (180deg=-0.152) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.3) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.0795 (180deg=-1.03) USER MOD Single : A 57 LYS NZ :NH3+ 125:sc= -0.261 (180deg=-1.43!) USER MOD Single : A 62 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.018) USER MOD Single : A 78 MET CE :methyl -146:sc= -1.26 (180deg=-3.11!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.71! C(o=-3.7!,f=-3.5!) USER MOD Single : A 82 CYS SG : rot 76:sc= -0.442! USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.05) USER MOD Single : A 85 TYR OH : rot -102:sc= 0.216 USER MOD Single : A 86 ASN : amide:sc= -7.58! C(o=-7.6!,f=-5!) USER MOD Single : A 90 HIS : no HD1:sc= -0.608 K(o=-0.61,f=-2.5) USER MOD Single : A 95 MET CE :methyl -106:sc= -1.95 (180deg=-4.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 154:sc= -0.712 (180deg=-2.25!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 282 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.2) USER MOD Single : B 288 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : B 291 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 292 SER OG : rot 49:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.774 9.289 -2.402 1.00 0.00 N ATOM 2 CA GLY A 1 23.449 9.299 -3.066 1.00 0.00 C ATOM 3 C GLY A 1 23.215 8.055 -3.893 1.00 0.00 C ATOM 4 O GLY A 1 23.818 7.013 -3.633 1.00 0.00 O ATOM 0 H1 GLY A 1 24.658 9.508 -1.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.207 8.349 -2.505 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.388 10.003 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.667 9.384 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.372 10.178 -3.706 1.00 0.00 H new ATOM 10 N LYS A 2 22.337 8.173 -4.889 1.00 0.00 N ATOM 11 CA LYS A 2 21.993 7.062 -5.779 1.00 0.00 C ATOM 12 C LYS A 2 21.407 5.888 -5.000 1.00 0.00 C ATOM 13 O LYS A 2 21.746 4.736 -5.262 1.00 0.00 O ATOM 14 CB LYS A 2 23.214 6.605 -6.587 1.00 0.00 C ATOM 15 CG LYS A 2 23.827 7.698 -7.447 1.00 0.00 C ATOM 16 CD LYS A 2 22.833 8.255 -8.453 1.00 0.00 C ATOM 17 CE LYS A 2 23.477 9.306 -9.343 1.00 0.00 C ATOM 18 NZ LYS A 2 24.016 10.451 -8.560 1.00 0.00 N ATOM 0 H LYS A 2 21.844 9.040 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 2 21.234 7.424 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.972 6.229 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.923 5.773 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.186 8.504 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.694 7.301 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.442 7.444 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.985 8.692 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.283 8.849 -9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.742 9.672 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.275 11.223 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.292 10.787 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.858 10.145 -8.032 1.00 0.00 H new ATOM 32 N LEU A 3 20.517 6.197 -4.055 1.00 0.00 N ATOM 33 CA LEU A 3 19.873 5.188 -3.212 1.00 0.00 C ATOM 34 C LEU A 3 20.877 4.538 -2.267 1.00 0.00 C ATOM 35 O LEU A 3 21.708 3.731 -2.683 1.00 0.00 O ATOM 36 CB LEU A 3 19.185 4.096 -4.047 1.00 0.00 C ATOM 37 CG LEU A 3 17.948 4.529 -4.835 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.480 3.397 -5.737 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.828 4.942 -3.890 1.00 0.00 C ATOM 0 H LEU A 3 20.223 7.152 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 3 19.114 5.710 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.914 3.691 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.899 3.283 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 3 18.214 5.388 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.599 3.716 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.275 3.136 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.230 2.527 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.957 5.247 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.562 4.100 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.162 5.775 -3.272 1.00 0.00 H new ATOM 51 N SER A 4 20.801 4.896 -0.995 1.00 0.00 N ATOM 52 CA SER A 4 21.619 4.254 0.019 1.00 0.00 C ATOM 53 C SER A 4 21.198 2.792 0.169 1.00 0.00 C ATOM 54 O SER A 4 20.175 2.390 -0.386 1.00 0.00 O ATOM 55 CB SER A 4 21.478 4.992 1.351 1.00 0.00 C ATOM 56 OG SER A 4 21.699 6.384 1.184 1.00 0.00 O ATOM 0 H SER A 4 20.182 5.626 -0.642 1.00 0.00 H new ATOM 0 HA SER A 4 22.665 4.290 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.482 4.824 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.191 4.590 2.071 1.00 0.00 H new ATOM 0 HG SER A 4 21.602 6.837 2.048 1.00 0.00 H new ATOM 62 N GLU A 5 21.958 2.002 0.914 1.00 0.00 N ATOM 63 CA GLU A 5 21.673 0.574 1.042 1.00 0.00 C ATOM 64 C GLU A 5 20.252 0.336 1.554 1.00 0.00 C ATOM 65 O GLU A 5 19.551 -0.561 1.074 1.00 0.00 O ATOM 66 CB GLU A 5 22.703 -0.086 1.956 1.00 0.00 C ATOM 67 CG GLU A 5 24.110 -0.046 1.383 1.00 0.00 C ATOM 68 CD GLU A 5 25.165 -0.494 2.369 1.00 0.00 C ATOM 69 OE1 GLU A 5 26.009 0.341 2.760 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.153 -1.678 2.766 1.00 0.00 O ATOM 0 H GLU A 5 22.773 2.320 1.438 1.00 0.00 H new ATOM 0 HA GLU A 5 21.743 0.119 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.696 0.414 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.416 -1.123 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.154 -0.682 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.334 0.970 1.057 1.00 0.00 H new ATOM 77 N GLN A 6 19.821 1.168 2.499 1.00 0.00 N ATOM 78 CA GLN A 6 18.453 1.112 3.012 1.00 0.00 C ATOM 79 C GLN A 6 17.457 1.350 1.878 1.00 0.00 C ATOM 80 O GLN A 6 16.496 0.599 1.711 1.00 0.00 O ATOM 81 CB GLN A 6 18.221 2.168 4.106 1.00 0.00 C ATOM 82 CG GLN A 6 18.904 1.902 5.448 1.00 0.00 C ATOM 83 CD GLN A 6 20.392 1.656 5.341 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.187 2.593 5.366 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.777 0.395 5.240 1.00 0.00 N ATOM 0 H GLN A 6 20.400 1.891 2.926 1.00 0.00 H new ATOM 0 HA GLN A 6 18.303 0.121 3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.564 3.132 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.148 2.255 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.733 2.754 6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.436 1.037 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.081 -0.351 5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.770 0.168 5.179 1.00 0.00 H new ATOM 94 N LEU A 7 17.710 2.386 1.083 1.00 0.00 N ATOM 95 CA LEU A 7 16.792 2.783 0.024 1.00 0.00 C ATOM 96 C LEU A 7 16.844 1.815 -1.156 1.00 0.00 C ATOM 97 O LEU A 7 15.889 1.694 -1.921 1.00 0.00 O ATOM 98 CB LEU A 7 17.092 4.206 -0.441 1.00 0.00 C ATOM 99 CG LEU A 7 16.870 5.279 0.616 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.357 6.620 0.110 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.401 5.359 1.008 1.00 0.00 C ATOM 0 H LEU A 7 18.546 2.966 1.154 1.00 0.00 H new ATOM 0 HA LEU A 7 15.783 2.753 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.128 4.254 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.467 4.431 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 7 17.443 5.010 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.193 7.379 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.421 6.558 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.808 6.890 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.268 6.133 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.803 5.603 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.079 4.399 1.411 1.00 0.00 H new ATOM 113 N LYS A 8 17.955 1.124 -1.310 1.00 0.00 N ATOM 114 CA LYS A 8 18.047 0.081 -2.313 1.00 0.00 C ATOM 115 C LYS A 8 17.221 -1.119 -1.871 1.00 0.00 C ATOM 116 O LYS A 8 16.570 -1.777 -2.684 1.00 0.00 O ATOM 117 CB LYS A 8 19.506 -0.313 -2.544 1.00 0.00 C ATOM 118 CG LYS A 8 19.696 -1.473 -3.515 1.00 0.00 C ATOM 119 CD LYS A 8 19.176 -1.153 -4.909 1.00 0.00 C ATOM 120 CE LYS A 8 19.872 0.057 -5.509 1.00 0.00 C ATOM 121 NZ LYS A 8 19.503 0.260 -6.934 1.00 0.00 N ATOM 0 H LYS A 8 18.802 1.263 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 8 17.651 0.452 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.049 0.554 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.954 -0.579 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.755 -1.724 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.180 -2.353 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.324 -2.016 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.103 -0.969 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.611 0.947 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.952 -0.068 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.999 1.095 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.775 -0.578 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.476 0.405 -7.009 1.00 0.00 H new ATOM 135 N HIS A 9 17.219 -1.371 -0.571 1.00 0.00 N ATOM 136 CA HIS A 9 16.437 -2.460 -0.015 1.00 0.00 C ATOM 137 C HIS A 9 14.952 -2.104 -0.037 1.00 0.00 C ATOM 138 O HIS A 9 14.101 -2.980 -0.194 1.00 0.00 O ATOM 139 CB HIS A 9 16.889 -2.779 1.411 1.00 0.00 C ATOM 140 CG HIS A 9 16.828 -4.239 1.743 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.930 -4.966 2.141 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.790 -5.109 1.741 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.572 -6.215 2.367 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.280 -6.330 2.133 1.00 0.00 N ATOM 0 H HIS A 9 17.750 -0.836 0.116 1.00 0.00 H new ATOM 0 HA HIS A 9 16.595 -3.348 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.911 -2.425 1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.264 -2.228 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.767 -4.884 1.480 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.228 -7.010 2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.734 -7.186 2.228 1.00 0.00 H new ATOM 153 N CYS A 10 14.640 -0.814 0.115 1.00 0.00 N ATOM 154 CA CYS A 10 13.256 -0.361 0.030 1.00 0.00 C ATOM 155 C CYS A 10 12.777 -0.428 -1.412 1.00 0.00 C ATOM 156 O CYS A 10 11.589 -0.610 -1.674 1.00 0.00 O ATOM 157 CB CYS A 10 13.079 1.053 0.610 1.00 0.00 C ATOM 158 SG CYS A 10 13.658 2.412 -0.424 1.00 0.00 S ATOM 0 H CYS A 10 15.320 -0.076 0.295 1.00 0.00 H new ATOM 0 HA CYS A 10 12.643 -1.028 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.021 1.208 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.603 1.101 1.564 1.00 0.00 H new ATOM 0 HG CYS A 10 14.413 1.944 -1.373 1.00 0.00 H new ATOM 164 N ASN A 11 13.715 -0.309 -2.346 1.00 0.00 N ATOM 165 CA ASN A 11 13.397 -0.431 -3.760 1.00 0.00 C ATOM 166 C ASN A 11 13.111 -1.888 -4.100 1.00 0.00 C ATOM 167 O ASN A 11 12.206 -2.194 -4.879 1.00 0.00 O ATOM 168 CB ASN A 11 14.555 0.093 -4.617 1.00 0.00 C ATOM 169 CG ASN A 11 14.202 0.163 -6.092 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.448 -0.776 -6.848 1.00 0.00 O ATOM 171 ND2 ASN A 11 13.623 1.278 -6.510 1.00 0.00 N ATOM 0 H ASN A 11 14.699 -0.129 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 11 12.511 0.167 -3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.841 1.085 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.422 -0.554 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.364 1.381 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.436 2.034 -5.851 1.00 0.00 H new ATOM 178 N GLY A 12 13.876 -2.780 -3.477 1.00 0.00 N ATOM 179 CA GLY A 12 13.734 -4.201 -3.727 1.00 0.00 C ATOM 180 C GLY A 12 12.420 -4.756 -3.216 1.00 0.00 C ATOM 181 O GLY A 12 11.710 -5.451 -3.946 1.00 0.00 O ATOM 0 H GLY A 12 14.598 -2.539 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.810 -4.387 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.558 -4.733 -3.252 1.00 0.00 H new ATOM 185 N ILE A 13 12.099 -4.466 -1.958 1.00 0.00 N ATOM 186 CA ILE A 13 10.845 -4.907 -1.370 1.00 0.00 C ATOM 187 C ILE A 13 9.649 -4.356 -2.137 1.00 0.00 C ATOM 188 O ILE A 13 8.684 -5.076 -2.402 1.00 0.00 O ATOM 189 CB ILE A 13 10.756 -4.497 0.110 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.914 -5.136 0.875 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.412 -4.893 0.710 1.00 0.00 C ATOM 192 CD1 ILE A 13 11.785 -5.053 2.374 1.00 0.00 C ATOM 0 H ILE A 13 12.693 -3.927 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 13 10.822 -5.995 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 13 10.832 -3.412 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.991 -6.184 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.844 -4.653 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.378 -4.591 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.609 -4.398 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.287 -5.973 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.647 -5.530 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.740 -4.007 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.874 -5.562 2.690 1.00 0.00 H new ATOM 204 N LEU A 14 9.724 -3.081 -2.496 1.00 0.00 N ATOM 205 CA LEU A 14 8.681 -2.449 -3.296 1.00 0.00 C ATOM 206 C LEU A 14 8.486 -3.207 -4.603 1.00 0.00 C ATOM 207 O LEU A 14 7.363 -3.514 -4.994 1.00 0.00 O ATOM 208 CB LEU A 14 9.041 -0.998 -3.602 1.00 0.00 C ATOM 209 CG LEU A 14 7.883 -0.017 -3.515 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.419 1.395 -3.565 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.880 -0.233 -4.636 1.00 0.00 C ATOM 0 H LEU A 14 10.496 -2.463 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 14 7.755 -2.471 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.821 -0.679 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.465 -0.948 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 14 7.363 -0.184 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.591 2.101 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.097 1.557 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.956 1.547 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.067 0.487 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.374 -0.096 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.478 -1.244 -4.575 1.00 0.00 H new ATOM 223 N LYS A 15 9.597 -3.509 -5.265 1.00 0.00 N ATOM 224 CA LYS A 15 9.588 -4.272 -6.489 1.00 0.00 C ATOM 225 C LYS A 15 8.880 -5.606 -6.291 1.00 0.00 C ATOM 226 O LYS A 15 8.111 -6.043 -7.143 1.00 0.00 O ATOM 227 CB LYS A 15 11.029 -4.481 -6.957 1.00 0.00 C ATOM 228 CG LYS A 15 11.240 -5.799 -7.654 1.00 0.00 C ATOM 229 CD LYS A 15 10.628 -5.825 -9.041 1.00 0.00 C ATOM 230 CE LYS A 15 10.967 -7.120 -9.741 1.00 0.00 C ATOM 231 NZ LYS A 15 9.995 -7.450 -10.819 1.00 0.00 N ATOM 0 H LYS A 15 10.528 -3.226 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 15 9.038 -3.723 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.306 -3.672 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.696 -4.421 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.309 -6.001 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.806 -6.598 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.546 -5.715 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.997 -4.981 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.968 -7.049 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.987 -7.930 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.268 -8.346 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.043 -7.544 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.994 -6.691 -11.530 1.00 0.00 H new ATOM 245 N GLU A 16 9.130 -6.229 -5.155 1.00 0.00 N ATOM 246 CA GLU A 16 8.555 -7.540 -4.850 1.00 0.00 C ATOM 247 C GLU A 16 7.039 -7.444 -4.724 1.00 0.00 C ATOM 248 O GLU A 16 6.310 -8.249 -5.300 1.00 0.00 O ATOM 249 CB GLU A 16 9.153 -8.123 -3.568 1.00 0.00 C ATOM 250 CG GLU A 16 8.633 -9.518 -3.244 1.00 0.00 C ATOM 251 CD GLU A 16 9.060 -10.556 -4.259 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.241 -10.556 -4.664 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.220 -11.390 -4.644 1.00 0.00 O ATOM 0 H GLU A 16 9.729 -5.852 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 16 8.799 -8.209 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.238 -8.160 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.930 -7.456 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.990 -9.813 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.544 -9.492 -3.194 1.00 0.00 H new ATOM 260 N LEU A 17 6.573 -6.443 -3.991 1.00 0.00 N ATOM 261 CA LEU A 17 5.138 -6.210 -3.834 1.00 0.00 C ATOM 262 C LEU A 17 4.518 -5.838 -5.185 1.00 0.00 C ATOM 263 O LEU A 17 3.326 -6.035 -5.409 1.00 0.00 O ATOM 264 CB LEU A 17 4.898 -5.098 -2.802 1.00 0.00 C ATOM 265 CG LEU A 17 5.450 -5.365 -1.398 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.673 -4.050 -0.676 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.496 -6.236 -0.590 1.00 0.00 C ATOM 0 H LEU A 17 7.165 -5.777 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 17 4.663 -7.123 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.342 -4.176 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.825 -4.926 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 17 6.397 -5.895 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.066 -4.245 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.387 -3.445 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.727 -3.514 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.913 -6.409 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.534 -5.732 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.357 -7.191 -1.097 1.00 0.00 H new ATOM 279 N LEU A 18 5.353 -5.328 -6.087 1.00 0.00 N ATOM 280 CA LEU A 18 4.918 -4.940 -7.428 1.00 0.00 C ATOM 281 C LEU A 18 5.112 -6.067 -8.437 1.00 0.00 C ATOM 282 O LEU A 18 4.731 -5.947 -9.603 1.00 0.00 O ATOM 283 CB LEU A 18 5.701 -3.730 -7.905 1.00 0.00 C ATOM 284 CG LEU A 18 5.413 -2.437 -7.160 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.227 -1.299 -7.746 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.934 -2.106 -7.206 1.00 0.00 C ATOM 0 H LEU A 18 6.346 -5.172 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 18 3.856 -4.706 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.765 -3.950 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.491 -3.575 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 18 5.700 -2.572 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.010 -0.379 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.289 -1.530 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.967 -1.169 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.752 -1.177 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.619 -1.991 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.366 -2.912 -6.742 1.00 0.00 H new ATOM 298 N SER A 19 5.748 -7.134 -8.002 1.00 0.00 N ATOM 299 CA SER A 19 5.992 -8.283 -8.861 1.00 0.00 C ATOM 300 C SER A 19 4.708 -9.072 -9.085 1.00 0.00 C ATOM 301 O SER A 19 3.867 -9.192 -8.187 1.00 0.00 O ATOM 302 CB SER A 19 7.064 -9.180 -8.245 1.00 0.00 C ATOM 303 OG SER A 19 8.277 -8.469 -8.073 1.00 0.00 O ATOM 0 H SER A 19 6.109 -7.234 -7.053 1.00 0.00 H new ATOM 0 HA SER A 19 6.344 -7.923 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.719 -9.558 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.232 -10.046 -8.886 1.00 0.00 H new ATOM 0 HG SER A 19 8.086 -7.512 -7.987 1.00 0.00 H new ATOM 309 N LYS A 20 4.585 -9.624 -10.294 1.00 0.00 N ATOM 310 CA LYS A 20 3.379 -10.328 -10.719 1.00 0.00 C ATOM 311 C LYS A 20 3.104 -11.528 -9.819 1.00 0.00 C ATOM 312 O LYS A 20 1.979 -12.020 -9.749 1.00 0.00 O ATOM 313 CB LYS A 20 3.510 -10.781 -12.176 1.00 0.00 C ATOM 314 CG LYS A 20 2.170 -10.914 -12.884 1.00 0.00 C ATOM 315 CD LYS A 20 1.568 -9.548 -13.196 1.00 0.00 C ATOM 316 CE LYS A 20 0.180 -9.664 -13.806 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.400 -8.332 -14.128 1.00 0.00 N ATOM 0 H LYS A 20 5.318 -9.594 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 20 2.539 -9.638 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.131 -10.067 -12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.027 -11.740 -12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.300 -11.476 -13.809 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.481 -11.483 -12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.514 -8.958 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.222 -9.012 -13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.232 -10.266 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.478 -10.188 -13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.346 -8.456 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.474 -7.766 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.214 -7.842 -14.809 1.00 0.00 H new ATOM 331 N LYS A 21 4.147 -11.980 -9.133 1.00 0.00 N ATOM 332 CA LYS A 21 4.036 -13.029 -8.128 1.00 0.00 C ATOM 333 C LYS A 21 2.994 -12.667 -7.066 1.00 0.00 C ATOM 334 O LYS A 21 2.265 -13.528 -6.576 1.00 0.00 O ATOM 335 CB LYS A 21 5.406 -13.242 -7.470 1.00 0.00 C ATOM 336 CG LYS A 21 5.379 -14.131 -6.238 1.00 0.00 C ATOM 337 CD LYS A 21 6.744 -14.212 -5.580 1.00 0.00 C ATOM 338 CE LYS A 21 6.766 -15.304 -4.532 1.00 0.00 C ATOM 339 NZ LYS A 21 6.943 -16.652 -5.133 1.00 0.00 N ATOM 0 H LYS A 21 5.096 -11.628 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 21 3.712 -13.949 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.084 -13.679 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.818 -12.271 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.652 -13.743 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.049 -15.132 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.506 -14.409 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.990 -13.255 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.575 -15.113 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.836 -15.280 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.952 -17.369 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.158 -16.846 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.843 -16.685 -5.653 1.00 0.00 H new ATOM 353 N HIS A 22 2.923 -11.387 -6.724 1.00 0.00 N ATOM 354 CA HIS A 22 2.017 -10.929 -5.676 1.00 0.00 C ATOM 355 C HIS A 22 0.846 -10.165 -6.270 1.00 0.00 C ATOM 356 O HIS A 22 -0.147 -9.940 -5.592 1.00 0.00 O ATOM 357 CB HIS A 22 2.756 -10.037 -4.663 1.00 0.00 C ATOM 358 CG HIS A 22 3.883 -10.738 -3.961 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.714 -11.524 -2.834 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.205 -10.773 -4.243 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.883 -12.009 -2.455 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.803 -11.568 -3.296 1.00 0.00 N ATOM 0 H HIS A 22 3.480 -10.649 -7.155 1.00 0.00 H new ATOM 0 HA HIS A 22 1.638 -11.811 -5.159 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.149 -9.161 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.044 -9.676 -3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.699 -10.269 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.057 -12.654 -1.606 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.799 -11.784 -3.249 1.00 0.00 H new ATOM 371 N ALA A 23 0.965 -9.799 -7.545 1.00 0.00 N ATOM 372 CA ALA A 23 -0.026 -8.965 -8.230 1.00 0.00 C ATOM 373 C ALA A 23 -1.448 -9.482 -8.064 1.00 0.00 C ATOM 374 O ALA A 23 -2.389 -8.696 -7.983 1.00 0.00 O ATOM 375 CB ALA A 23 0.325 -8.861 -9.699 1.00 0.00 C ATOM 0 H ALA A 23 1.751 -10.072 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 23 0.005 -7.978 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.413 -8.240 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.312 -8.412 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.329 -9.856 -10.143 1.00 0.00 H new ATOM 381 N ALA A 24 -1.586 -10.800 -7.985 1.00 0.00 N ATOM 382 CA ALA A 24 -2.885 -11.444 -7.814 1.00 0.00 C ATOM 383 C ALA A 24 -3.617 -10.920 -6.576 1.00 0.00 C ATOM 384 O ALA A 24 -4.843 -10.982 -6.498 1.00 0.00 O ATOM 385 CB ALA A 24 -2.692 -12.946 -7.718 1.00 0.00 C ATOM 0 H ALA A 24 -0.803 -11.452 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.503 -11.207 -8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.660 -13.430 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.221 -13.311 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.055 -13.177 -6.864 1.00 0.00 H new ATOM 391 N TYR A 25 -2.859 -10.406 -5.617 1.00 0.00 N ATOM 392 CA TYR A 25 -3.428 -9.842 -4.401 1.00 0.00 C ATOM 393 C TYR A 25 -2.692 -8.560 -4.005 1.00 0.00 C ATOM 394 O TYR A 25 -2.753 -8.124 -2.858 1.00 0.00 O ATOM 395 CB TYR A 25 -3.394 -10.878 -3.264 1.00 0.00 C ATOM 396 CG TYR A 25 -2.094 -11.648 -3.152 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.965 -11.081 -2.579 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.007 -12.956 -3.612 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.212 -11.795 -2.475 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.832 -13.672 -3.510 1.00 0.00 C ATOM 401 CZ TYR A 25 0.273 -13.085 -2.942 1.00 0.00 C ATOM 402 OH TYR A 25 1.445 -13.788 -2.832 1.00 0.00 O ATOM 0 H TYR A 25 -1.841 -10.368 -5.659 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.469 -9.582 -4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.581 -10.368 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.209 -11.586 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.007 -10.067 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.874 -13.421 -4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.083 -11.340 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.781 -14.687 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 25 2.200 -13.164 -2.810 1.00 0.00 H new ATOM 412 N ALA A 26 -1.998 -7.961 -4.970 1.00 0.00 N ATOM 413 CA ALA A 26 -1.251 -6.727 -4.730 1.00 0.00 C ATOM 414 C ALA A 26 -1.780 -5.575 -5.585 1.00 0.00 C ATOM 415 O ALA A 26 -1.460 -4.408 -5.334 1.00 0.00 O ATOM 416 CB ALA A 26 0.237 -6.930 -5.005 1.00 0.00 C ATOM 0 H ALA A 26 -1.937 -8.310 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.388 -6.467 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.772 -5.998 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.626 -7.708 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.378 -7.228 -6.044 1.00 0.00 H new ATOM 422 N TRP A 27 -2.603 -5.895 -6.584 1.00 0.00 N ATOM 423 CA TRP A 27 -3.107 -4.878 -7.506 1.00 0.00 C ATOM 424 C TRP A 27 -3.831 -3.704 -6.807 1.00 0.00 C ATOM 425 O TRP A 27 -3.728 -2.578 -7.292 1.00 0.00 O ATOM 426 CB TRP A 27 -4.000 -5.486 -8.607 1.00 0.00 C ATOM 427 CG TRP A 27 -5.189 -6.267 -8.119 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.245 -7.612 -7.900 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.500 -5.758 -7.817 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.497 -7.971 -7.472 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.287 -6.853 -7.415 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.085 -4.484 -7.841 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.622 -6.718 -7.043 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.411 -4.353 -7.472 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.166 -5.464 -7.079 1.00 0.00 C ATOM 0 H TRP A 27 -2.932 -6.841 -6.774 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.216 -4.459 -7.974 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.355 -4.680 -9.249 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.387 -6.140 -9.227 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.421 -8.296 -8.043 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.793 -8.918 -7.234 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.510 -3.621 -8.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.207 -7.573 -6.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.872 -3.377 -7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.200 -5.328 -6.798 1.00 0.00 H new ATOM 446 N PRO A 28 -4.573 -3.911 -5.678 1.00 0.00 N ATOM 447 CA PRO A 28 -5.232 -2.800 -4.974 1.00 0.00 C ATOM 448 C PRO A 28 -4.273 -1.670 -4.610 1.00 0.00 C ATOM 449 O PRO A 28 -4.687 -0.519 -4.479 1.00 0.00 O ATOM 450 CB PRO A 28 -5.782 -3.417 -3.678 1.00 0.00 C ATOM 451 CG PRO A 28 -5.318 -4.837 -3.647 1.00 0.00 C ATOM 452 CD PRO A 28 -4.879 -5.206 -5.039 1.00 0.00 C ATOM 0 HA PRO A 28 -5.995 -2.358 -5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.420 -2.872 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.871 -3.365 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.495 -4.955 -2.943 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.121 -5.494 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.005 -5.858 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.664 -5.739 -5.576 1.00 0.00 H new ATOM 460 N PHE A 29 -2.998 -2.001 -4.457 1.00 0.00 N ATOM 461 CA PHE A 29 -2.022 -1.040 -3.947 1.00 0.00 C ATOM 462 C PHE A 29 -1.060 -0.579 -5.037 1.00 0.00 C ATOM 463 O PHE A 29 -0.252 0.326 -4.812 1.00 0.00 O ATOM 464 CB PHE A 29 -1.220 -1.647 -2.795 1.00 0.00 C ATOM 465 CG PHE A 29 -1.996 -2.633 -1.969 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.696 -3.983 -2.028 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.030 -2.216 -1.145 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.408 -4.898 -1.284 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.745 -3.129 -0.396 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.433 -4.471 -0.467 1.00 0.00 C ATOM 0 H PHE A 29 -2.614 -2.920 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.582 -0.176 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.337 -2.142 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.866 -0.844 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.893 -4.323 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.279 -1.167 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.164 -5.948 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.547 -2.793 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.992 -5.187 0.117 1.00 0.00 H new ATOM 480 N TYR A 30 -1.119 -1.227 -6.200 1.00 0.00 N ATOM 481 CA TYR A 30 -0.296 -0.826 -7.341 1.00 0.00 C ATOM 482 C TYR A 30 -0.493 0.649 -7.673 1.00 0.00 C ATOM 483 O TYR A 30 0.462 1.420 -7.689 1.00 0.00 O ATOM 484 CB TYR A 30 -0.612 -1.689 -8.571 1.00 0.00 C ATOM 485 CG TYR A 30 0.104 -3.021 -8.579 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.610 -3.547 -7.407 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.287 -3.745 -9.754 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.278 -4.746 -7.389 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.954 -4.955 -9.744 1.00 0.00 C ATOM 490 CZ TYR A 30 1.448 -5.448 -8.557 1.00 0.00 C ATOM 491 OH TYR A 30 2.113 -6.649 -8.535 1.00 0.00 O ATOM 0 H TYR A 30 -1.725 -2.028 -6.377 1.00 0.00 H new ATOM 0 HA TYR A 30 0.747 -0.978 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.687 -1.864 -8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.342 -1.136 -9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.477 -3.003 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.097 -3.356 -10.685 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.668 -5.136 -6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.087 -5.510 -10.661 1.00 0.00 H new ATOM 0 HH TYR A 30 2.714 -6.704 -9.307 1.00 0.00 H new ATOM 501 N LYS A 31 -1.734 1.039 -7.909 1.00 0.00 N ATOM 502 CA LYS A 31 -2.053 2.403 -8.288 1.00 0.00 C ATOM 503 C LYS A 31 -3.236 2.909 -7.482 1.00 0.00 C ATOM 504 O LYS A 31 -4.047 2.113 -7.004 1.00 0.00 O ATOM 505 CB LYS A 31 -2.369 2.478 -9.780 1.00 0.00 C ATOM 506 CG LYS A 31 -1.142 2.388 -10.667 1.00 0.00 C ATOM 507 CD LYS A 31 -1.513 2.524 -12.132 1.00 0.00 C ATOM 508 CE LYS A 31 -0.311 2.333 -13.041 1.00 0.00 C ATOM 509 NZ LYS A 31 0.772 3.303 -12.744 1.00 0.00 N ATOM 0 H LYS A 31 -2.544 0.422 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.188 3.032 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.054 1.670 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.888 3.414 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.434 3.171 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.641 1.434 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.278 1.789 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.947 3.508 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.071 1.318 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.621 2.443 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.505 3.241 -13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.380 4.266 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.191 3.083 -11.818 1.00 0.00 H new ATOM 523 N PRO A 32 -3.348 4.239 -7.325 1.00 0.00 N ATOM 524 CA PRO A 32 -4.423 4.864 -6.551 1.00 0.00 C ATOM 525 C PRO A 32 -5.806 4.404 -6.995 1.00 0.00 C ATOM 526 O PRO A 32 -6.067 4.245 -8.191 1.00 0.00 O ATOM 527 CB PRO A 32 -4.250 6.369 -6.823 1.00 0.00 C ATOM 528 CG PRO A 32 -3.307 6.460 -7.971 1.00 0.00 C ATOM 529 CD PRO A 32 -2.434 5.246 -7.879 1.00 0.00 C ATOM 0 HA PRO A 32 -4.358 4.600 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.205 6.837 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.853 6.883 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.845 6.484 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.714 7.373 -7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.047 4.950 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.573 5.413 -7.231 1.00 0.00 H new ATOM 537 N VAL A 33 -6.684 4.185 -6.019 1.00 0.00 N ATOM 538 CA VAL A 33 -8.046 3.748 -6.296 1.00 0.00 C ATOM 539 C VAL A 33 -8.751 4.780 -7.171 1.00 0.00 C ATOM 540 O VAL A 33 -8.473 5.981 -7.083 1.00 0.00 O ATOM 541 CB VAL A 33 -8.865 3.498 -4.991 1.00 0.00 C ATOM 542 CG1 VAL A 33 -7.964 3.054 -3.855 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.700 4.706 -4.579 1.00 0.00 C ATOM 0 H VAL A 33 -6.474 4.304 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.985 2.796 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.564 2.692 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.563 2.888 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.459 2.128 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.221 3.827 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.248 4.475 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.044 5.559 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.405 4.949 -5.374 1.00 0.00 H new ATOM 553 N ASP A 34 -9.645 4.311 -8.019 1.00 0.00 N ATOM 554 CA ASP A 34 -10.397 5.199 -8.902 1.00 0.00 C ATOM 555 C ASP A 34 -11.661 5.634 -8.195 1.00 0.00 C ATOM 556 O ASP A 34 -12.764 5.285 -8.602 1.00 0.00 O ATOM 557 CB ASP A 34 -10.743 4.516 -10.236 1.00 0.00 C ATOM 558 CG ASP A 34 -9.517 4.200 -11.070 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.199 4.994 -11.979 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.868 3.160 -10.823 1.00 0.00 O ATOM 0 H ASP A 34 -9.873 3.322 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.778 6.066 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.288 3.594 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.409 5.162 -10.808 1.00 0.00 H new ATOM 565 N ALA A 35 -11.476 6.402 -7.129 1.00 0.00 N ATOM 566 CA ALA A 35 -12.550 6.730 -6.198 1.00 0.00 C ATOM 567 C ALA A 35 -13.784 7.303 -6.891 1.00 0.00 C ATOM 568 O ALA A 35 -14.908 6.949 -6.546 1.00 0.00 O ATOM 569 CB ALA A 35 -12.039 7.681 -5.129 1.00 0.00 C ATOM 0 H ALA A 35 -10.576 6.816 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.868 5.798 -5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.848 7.920 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.223 7.209 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.680 8.597 -5.598 1.00 0.00 H new ATOM 575 N SER A 36 -13.577 8.168 -7.877 1.00 0.00 N ATOM 576 CA SER A 36 -14.688 8.775 -8.600 1.00 0.00 C ATOM 577 C SER A 36 -15.481 7.718 -9.371 1.00 0.00 C ATOM 578 O SER A 36 -16.711 7.732 -9.377 1.00 0.00 O ATOM 579 CB SER A 36 -14.166 9.854 -9.549 1.00 0.00 C ATOM 580 OG SER A 36 -13.425 10.834 -8.838 1.00 0.00 O ATOM 0 H SER A 36 -12.654 8.464 -8.193 1.00 0.00 H new ATOM 0 HA SER A 36 -15.361 9.237 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.536 9.399 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.002 10.327 -10.065 1.00 0.00 H new ATOM 0 HG SER A 36 -13.098 11.514 -9.463 1.00 0.00 H new ATOM 586 N ALA A 37 -14.771 6.787 -9.994 1.00 0.00 N ATOM 587 CA ALA A 37 -15.405 5.708 -10.743 1.00 0.00 C ATOM 588 C ALA A 37 -15.968 4.656 -9.793 1.00 0.00 C ATOM 589 O ALA A 37 -16.904 3.924 -10.125 1.00 0.00 O ATOM 590 CB ALA A 37 -14.398 5.083 -11.694 1.00 0.00 C ATOM 0 H ALA A 37 -13.751 6.757 -9.996 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.232 6.118 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.876 4.277 -12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.036 5.840 -12.389 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.560 4.682 -11.124 1.00 0.00 H new ATOM 596 N LEU A 38 -15.386 4.597 -8.605 1.00 0.00 N ATOM 597 CA LEU A 38 -15.800 3.662 -7.569 1.00 0.00 C ATOM 598 C LEU A 38 -17.026 4.180 -6.821 1.00 0.00 C ATOM 599 O LEU A 38 -17.593 3.482 -5.980 1.00 0.00 O ATOM 600 CB LEU A 38 -14.638 3.434 -6.598 1.00 0.00 C ATOM 601 CG LEU A 38 -13.482 2.597 -7.150 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.207 2.837 -6.355 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.842 1.126 -7.128 1.00 0.00 C ATOM 0 H LEU A 38 -14.610 5.199 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.073 2.716 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.248 4.404 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.024 2.946 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.304 2.903 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.401 2.230 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.935 3.891 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.371 2.562 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.011 0.542 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.047 0.817 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.727 0.959 -7.742 1.00 0.00 H new ATOM 615 N GLY A 39 -17.425 5.410 -7.131 1.00 0.00 N ATOM 616 CA GLY A 39 -18.574 6.012 -6.476 1.00 0.00 C ATOM 617 C GLY A 39 -18.226 6.557 -5.108 1.00 0.00 C ATOM 618 O GLY A 39 -19.096 6.998 -4.356 1.00 0.00 O ATOM 0 H GLY A 39 -16.972 6.003 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.965 6.817 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.366 5.270 -6.380 1.00 0.00 H new ATOM 622 N LEU A 40 -16.948 6.526 -4.789 1.00 0.00 N ATOM 623 CA LEU A 40 -16.464 6.970 -3.502 1.00 0.00 C ATOM 624 C LEU A 40 -16.284 8.483 -3.514 1.00 0.00 C ATOM 625 O LEU A 40 -15.214 8.994 -3.843 1.00 0.00 O ATOM 626 CB LEU A 40 -15.150 6.261 -3.178 1.00 0.00 C ATOM 627 CG LEU A 40 -15.135 4.755 -3.478 1.00 0.00 C ATOM 628 CD1 LEU A 40 -13.892 4.104 -2.903 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.394 4.073 -2.962 1.00 0.00 C ATOM 0 H LEU A 40 -16.217 6.192 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.189 6.720 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.349 6.737 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.926 6.408 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.115 4.633 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.903 3.037 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.005 4.559 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.873 4.247 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.351 3.008 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.466 4.210 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.269 4.512 -3.442 1.00 0.00 H new ATOM 641 N HIS A 41 -17.347 9.189 -3.149 1.00 0.00 N ATOM 642 CA HIS A 41 -17.409 10.643 -3.306 1.00 0.00 C ATOM 643 C HIS A 41 -16.579 11.388 -2.263 1.00 0.00 C ATOM 644 O HIS A 41 -16.353 12.586 -2.400 1.00 0.00 O ATOM 645 CB HIS A 41 -18.862 11.130 -3.240 1.00 0.00 C ATOM 646 CG HIS A 41 -19.750 10.569 -4.326 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.734 11.055 -5.614 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.672 9.559 -4.322 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.596 10.381 -6.351 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.175 9.470 -5.595 1.00 0.00 N ATOM 0 H HIS A 41 -18.185 8.778 -2.739 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.984 10.864 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.280 10.863 -2.269 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.873 12.218 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.951 8.947 -3.477 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.794 10.548 -7.399 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.883 8.805 -5.906 1.00 0.00 H new ATOM 659 N ASP A 42 -16.115 10.692 -1.234 1.00 0.00 N ATOM 660 CA ASP A 42 -15.377 11.357 -0.153 1.00 0.00 C ATOM 661 C ASP A 42 -14.164 10.539 0.258 1.00 0.00 C ATOM 662 O ASP A 42 -13.866 10.393 1.441 1.00 0.00 O ATOM 663 CB ASP A 42 -16.271 11.627 1.076 1.00 0.00 C ATOM 664 CG ASP A 42 -17.450 12.528 0.762 1.00 0.00 C ATOM 665 OD1 ASP A 42 -17.273 13.762 0.739 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.562 12.008 0.544 1.00 0.00 O ATOM 0 H ASP A 42 -16.230 9.685 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.043 12.319 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.639 10.678 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -15.670 12.084 1.862 1.00 0.00 H new ATOM 671 N TYR A 43 -13.446 10.025 -0.729 1.00 0.00 N ATOM 672 CA TYR A 43 -12.276 9.201 -0.468 1.00 0.00 C ATOM 673 C TYR A 43 -11.163 10.028 0.177 1.00 0.00 C ATOM 674 O TYR A 43 -10.484 9.566 1.094 1.00 0.00 O ATOM 675 CB TYR A 43 -11.793 8.552 -1.772 1.00 0.00 C ATOM 676 CG TYR A 43 -10.503 7.772 -1.651 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.513 6.444 -1.259 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.279 8.358 -1.942 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.346 5.718 -1.156 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.104 7.640 -1.841 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.143 6.319 -1.447 1.00 0.00 C ATOM 682 OH TYR A 43 -6.976 5.595 -1.342 1.00 0.00 O ATOM 0 H TYR A 43 -13.653 10.164 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.551 8.412 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.572 7.884 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.661 9.331 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.455 5.967 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.245 9.392 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.376 4.683 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.159 8.111 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.215 6.164 -1.583 1.00 0.00 H new ATOM 692 N HIS A 44 -11.009 11.264 -0.277 1.00 0.00 N ATOM 693 CA HIS A 44 -9.941 12.130 0.216 1.00 0.00 C ATOM 694 C HIS A 44 -10.316 12.784 1.542 1.00 0.00 C ATOM 695 O HIS A 44 -9.539 13.549 2.112 1.00 0.00 O ATOM 696 CB HIS A 44 -9.594 13.206 -0.816 1.00 0.00 C ATOM 697 CG HIS A 44 -8.860 12.683 -2.011 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.489 12.545 -2.051 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.312 12.264 -3.219 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.130 12.067 -3.228 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.217 11.888 -3.954 1.00 0.00 N ATOM 0 H HIS A 44 -11.607 11.691 -0.984 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.066 11.502 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.514 13.687 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.987 13.974 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.342 12.232 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.118 11.858 -3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.239 11.528 -4.908 1.00 0.00 H new ATOM 710 N ASP A 45 -11.514 12.498 2.022 1.00 0.00 N ATOM 711 CA ASP A 45 -11.959 13.016 3.310 1.00 0.00 C ATOM 712 C ASP A 45 -11.683 12.008 4.412 1.00 0.00 C ATOM 713 O ASP A 45 -11.283 12.373 5.518 1.00 0.00 O ATOM 714 CB ASP A 45 -13.449 13.359 3.269 1.00 0.00 C ATOM 715 CG ASP A 45 -13.728 14.609 2.461 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.178 15.615 3.049 1.00 0.00 O ATOM 717 OD2 ASP A 45 -13.477 14.605 1.241 1.00 0.00 O ATOM 0 H ASP A 45 -12.197 11.911 1.543 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.400 13.928 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.001 12.522 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.816 13.497 4.286 1.00 0.00 H new ATOM 722 N ILE A 46 -11.898 10.738 4.103 1.00 0.00 N ATOM 723 CA ILE A 46 -11.644 9.662 5.049 1.00 0.00 C ATOM 724 C ILE A 46 -10.152 9.347 5.113 1.00 0.00 C ATOM 725 O ILE A 46 -9.590 9.159 6.192 1.00 0.00 O ATOM 726 CB ILE A 46 -12.443 8.383 4.680 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.912 8.505 5.093 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.841 7.134 5.313 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.709 9.528 4.310 1.00 0.00 C ATOM 0 H ILE A 46 -12.250 10.426 3.198 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.978 9.999 6.030 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.384 8.284 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.388 7.531 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.957 8.762 6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.430 6.262 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.816 7.008 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.846 7.238 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.737 9.543 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.263 10.514 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.701 9.264 3.253 1.00 0.00 H new ATOM 741 N ILE A 47 -9.513 9.306 3.957 1.00 0.00 N ATOM 742 CA ILE A 47 -8.097 8.982 3.883 1.00 0.00 C ATOM 743 C ILE A 47 -7.242 10.236 4.060 1.00 0.00 C ATOM 744 O ILE A 47 -7.355 11.187 3.286 1.00 0.00 O ATOM 745 CB ILE A 47 -7.748 8.319 2.538 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.635 7.099 2.285 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.284 7.924 2.514 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.317 5.923 3.173 1.00 0.00 C ATOM 0 H ILE A 47 -9.952 9.493 3.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.883 8.282 4.691 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.931 9.041 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.677 7.382 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.531 6.795 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.049 7.456 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.665 8.812 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.084 7.220 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.987 5.096 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.285 5.613 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.449 6.209 4.217 1.00 0.00 H new ATOM 760 N LYS A 48 -6.392 10.234 5.082 1.00 0.00 N ATOM 761 CA LYS A 48 -5.534 11.378 5.367 1.00 0.00 C ATOM 762 C LYS A 48 -4.174 11.244 4.689 1.00 0.00 C ATOM 763 O LYS A 48 -3.544 12.242 4.343 1.00 0.00 O ATOM 764 CB LYS A 48 -5.356 11.545 6.875 1.00 0.00 C ATOM 765 CG LYS A 48 -6.616 12.021 7.569 1.00 0.00 C ATOM 766 CD LYS A 48 -6.958 13.441 7.158 1.00 0.00 C ATOM 767 CE LYS A 48 -8.392 13.781 7.474 1.00 0.00 C ATOM 768 NZ LYS A 48 -8.706 15.200 7.164 1.00 0.00 N ATOM 0 H LYS A 48 -6.279 9.452 5.727 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.022 12.265 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.047 10.593 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.552 12.257 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.445 11.357 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.481 11.974 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.297 14.138 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.782 13.563 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.054 13.130 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.587 13.588 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.701 15.394 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.092 15.822 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.545 15.378 6.152 1.00 0.00 H new ATOM 782 N HIS A 49 -3.717 10.014 4.511 1.00 0.00 N ATOM 783 CA HIS A 49 -2.461 9.760 3.812 1.00 0.00 C ATOM 784 C HIS A 49 -2.658 8.784 2.654 1.00 0.00 C ATOM 785 O HIS A 49 -2.250 7.626 2.743 1.00 0.00 O ATOM 786 CB HIS A 49 -1.404 9.212 4.772 1.00 0.00 C ATOM 787 CG HIS A 49 -0.540 10.271 5.386 1.00 0.00 C ATOM 788 ND1 HIS A 49 0.646 10.691 4.822 1.00 0.00 N ATOM 789 CD2 HIS A 49 -0.684 10.985 6.525 1.00 0.00 C ATOM 790 CE1 HIS A 49 1.192 11.614 5.587 1.00 0.00 C ATOM 791 NE2 HIS A 49 0.406 11.814 6.627 1.00 0.00 N ATOM 0 H HIS A 49 -4.195 9.175 4.840 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.116 10.712 3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.901 8.656 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.771 8.505 4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.504 10.916 7.225 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.126 12.121 5.395 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.579 12.476 7.383 1.00 0.00 H new ATOM 800 N PRO A 50 -3.304 9.226 1.558 1.00 0.00 N ATOM 801 CA PRO A 50 -3.476 8.396 0.361 1.00 0.00 C ATOM 802 C PRO A 50 -2.147 8.104 -0.323 1.00 0.00 C ATOM 803 O PRO A 50 -1.547 8.979 -0.955 1.00 0.00 O ATOM 804 CB PRO A 50 -4.374 9.239 -0.547 1.00 0.00 C ATOM 805 CG PRO A 50 -4.170 10.638 -0.088 1.00 0.00 C ATOM 806 CD PRO A 50 -3.934 10.551 1.396 1.00 0.00 C ATOM 0 HA PRO A 50 -3.901 7.421 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.098 9.122 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.419 8.941 -0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.319 11.095 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.042 11.254 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.284 11.352 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.865 10.626 1.957 1.00 0.00 H new ATOM 814 N MET A 51 -1.685 6.880 -0.178 1.00 0.00 N ATOM 815 CA MET A 51 -0.419 6.475 -0.753 1.00 0.00 C ATOM 816 C MET A 51 -0.564 5.139 -1.464 1.00 0.00 C ATOM 817 O MET A 51 -1.388 4.312 -1.077 1.00 0.00 O ATOM 818 CB MET A 51 0.663 6.405 0.338 1.00 0.00 C ATOM 819 CG MET A 51 1.999 5.848 -0.144 1.00 0.00 C ATOM 820 SD MET A 51 2.612 6.705 -1.612 1.00 0.00 S ATOM 821 CE MET A 51 2.598 8.398 -1.043 1.00 0.00 C ATOM 0 H MET A 51 -2.170 6.144 0.336 1.00 0.00 H new ATOM 0 HA MET A 51 -0.112 7.218 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.823 7.405 0.741 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.298 5.786 1.157 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.735 5.932 0.656 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.888 4.787 -0.366 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.300 8.986 -1.634 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.595 8.811 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.890 8.432 0.006 1.00 0.00 H new ATOM 831 N ASP A 52 0.234 4.946 -2.504 1.00 0.00 N ATOM 832 CA ASP A 52 0.190 3.733 -3.306 1.00 0.00 C ATOM 833 C ASP A 52 1.616 3.302 -3.627 1.00 0.00 C ATOM 834 O ASP A 52 2.506 4.148 -3.657 1.00 0.00 O ATOM 835 CB ASP A 52 -0.603 3.969 -4.601 1.00 0.00 C ATOM 836 CG ASP A 52 -1.903 4.709 -4.350 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.914 5.955 -4.490 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.911 4.062 -4.001 1.00 0.00 O ATOM 0 H ASP A 52 0.929 5.625 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.313 2.945 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.008 4.539 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.818 3.010 -5.073 1.00 0.00 H new ATOM 843 N LEU A 53 1.852 2.018 -3.854 1.00 0.00 N ATOM 844 CA LEU A 53 3.217 1.527 -4.064 1.00 0.00 C ATOM 845 C LEU A 53 3.908 2.230 -5.233 1.00 0.00 C ATOM 846 O LEU A 53 5.092 2.568 -5.149 1.00 0.00 O ATOM 847 CB LEU A 53 3.217 0.017 -4.259 1.00 0.00 C ATOM 848 CG LEU A 53 3.063 -0.782 -2.967 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.809 -2.235 -3.283 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.296 -0.638 -2.096 1.00 0.00 C ATOM 0 H LEU A 53 1.129 1.300 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 53 3.791 1.763 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.406 -0.250 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.148 -0.275 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 53 2.209 -0.387 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.701 -2.796 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.895 -2.325 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.647 -2.635 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.164 -1.215 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.168 -1.007 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.443 0.412 -1.844 1.00 0.00 H new ATOM 862 N SER A 54 3.164 2.478 -6.303 1.00 0.00 N ATOM 863 CA SER A 54 3.701 3.191 -7.460 1.00 0.00 C ATOM 864 C SER A 54 4.164 4.600 -7.072 1.00 0.00 C ATOM 865 O SER A 54 5.155 5.106 -7.598 1.00 0.00 O ATOM 866 CB SER A 54 2.642 3.280 -8.561 1.00 0.00 C ATOM 867 OG SER A 54 1.438 3.846 -8.065 1.00 0.00 O ATOM 0 H SER A 54 2.188 2.197 -6.396 1.00 0.00 H new ATOM 0 HA SER A 54 4.562 2.635 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.020 3.885 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.443 2.285 -8.960 1.00 0.00 H new ATOM 0 HG SER A 54 0.875 3.138 -7.687 1.00 0.00 H new ATOM 873 N THR A 55 3.440 5.224 -6.148 1.00 0.00 N ATOM 874 CA THR A 55 3.763 6.563 -5.683 1.00 0.00 C ATOM 875 C THR A 55 4.945 6.525 -4.721 1.00 0.00 C ATOM 876 O THR A 55 5.784 7.429 -4.719 1.00 0.00 O ATOM 877 CB THR A 55 2.559 7.212 -4.984 1.00 0.00 C ATOM 878 OG1 THR A 55 1.348 6.833 -5.654 1.00 0.00 O ATOM 879 CG2 THR A 55 2.695 8.722 -5.005 1.00 0.00 C ATOM 0 H THR A 55 2.617 4.816 -5.704 1.00 0.00 H new ATOM 0 HA THR A 55 4.026 7.160 -6.556 1.00 0.00 H new ATOM 0 HB THR A 55 2.526 6.870 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.582 7.247 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.836 9.172 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.608 9.012 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.738 9.069 -6.037 1.00 0.00 H new ATOM 887 N VAL A 56 5.014 5.470 -3.915 1.00 0.00 N ATOM 888 CA VAL A 56 6.144 5.270 -3.019 1.00 0.00 C ATOM 889 C VAL A 56 7.419 5.163 -3.837 1.00 0.00 C ATOM 890 O VAL A 56 8.423 5.816 -3.550 1.00 0.00 O ATOM 891 CB VAL A 56 5.990 3.994 -2.161 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.225 3.779 -1.304 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.755 4.076 -1.284 1.00 0.00 C ATOM 0 H VAL A 56 4.301 4.742 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 56 6.185 6.125 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 56 5.876 3.146 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.100 2.876 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.099 3.671 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.363 4.635 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.669 3.166 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.837 4.936 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.870 4.185 -1.911 1.00 0.00 H new ATOM 903 N LYS A 57 7.350 4.354 -4.884 1.00 0.00 N ATOM 904 CA LYS A 57 8.474 4.150 -5.769 1.00 0.00 C ATOM 905 C LYS A 57 8.798 5.434 -6.506 1.00 0.00 C ATOM 906 O LYS A 57 9.959 5.774 -6.690 1.00 0.00 O ATOM 907 CB LYS A 57 8.148 3.044 -6.756 1.00 0.00 C ATOM 908 CG LYS A 57 9.270 2.039 -6.923 1.00 0.00 C ATOM 909 CD LYS A 57 8.800 0.804 -7.657 1.00 0.00 C ATOM 910 CE LYS A 57 9.951 -0.147 -7.924 1.00 0.00 C ATOM 911 NZ LYS A 57 9.581 -1.224 -8.877 1.00 0.00 N ATOM 0 H LYS A 57 6.515 3.826 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 57 9.346 3.859 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.250 2.523 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.919 3.487 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.093 2.498 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.657 1.757 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.035 0.297 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.337 1.093 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.797 0.413 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.277 -0.592 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.251 -1.229 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.613 -2.143 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.620 -1.055 -9.236 1.00 0.00 H new ATOM 925 N ARG A 58 7.752 6.141 -6.915 1.00 0.00 N ATOM 926 CA ARG A 58 7.897 7.435 -7.569 1.00 0.00 C ATOM 927 C ARG A 58 8.732 8.383 -6.717 1.00 0.00 C ATOM 928 O ARG A 58 9.744 8.925 -7.167 1.00 0.00 O ATOM 929 CB ARG A 58 6.525 8.055 -7.800 1.00 0.00 C ATOM 930 CG ARG A 58 6.592 9.403 -8.502 1.00 0.00 C ATOM 931 CD ARG A 58 5.273 10.144 -8.447 1.00 0.00 C ATOM 932 NE ARG A 58 5.353 11.433 -9.129 1.00 0.00 N ATOM 933 CZ ARG A 58 4.508 12.443 -8.929 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.527 12.338 -8.042 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.653 13.568 -9.616 1.00 0.00 N ATOM 0 H ARG A 58 6.785 5.836 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 58 8.401 7.278 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.919 7.372 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.021 8.176 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.369 10.013 -8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.880 9.255 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.494 9.536 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.985 10.299 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 58 6.106 11.569 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.414 11.478 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.885 13.117 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.409 13.657 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.008 14.344 -9.466 1.00 0.00 H new ATOM 949 N LYS A 59 8.304 8.563 -5.478 1.00 0.00 N ATOM 950 CA LYS A 59 8.963 9.479 -4.562 1.00 0.00 C ATOM 951 C LYS A 59 10.343 8.950 -4.173 1.00 0.00 C ATOM 952 O LYS A 59 11.267 9.721 -3.910 1.00 0.00 O ATOM 953 CB LYS A 59 8.083 9.704 -3.330 1.00 0.00 C ATOM 954 CG LYS A 59 6.768 10.400 -3.652 1.00 0.00 C ATOM 955 CD LYS A 59 5.735 10.253 -2.534 1.00 0.00 C ATOM 956 CE LYS A 59 6.261 10.720 -1.181 1.00 0.00 C ATOM 957 NZ LYS A 59 6.594 9.576 -0.289 1.00 0.00 N ATOM 0 H LYS A 59 7.496 8.082 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 59 9.108 10.438 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.873 8.743 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.633 10.300 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.956 11.459 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.360 9.988 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.844 10.826 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.432 9.209 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.149 11.335 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.514 11.350 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.147 9.918 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.716 9.134 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.152 8.875 -0.817 1.00 0.00 H new ATOM 971 N MET A 60 10.480 7.627 -4.150 1.00 0.00 N ATOM 972 CA MET A 60 11.780 6.995 -3.939 1.00 0.00 C ATOM 973 C MET A 60 12.713 7.291 -5.110 1.00 0.00 C ATOM 974 O MET A 60 13.901 7.543 -4.918 1.00 0.00 O ATOM 975 CB MET A 60 11.635 5.479 -3.776 1.00 0.00 C ATOM 976 CG MET A 60 12.959 4.764 -3.565 1.00 0.00 C ATOM 977 SD MET A 60 12.854 3.017 -3.971 1.00 0.00 S ATOM 978 CE MET A 60 11.513 2.541 -2.894 1.00 0.00 C ATOM 0 H MET A 60 9.708 6.972 -4.275 1.00 0.00 H new ATOM 0 HA MET A 60 12.204 7.408 -3.024 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.981 5.273 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.148 5.071 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.726 5.234 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.270 4.877 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.647 1.505 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.505 3.186 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.567 2.641 -3.425 1.00 0.00 H new ATOM 988 N GLU A 61 12.170 7.262 -6.326 1.00 0.00 N ATOM 989 CA GLU A 61 12.957 7.547 -7.524 1.00 0.00 C ATOM 990 C GLU A 61 13.399 9.003 -7.545 1.00 0.00 C ATOM 991 O GLU A 61 14.467 9.335 -8.055 1.00 0.00 O ATOM 992 CB GLU A 61 12.160 7.232 -8.789 1.00 0.00 C ATOM 993 CG GLU A 61 11.975 5.744 -9.042 1.00 0.00 C ATOM 994 CD GLU A 61 11.426 5.455 -10.423 1.00 0.00 C ATOM 995 OE1 GLU A 61 12.205 5.018 -11.298 1.00 0.00 O ATOM 996 OE2 GLU A 61 10.220 5.674 -10.650 1.00 0.00 O ATOM 0 H GLU A 61 11.190 7.044 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 61 13.841 6.909 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.180 7.704 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.665 7.677 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.932 5.236 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.299 5.332 -8.292 1.00 0.00 H new ATOM 1003 N ASN A 62 12.574 9.865 -6.970 1.00 0.00 N ATOM 1004 CA ASN A 62 12.898 11.284 -6.860 1.00 0.00 C ATOM 1005 C ASN A 62 13.828 11.504 -5.675 1.00 0.00 C ATOM 1006 O ASN A 62 14.307 12.613 -5.430 1.00 0.00 O ATOM 1007 CB ASN A 62 11.631 12.133 -6.703 1.00 0.00 C ATOM 1008 CG ASN A 62 10.837 12.281 -7.997 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.181 13.299 -8.221 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.881 11.276 -8.859 1.00 0.00 N ATOM 0 H ASN A 62 11.671 9.608 -6.570 1.00 0.00 H new ATOM 0 HA ASN A 62 13.396 11.596 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.992 11.682 -5.943 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.908 13.123 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.363 11.333 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.433 10.445 -8.646 1.00 0.00 H new ATOM 1017 N ARG A 63 14.078 10.407 -4.962 1.00 0.00 N ATOM 1018 CA ARG A 63 14.985 10.364 -3.822 1.00 0.00 C ATOM 1019 C ARG A 63 14.548 11.315 -2.717 1.00 0.00 C ATOM 1020 O ARG A 63 15.371 11.949 -2.055 1.00 0.00 O ATOM 1021 CB ARG A 63 16.413 10.656 -4.278 1.00 0.00 C ATOM 1022 CG ARG A 63 16.824 9.821 -5.478 1.00 0.00 C ATOM 1023 CD ARG A 63 16.936 8.342 -5.146 1.00 0.00 C ATOM 1024 NE ARG A 63 16.759 7.510 -6.338 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.760 7.020 -7.069 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.010 7.362 -6.809 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.505 6.213 -8.088 1.00 0.00 N ATOM 0 H ARG A 63 13.646 9.506 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 63 14.955 9.359 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.502 11.713 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.100 10.464 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.096 9.957 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.782 10.179 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.911 8.140 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.185 8.077 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 63 15.806 7.291 -6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.214 8.005 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.770 6.983 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.542 5.966 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.272 5.839 -8.647 1.00 0.00 H new ATOM 1041 N ASP A 64 13.239 11.404 -2.530 1.00 0.00 N ATOM 1042 CA ASP A 64 12.670 12.131 -1.396 1.00 0.00 C ATOM 1043 C ASP A 64 12.962 11.400 -0.093 1.00 0.00 C ATOM 1044 O ASP A 64 12.948 11.990 0.986 1.00 0.00 O ATOM 1045 CB ASP A 64 11.155 12.286 -1.552 1.00 0.00 C ATOM 1046 CG ASP A 64 10.768 13.445 -2.443 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.327 14.486 -1.907 1.00 0.00 O ATOM 1048 OD2 ASP A 64 10.896 13.326 -3.676 1.00 0.00 O ATOM 0 H ASP A 64 12.547 10.982 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 64 13.131 13.119 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.742 11.365 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.706 12.426 -0.568 1.00 0.00 H new ATOM 1053 N TYR A 65 13.225 10.108 -0.210 1.00 0.00 N ATOM 1054 CA TYR A 65 13.435 9.251 0.947 1.00 0.00 C ATOM 1055 C TYR A 65 14.892 9.299 1.378 1.00 0.00 C ATOM 1056 O TYR A 65 15.796 9.340 0.541 1.00 0.00 O ATOM 1057 CB TYR A 65 13.056 7.800 0.621 1.00 0.00 C ATOM 1058 CG TYR A 65 11.598 7.584 0.265 1.00 0.00 C ATOM 1059 CD1 TYR A 65 10.966 6.380 0.552 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.856 8.570 -0.363 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.639 6.176 0.222 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.538 8.374 -0.691 1.00 0.00 C ATOM 1063 CZ TYR A 65 8.932 7.180 -0.399 1.00 0.00 C ATOM 1064 OH TYR A 65 7.611 6.998 -0.734 1.00 0.00 O ATOM 0 H TYR A 65 13.299 9.625 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 65 12.801 9.614 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.672 7.457 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.302 7.174 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.520 5.592 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.325 9.514 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.161 5.235 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.979 9.159 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 65 7.091 6.813 0.076 1.00 0.00 H new ATOM 1074 N ARG A 66 15.110 9.316 2.678 1.00 0.00 N ATOM 1075 CA ARG A 66 16.454 9.279 3.225 1.00 0.00 C ATOM 1076 C ARG A 66 16.792 7.883 3.730 1.00 0.00 C ATOM 1077 O ARG A 66 17.940 7.444 3.647 1.00 0.00 O ATOM 1078 CB ARG A 66 16.573 10.287 4.368 1.00 0.00 C ATOM 1079 CG ARG A 66 17.904 10.254 5.104 1.00 0.00 C ATOM 1080 CD ARG A 66 17.877 11.171 6.310 1.00 0.00 C ATOM 1081 NE ARG A 66 16.937 10.705 7.327 1.00 0.00 N ATOM 1082 CZ ARG A 66 16.318 11.506 8.191 1.00 0.00 C ATOM 1083 NH1 ARG A 66 16.518 12.816 8.138 1.00 0.00 N ATOM 1084 NH2 ARG A 66 15.498 11.001 9.104 1.00 0.00 N ATOM 0 H ARG A 66 14.370 9.355 3.379 1.00 0.00 H new ATOM 0 HA ARG A 66 17.158 9.540 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.418 11.289 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.772 10.102 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.123 9.235 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.705 10.557 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.876 11.234 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.602 12.177 5.995 1.00 0.00 H new ATOM 0 HE ARG A 66 16.743 9.705 7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.145 13.208 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.044 13.431 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.340 9.994 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.026 11.620 9.764 1.00 0.00 H new ATOM 1098 N ASP A 67 15.782 7.177 4.230 1.00 0.00 N ATOM 1099 CA ASP A 67 15.989 5.891 4.870 1.00 0.00 C ATOM 1100 C ASP A 67 14.870 4.943 4.482 1.00 0.00 C ATOM 1101 O ASP A 67 13.791 5.378 4.067 1.00 0.00 O ATOM 1102 CB ASP A 67 16.021 6.045 6.400 1.00 0.00 C ATOM 1103 CG ASP A 67 17.180 6.877 6.903 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.320 6.372 6.918 1.00 0.00 O ATOM 1105 OD2 ASP A 67 16.951 8.031 7.317 1.00 0.00 O ATOM 0 H ASP A 67 14.808 7.480 4.202 1.00 0.00 H new ATOM 0 HA ASP A 67 16.946 5.489 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.088 6.501 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.071 5.056 6.855 1.00 0.00 H new ATOM 1110 N ALA A 68 15.116 3.648 4.633 1.00 0.00 N ATOM 1111 CA ALA A 68 14.112 2.644 4.313 1.00 0.00 C ATOM 1112 C ALA A 68 12.978 2.709 5.317 1.00 0.00 C ATOM 1113 O ALA A 68 11.890 2.195 5.075 1.00 0.00 O ATOM 1114 CB ALA A 68 14.716 1.252 4.300 1.00 0.00 C ATOM 0 H ALA A 68 16.000 3.270 4.974 1.00 0.00 H new ATOM 0 HA ALA A 68 13.724 2.855 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.943 0.522 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.506 1.205 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.133 1.027 5.282 1.00 0.00 H new ATOM 1120 N GLN A 69 13.243 3.352 6.443 1.00 0.00 N ATOM 1121 CA GLN A 69 12.232 3.540 7.463 1.00 0.00 C ATOM 1122 C GLN A 69 11.211 4.570 6.996 1.00 0.00 C ATOM 1123 O GLN A 69 10.034 4.475 7.323 1.00 0.00 O ATOM 1124 CB GLN A 69 12.856 3.972 8.786 1.00 0.00 C ATOM 1125 CG GLN A 69 11.851 4.000 9.921 1.00 0.00 C ATOM 1126 CD GLN A 69 11.347 2.622 10.300 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.338 2.150 9.772 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.043 1.965 11.211 1.00 0.00 N ATOM 0 H GLN A 69 14.153 3.752 6.671 1.00 0.00 H new ATOM 0 HA GLN A 69 11.730 2.587 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.668 3.291 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.296 4.963 8.670 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.309 4.466 10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.005 4.624 9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.873 2.391 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.751 1.032 11.501 1.00 0.00 H new ATOM 1137 N GLU A 70 11.666 5.550 6.215 1.00 0.00 N ATOM 1138 CA GLU A 70 10.757 6.505 5.598 1.00 0.00 C ATOM 1139 C GLU A 70 9.905 5.799 4.562 1.00 0.00 C ATOM 1140 O GLU A 70 8.738 6.131 4.365 1.00 0.00 O ATOM 1141 CB GLU A 70 11.502 7.664 4.942 1.00 0.00 C ATOM 1142 CG GLU A 70 12.084 8.657 5.927 1.00 0.00 C ATOM 1143 CD GLU A 70 12.403 9.975 5.262 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.508 10.112 4.710 1.00 0.00 O ATOM 1145 OE2 GLU A 70 11.531 10.872 5.267 1.00 0.00 O ATOM 0 H GLU A 70 12.651 5.700 5.998 1.00 0.00 H new ATOM 0 HA GLU A 70 10.128 6.919 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.308 7.263 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.820 8.189 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.377 8.821 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.990 8.243 6.370 1.00 0.00 H new ATOM 1152 N PHE A 71 10.503 4.822 3.902 1.00 0.00 N ATOM 1153 CA PHE A 71 9.765 3.972 2.991 1.00 0.00 C ATOM 1154 C PHE A 71 8.733 3.160 3.764 1.00 0.00 C ATOM 1155 O PHE A 71 7.549 3.187 3.437 1.00 0.00 O ATOM 1156 CB PHE A 71 10.714 3.051 2.217 1.00 0.00 C ATOM 1157 CG PHE A 71 10.049 1.802 1.701 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.416 1.804 0.477 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.055 0.632 2.445 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.798 0.664 -0.003 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.437 -0.506 1.974 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.807 -0.492 0.749 1.00 0.00 C ATOM 0 H PHE A 71 11.495 4.600 3.981 1.00 0.00 H new ATOM 0 HA PHE A 71 9.247 4.600 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.137 3.602 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.544 2.770 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.402 2.707 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.550 0.612 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.309 0.679 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.447 -1.409 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.322 -1.383 0.379 1.00 0.00 H new ATOM 1172 N ALA A 72 9.194 2.452 4.798 1.00 0.00 N ATOM 1173 CA ALA A 72 8.324 1.643 5.637 1.00 0.00 C ATOM 1174 C ALA A 72 7.204 2.494 6.219 1.00 0.00 C ATOM 1175 O ALA A 72 6.062 2.047 6.337 1.00 0.00 O ATOM 1176 CB ALA A 72 9.132 0.975 6.740 1.00 0.00 C ATOM 0 H ALA A 72 10.176 2.427 5.071 1.00 0.00 H new ATOM 0 HA ALA A 72 7.870 0.863 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.470 0.372 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.895 0.336 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.611 1.738 7.354 1.00 0.00 H new ATOM 1182 N ALA A 73 7.547 3.727 6.561 1.00 0.00 N ATOM 1183 CA ALA A 73 6.587 4.698 7.048 1.00 0.00 C ATOM 1184 C ALA A 73 5.456 4.899 6.041 1.00 0.00 C ATOM 1185 O ALA A 73 4.276 4.829 6.393 1.00 0.00 O ATOM 1186 CB ALA A 73 7.291 6.017 7.326 1.00 0.00 C ATOM 0 H ALA A 73 8.502 4.080 6.507 1.00 0.00 H new ATOM 0 HA ALA A 73 6.149 4.323 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.568 6.746 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.065 5.865 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.746 6.387 6.407 1.00 0.00 H new ATOM 1192 N ASP A 74 5.834 5.104 4.786 1.00 0.00 N ATOM 1193 CA ASP A 74 4.888 5.456 3.735 1.00 0.00 C ATOM 1194 C ASP A 74 4.097 4.235 3.253 1.00 0.00 C ATOM 1195 O ASP A 74 2.884 4.310 3.052 1.00 0.00 O ATOM 1196 CB ASP A 74 5.645 6.096 2.565 1.00 0.00 C ATOM 1197 CG ASP A 74 4.900 7.262 1.945 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.078 7.897 2.643 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.166 7.579 0.768 1.00 0.00 O ATOM 0 H ASP A 74 6.801 5.031 4.469 1.00 0.00 H new ATOM 0 HA ASP A 74 4.170 6.167 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.619 6.438 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.827 5.341 1.801 1.00 0.00 H new ATOM 1204 N VAL A 75 4.783 3.105 3.084 1.00 0.00 N ATOM 1205 CA VAL A 75 4.139 1.884 2.592 1.00 0.00 C ATOM 1206 C VAL A 75 3.153 1.316 3.614 1.00 0.00 C ATOM 1207 O VAL A 75 2.043 0.918 3.255 1.00 0.00 O ATOM 1208 CB VAL A 75 5.172 0.799 2.185 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.165 0.533 3.296 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.494 -0.501 1.776 1.00 0.00 C ATOM 0 H VAL A 75 5.779 3.008 3.279 1.00 0.00 H new ATOM 0 HA VAL A 75 3.584 2.170 1.698 1.00 0.00 H new ATOM 0 HB VAL A 75 5.711 1.191 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.873 -0.232 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.704 1.451 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.634 0.188 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.251 -1.234 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.907 -0.884 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.838 -0.317 0.925 1.00 0.00 H new ATOM 1220 N ARG A 76 3.534 1.300 4.889 1.00 0.00 N ATOM 1221 CA ARG A 76 2.643 0.770 5.916 1.00 0.00 C ATOM 1222 C ARG A 76 1.484 1.739 6.145 1.00 0.00 C ATOM 1223 O ARG A 76 0.388 1.332 6.523 1.00 0.00 O ATOM 1224 CB ARG A 76 3.389 0.482 7.230 1.00 0.00 C ATOM 1225 CG ARG A 76 3.336 1.617 8.240 1.00 0.00 C ATOM 1226 CD ARG A 76 4.097 1.295 9.523 1.00 0.00 C ATOM 1227 NE ARG A 76 4.106 2.433 10.438 1.00 0.00 N ATOM 1228 CZ ARG A 76 4.883 2.520 11.515 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.693 1.522 11.840 1.00 0.00 N ATOM 1230 NH2 ARG A 76 4.845 3.608 12.271 1.00 0.00 N ATOM 0 H ARG A 76 4.433 1.640 5.230 1.00 0.00 H new ATOM 0 HA ARG A 76 2.247 -0.182 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.967 -0.414 7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.432 0.263 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.753 2.518 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.296 1.834 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.639 0.436 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.122 1.014 9.279 1.00 0.00 H new ATOM 0 HE ARG A 76 3.477 3.211 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.723 0.681 11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.286 1.595 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.221 4.377 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.440 3.676 13.097 1.00 0.00 H new ATOM 1244 N LEU A 77 1.733 3.026 5.894 1.00 0.00 N ATOM 1245 CA LEU A 77 0.685 4.036 5.952 1.00 0.00 C ATOM 1246 C LEU A 77 -0.367 3.767 4.883 1.00 0.00 C ATOM 1247 O LEU A 77 -1.552 4.052 5.072 1.00 0.00 O ATOM 1248 CB LEU A 77 1.284 5.427 5.756 1.00 0.00 C ATOM 1249 CG LEU A 77 1.051 6.408 6.902 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.652 7.752 6.560 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.436 6.536 7.199 1.00 0.00 C ATOM 0 H LEU A 77 2.654 3.389 5.649 1.00 0.00 H new ATOM 0 HA LEU A 77 0.210 3.990 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.358 5.323 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.871 5.856 4.843 1.00 0.00 H new ATOM 0 HG LEU A 77 1.541 6.029 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.482 8.447 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.724 7.640 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.185 8.140 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.584 7.239 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.954 6.899 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.836 5.562 7.480 1.00 0.00 H new ATOM 1263 N MET A 78 0.074 3.215 3.762 1.00 0.00 N ATOM 1264 CA MET A 78 -0.834 2.829 2.695 1.00 0.00 C ATOM 1265 C MET A 78 -1.764 1.716 3.167 1.00 0.00 C ATOM 1266 O MET A 78 -2.983 1.833 3.061 1.00 0.00 O ATOM 1267 CB MET A 78 -0.051 2.402 1.451 1.00 0.00 C ATOM 1268 CG MET A 78 -0.913 1.755 0.377 1.00 0.00 C ATOM 1269 SD MET A 78 -0.759 -0.037 0.365 1.00 0.00 S ATOM 1270 CE MET A 78 0.938 -0.219 -0.177 1.00 0.00 C ATOM 0 H MET A 78 1.057 3.025 3.569 1.00 0.00 H new ATOM 0 HA MET A 78 -1.445 3.691 2.427 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.446 3.275 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.731 1.702 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.956 2.027 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.629 2.148 -0.599 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.030 -1.115 -0.791 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.229 0.654 -0.762 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.590 -0.307 0.692 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.193 0.647 3.707 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.999 -0.443 4.259 1.00 0.00 C ATOM 1282 C PHE A 79 -2.885 0.060 5.401 1.00 0.00 C ATOM 1283 O PHE A 79 -4.014 -0.404 5.581 1.00 0.00 O ATOM 1284 CB PHE A 79 -1.106 -1.592 4.748 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.272 -2.210 3.663 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.866 -2.791 2.554 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.108 -2.205 3.750 1.00 0.00 C ATOM 1288 CE1 PHE A 79 -0.097 -3.352 1.551 1.00 0.00 C ATOM 1289 CE2 PHE A 79 1.882 -2.765 2.754 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.282 -3.337 1.652 1.00 0.00 C ATOM 0 H PHE A 79 -0.185 0.508 3.776 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.640 -0.820 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.448 -1.220 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.733 -2.363 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.943 -2.806 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.586 -1.757 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.572 -3.801 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.959 -2.755 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.887 -3.772 0.870 1.00 0.00 H new ATOM 1300 N SER A 80 -2.375 1.028 6.157 1.00 0.00 N ATOM 1301 CA SER A 80 -3.105 1.601 7.276 1.00 0.00 C ATOM 1302 C SER A 80 -4.374 2.316 6.804 1.00 0.00 C ATOM 1303 O SER A 80 -5.452 2.107 7.368 1.00 0.00 O ATOM 1304 CB SER A 80 -2.206 2.572 8.049 1.00 0.00 C ATOM 1305 OG SER A 80 -2.833 3.020 9.238 1.00 0.00 O ATOM 0 H SER A 80 -1.450 1.433 6.010 1.00 0.00 H new ATOM 0 HA SER A 80 -3.404 0.787 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.264 2.081 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.965 3.428 7.418 1.00 0.00 H new ATOM 0 HG SER A 80 -2.236 3.637 9.711 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.258 3.150 5.766 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.421 3.887 5.266 1.00 0.00 C ATOM 1313 C ASN A 81 -6.430 2.937 4.615 1.00 0.00 C ATOM 1314 O ASN A 81 -7.624 3.227 4.582 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.027 5.024 4.300 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.578 4.561 2.925 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.394 4.225 2.068 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.282 4.607 2.681 1.00 0.00 N ATOM 0 H ASN A 81 -3.388 3.329 5.264 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.895 4.357 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.879 5.694 4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.224 5.605 4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.928 4.359 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.634 4.890 3.416 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.957 1.789 4.139 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.850 0.778 3.574 1.00 0.00 C ATOM 1327 C CYS A 82 -7.794 0.251 4.650 1.00 0.00 C ATOM 1328 O CYS A 82 -9.000 0.174 4.437 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.063 -0.387 2.958 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.882 0.103 1.679 1.00 0.00 S ATOM 0 H CYS A 82 -4.969 1.535 4.132 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.429 1.252 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.526 -0.907 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.768 -1.100 2.531 1.00 0.00 H new ATOM 0 HG CYS A 82 -3.833 0.632 2.236 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.246 -0.089 5.819 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.079 -0.543 6.931 1.00 0.00 C ATOM 1338 C TYR A 83 -8.933 0.604 7.450 1.00 0.00 C ATOM 1339 O TYR A 83 -9.974 0.393 8.068 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.242 -1.073 8.100 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.335 -2.243 7.777 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.787 -3.308 7.009 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -5.030 -2.293 8.268 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.968 -4.387 6.737 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.211 -3.368 7.996 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.682 -4.410 7.234 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.865 -5.479 6.969 1.00 0.00 O ATOM 0 H TYR A 83 -6.246 -0.059 6.017 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.702 -1.350 6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.630 -0.257 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.918 -1.370 8.902 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.794 -3.293 6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.656 -1.478 8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.333 -5.208 6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.202 -3.391 8.381 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.932 -5.180 6.945 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.473 1.821 7.212 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.153 3.003 7.712 1.00 0.00 C ATOM 1359 C LYS A 84 -10.414 3.271 6.899 1.00 0.00 C ATOM 1360 O LYS A 84 -11.415 3.750 7.430 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.210 4.212 7.666 1.00 0.00 C ATOM 1362 CG LYS A 84 -8.202 5.039 8.949 1.00 0.00 C ATOM 1363 CD LYS A 84 -9.588 5.556 9.310 1.00 0.00 C ATOM 1364 CE LYS A 84 -10.047 6.646 8.355 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.296 7.911 8.553 1.00 0.00 N ATOM 0 H LYS A 84 -7.629 2.016 6.674 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.445 2.832 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.197 3.863 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.498 4.854 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.818 4.431 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.521 5.882 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.301 4.731 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.578 5.945 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.919 6.305 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.112 6.830 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.592 8.606 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.492 8.286 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.277 7.728 8.457 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.362 2.963 5.613 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.520 3.148 4.749 1.00 0.00 C ATOM 1381 C TYR A 85 -12.360 1.871 4.652 1.00 0.00 C ATOM 1382 O TYR A 85 -13.573 1.899 4.853 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.087 3.597 3.353 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.256 3.922 2.441 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.827 5.185 2.466 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.803 2.978 1.577 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -13.903 5.502 1.663 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.875 3.286 0.768 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.422 4.551 0.816 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.497 4.867 0.021 1.00 0.00 O ATOM 0 H TYR A 85 -9.537 2.586 5.146 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.138 3.926 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.449 4.476 3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.485 2.812 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.421 5.936 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.379 1.985 1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.335 6.491 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.284 2.542 0.101 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.314 4.490 0.410 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.719 0.753 4.338 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.434 -0.498 4.110 1.00 0.00 C ATOM 1402 C ASN A 86 -12.772 -1.167 5.435 1.00 0.00 C ATOM 1403 O ASN A 86 -11.908 -1.310 6.301 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.601 -1.463 3.252 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.002 -0.815 2.019 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -9.951 -1.226 1.540 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -11.668 0.188 1.488 1.00 0.00 N ATOM 0 H ASN A 86 -10.706 0.686 4.235 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.355 -0.259 3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.798 -1.877 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.230 -2.298 2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.313 0.650 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.540 0.504 1.914 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.041 -1.571 5.615 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.477 -2.300 6.810 1.00 0.00 C ATOM 1416 C PRO A 87 -13.776 -3.657 6.942 1.00 0.00 C ATOM 1417 O PRO A 87 -13.270 -4.201 5.958 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.987 -2.486 6.603 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.232 -2.252 5.153 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.151 -1.325 4.679 1.00 0.00 C ATOM 0 HA PRO A 87 -14.234 -1.760 7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.301 -3.488 6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.554 -1.783 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.207 -3.191 4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.217 -1.813 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -14.862 -1.541 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.475 -0.285 4.708 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.755 -4.209 8.180 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.956 -5.393 8.558 1.00 0.00 C ATOM 1430 C PRO A 88 -13.102 -6.587 7.622 1.00 0.00 C ATOM 1431 O PRO A 88 -12.201 -7.426 7.539 1.00 0.00 O ATOM 1432 CB PRO A 88 -13.478 -5.760 9.955 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.713 -4.949 10.151 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.516 -3.710 9.334 1.00 0.00 C ATOM 0 HA PRO A 88 -11.894 -5.153 8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.695 -6.826 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.736 -5.535 10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.597 -5.497 9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.859 -4.705 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.465 -3.267 9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.967 -2.945 9.883 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.227 -6.668 6.928 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.473 -7.766 6.004 1.00 0.00 C ATOM 1444 C ASP A 89 -14.636 -7.246 4.581 1.00 0.00 C ATOM 1445 O ASP A 89 -15.727 -6.846 4.169 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.709 -8.579 6.420 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.988 -9.733 5.475 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -15.159 -10.667 5.401 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -17.049 -9.724 4.818 1.00 0.00 O ATOM 0 H ASP A 89 -14.984 -5.987 6.987 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.607 -8.427 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.563 -8.966 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.578 -7.922 6.453 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.535 -7.228 3.847 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.545 -6.830 2.447 1.00 0.00 C ATOM 1456 C HIS A 90 -12.271 -7.339 1.778 1.00 0.00 C ATOM 1457 O HIS A 90 -11.265 -7.534 2.454 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.621 -5.298 2.309 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.279 -4.823 1.028 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.612 -4.787 -0.180 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.539 -4.366 0.759 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.423 -4.336 -1.120 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.593 -4.075 -0.580 1.00 0.00 N ATOM 0 H HIS A 90 -12.614 -7.487 4.201 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.423 -7.260 1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.172 -4.894 3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.612 -4.889 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.344 -4.255 1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.167 -4.203 -2.161 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.408 -3.715 -1.076 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.300 -7.551 0.473 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.131 -8.075 -0.243 1.00 0.00 C ATOM 1474 C ASP A 91 -9.870 -7.253 0.024 1.00 0.00 C ATOM 1475 O ASP A 91 -8.807 -7.810 0.293 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.390 -8.126 -1.750 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.292 -9.273 -2.156 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -11.772 -10.383 -2.390 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.520 -9.071 -2.243 1.00 0.00 O ATOM 0 H ASP A 91 -13.112 -7.372 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.966 -9.084 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.841 -7.186 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.438 -8.216 -2.274 1.00 0.00 H new ATOM 1484 N VAL A 92 -9.999 -5.930 -0.012 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.838 -5.045 0.056 1.00 0.00 C ATOM 1486 C VAL A 92 -8.130 -5.146 1.403 1.00 0.00 C ATOM 1487 O VAL A 92 -6.921 -4.960 1.477 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.194 -3.570 -0.232 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.206 -2.971 -1.212 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.608 -3.433 -0.762 1.00 0.00 C ATOM 0 H VAL A 92 -10.894 -5.447 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.162 -5.386 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.136 -3.024 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.470 -1.931 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.202 -3.018 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.234 -3.532 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.825 -2.382 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.706 -3.998 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.312 -3.820 -0.025 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.866 -5.473 2.462 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.255 -5.592 3.780 1.00 0.00 C ATOM 1502 C VAL A 93 -7.573 -6.949 3.928 1.00 0.00 C ATOM 1503 O VAL A 93 -6.527 -7.064 4.560 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.271 -5.376 4.932 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.007 -4.066 4.748 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.262 -6.519 5.035 1.00 0.00 C ATOM 0 H VAL A 93 -9.869 -5.657 2.434 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.511 -4.799 3.857 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.704 -5.344 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.716 -3.929 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.292 -3.244 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.544 -4.080 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.955 -6.327 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.818 -6.603 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.726 -7.449 5.223 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.162 -7.968 3.316 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.577 -9.302 3.312 1.00 0.00 C ATOM 1518 C ALA A 94 -6.312 -9.319 2.467 1.00 0.00 C ATOM 1519 O ALA A 94 -5.312 -9.941 2.833 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.581 -10.322 2.797 1.00 0.00 C ATOM 0 H ALA A 94 -9.047 -7.895 2.815 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.313 -9.571 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.127 -11.313 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.461 -10.323 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.875 -10.062 1.780 1.00 0.00 H new ATOM 1526 N MET A 95 -6.356 -8.622 1.339 1.00 0.00 N ATOM 1527 CA MET A 95 -5.184 -8.481 0.490 1.00 0.00 C ATOM 1528 C MET A 95 -4.133 -7.626 1.191 1.00 0.00 C ATOM 1529 O MET A 95 -2.933 -7.863 1.046 1.00 0.00 O ATOM 1530 CB MET A 95 -5.558 -7.870 -0.870 1.00 0.00 C ATOM 1531 CG MET A 95 -6.472 -8.754 -1.721 1.00 0.00 C ATOM 1532 SD MET A 95 -6.643 -8.154 -3.417 1.00 0.00 S ATOM 1533 CE MET A 95 -8.097 -7.112 -3.299 1.00 0.00 C ATOM 0 H MET A 95 -7.190 -8.147 0.993 1.00 0.00 H new ATOM 0 HA MET A 95 -4.769 -9.472 0.307 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.050 -6.912 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.644 -7.666 -1.428 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.076 -9.769 -1.738 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.457 -8.804 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.944 -7.614 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.323 -6.921 -2.250 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.909 -6.167 -3.808 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.592 -6.656 1.984 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.692 -5.792 2.742 1.00 0.00 C ATOM 1545 C ALA A 96 -2.931 -6.599 3.788 1.00 0.00 C ATOM 1546 O ALA A 96 -1.716 -6.479 3.910 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.459 -4.659 3.407 1.00 0.00 C ATOM 0 H ALA A 96 -5.582 -6.451 2.116 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.975 -5.358 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.766 -4.029 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.959 -4.061 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.202 -5.073 4.088 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.657 -7.435 4.527 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.066 -8.260 5.583 1.00 0.00 C ATOM 1555 C ARG A 97 -1.981 -9.182 5.032 1.00 0.00 C ATOM 1556 O ARG A 97 -0.894 -9.297 5.602 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.145 -9.105 6.266 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.183 -8.298 7.025 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.305 -9.184 7.535 1.00 0.00 C ATOM 1560 NE ARG A 97 -7.354 -8.414 8.205 1.00 0.00 N ATOM 1561 CZ ARG A 97 -8.643 -8.451 7.862 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -9.046 -9.220 6.858 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -9.533 -7.723 8.529 1.00 0.00 N ATOM 0 H ARG A 97 -4.663 -7.561 4.414 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.613 -7.584 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.651 -9.707 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.664 -9.798 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.709 -7.789 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.594 -7.526 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.738 -9.736 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.898 -9.921 8.228 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.083 -7.812 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.369 -9.786 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.032 -9.245 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.231 -7.134 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.518 -7.753 8.265 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.286 -9.838 3.924 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.375 -10.813 3.333 1.00 0.00 C ATOM 1579 C LYS A 98 -0.142 -10.125 2.735 1.00 0.00 C ATOM 1580 O LYS A 98 0.991 -10.592 2.901 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.124 -11.629 2.277 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.339 -12.809 1.729 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.143 -13.573 0.694 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.356 -14.741 0.138 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.193 -15.621 -0.724 1.00 0.00 N ATOM 0 H LYS A 98 -3.160 -9.714 3.412 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.018 -11.486 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.055 -11.996 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.394 -10.972 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.410 -12.455 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.065 -13.477 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.067 -13.936 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.425 -12.903 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.511 -14.366 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.945 -15.325 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.614 -16.407 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.985 -16.000 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.565 -15.071 -1.525 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.360 -9.015 2.044 1.00 0.00 N ATOM 1600 CA LEU A 99 0.739 -8.205 1.522 1.00 0.00 C ATOM 1601 C LEU A 99 1.542 -7.557 2.648 1.00 0.00 C ATOM 1602 O LEU A 99 2.746 -7.338 2.515 1.00 0.00 O ATOM 1603 CB LEU A 99 0.234 -7.111 0.580 1.00 0.00 C ATOM 1604 CG LEU A 99 0.206 -7.439 -0.920 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.723 -6.249 -1.694 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.052 -8.651 -1.262 1.00 0.00 C ATOM 0 H LEU A 99 -1.289 -8.652 1.830 1.00 0.00 H new ATOM 0 HA LEU A 99 1.385 -8.885 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.777 -6.841 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.857 -6.228 0.722 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.826 -7.666 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.706 -6.474 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.091 -5.383 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.745 -6.030 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.999 -8.841 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.087 -8.464 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.678 -9.520 -0.720 1.00 0.00 H new ATOM 1618 N GLN A 100 0.883 -7.234 3.748 1.00 0.00 N ATOM 1619 CA GLN A 100 1.584 -6.680 4.896 1.00 0.00 C ATOM 1620 C GLN A 100 2.501 -7.747 5.491 1.00 0.00 C ATOM 1621 O GLN A 100 3.547 -7.438 6.051 1.00 0.00 O ATOM 1622 CB GLN A 100 0.579 -6.157 5.947 1.00 0.00 C ATOM 1623 CG GLN A 100 1.201 -5.435 7.146 1.00 0.00 C ATOM 1624 CD GLN A 100 0.174 -5.021 8.179 1.00 0.00 C ATOM 1625 OE1 GLN A 100 0.337 -4.008 8.859 1.00 0.00 O ATOM 1626 NE2 GLN A 100 -0.878 -5.808 8.324 1.00 0.00 N ATOM 0 H GLN A 100 -0.124 -7.343 3.871 1.00 0.00 H new ATOM 0 HA GLN A 100 2.192 -5.834 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.115 -5.476 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.007 -6.999 6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.938 -6.087 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.734 -4.551 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.977 -6.639 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.590 -5.584 9.019 1.00 0.00 H new ATOM 1635 N ASP A 101 2.107 -9.008 5.322 1.00 0.00 N ATOM 1636 CA ASP A 101 2.894 -10.144 5.796 1.00 0.00 C ATOM 1637 C ASP A 101 4.218 -10.256 5.037 1.00 0.00 C ATOM 1638 O ASP A 101 5.278 -10.412 5.645 1.00 0.00 O ATOM 1639 CB ASP A 101 2.082 -11.434 5.654 1.00 0.00 C ATOM 1640 CG ASP A 101 2.892 -12.683 5.933 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.354 -13.324 4.964 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.056 -13.041 7.115 1.00 0.00 O ATOM 0 H ASP A 101 1.239 -9.270 4.855 1.00 0.00 H new ATOM 0 HA ASP A 101 3.129 -9.985 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.234 -11.399 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.676 -11.490 4.644 1.00 0.00 H new ATOM 1647 N VAL A 102 4.161 -10.177 3.708 1.00 0.00 N ATOM 1648 CA VAL A 102 5.382 -10.226 2.899 1.00 0.00 C ATOM 1649 C VAL A 102 6.275 -9.020 3.193 1.00 0.00 C ATOM 1650 O VAL A 102 7.431 -9.183 3.580 1.00 0.00 O ATOM 1651 CB VAL A 102 5.088 -10.342 1.374 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.882 -9.533 0.971 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.283 -9.916 0.533 1.00 0.00 C ATOM 0 H VAL A 102 3.298 -10.080 3.174 1.00 0.00 H new ATOM 0 HA VAL A 102 5.914 -11.134 3.184 1.00 0.00 H new ATOM 0 HB VAL A 102 4.883 -11.396 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.712 -9.642 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.007 -9.889 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.053 -8.483 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.036 -10.012 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.533 -8.878 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.137 -10.552 0.766 1.00 0.00 H new ATOM 1663 N PHE A 103 5.722 -7.821 3.038 1.00 0.00 N ATOM 1664 CA PHE A 103 6.444 -6.577 3.330 1.00 0.00 C ATOM 1665 C PHE A 103 7.092 -6.598 4.724 1.00 0.00 C ATOM 1666 O PHE A 103 8.248 -6.196 4.872 1.00 0.00 O ATOM 1667 CB PHE A 103 5.497 -5.369 3.182 1.00 0.00 C ATOM 1668 CG PHE A 103 5.928 -4.155 3.976 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.149 -3.548 3.718 1.00 0.00 C ATOM 1670 CD2 PHE A 103 5.128 -3.631 4.994 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.567 -2.455 4.450 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.545 -2.534 5.723 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.766 -1.948 5.454 1.00 0.00 C ATOM 0 H PHE A 103 4.767 -7.679 2.709 1.00 0.00 H new ATOM 0 HA PHE A 103 7.254 -6.485 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.431 -5.098 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.496 -5.663 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.781 -3.936 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.174 -4.088 5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.521 -1.996 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.915 -2.134 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.094 -1.094 6.028 1.00 0.00 H new ATOM 1683 N GLU A 104 6.379 -7.097 5.732 1.00 0.00 N ATOM 1684 CA GLU A 104 6.875 -7.017 7.106 1.00 0.00 C ATOM 1685 C GLU A 104 8.069 -7.944 7.314 1.00 0.00 C ATOM 1686 O GLU A 104 9.011 -7.595 8.024 1.00 0.00 O ATOM 1687 CB GLU A 104 5.767 -7.316 8.130 1.00 0.00 C ATOM 1688 CG GLU A 104 5.594 -8.788 8.487 1.00 0.00 C ATOM 1689 CD GLU A 104 4.487 -9.002 9.496 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.749 -8.851 10.709 1.00 0.00 O ATOM 1691 OE2 GLU A 104 3.350 -9.315 9.089 1.00 0.00 O ATOM 0 H GLU A 104 5.473 -7.553 5.628 1.00 0.00 H new ATOM 0 HA GLU A 104 7.206 -5.992 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.978 -6.759 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.822 -6.940 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.375 -9.357 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.530 -9.176 8.889 1.00 0.00 H new ATOM 1698 N PHE A 105 8.041 -9.112 6.681 1.00 0.00 N ATOM 1699 CA PHE A 105 9.138 -10.062 6.804 1.00 0.00 C ATOM 1700 C PHE A 105 10.280 -9.699 5.870 1.00 0.00 C ATOM 1701 O PHE A 105 11.438 -10.011 6.142 1.00 0.00 O ATOM 1702 CB PHE A 105 8.664 -11.489 6.547 1.00 0.00 C ATOM 1703 CG PHE A 105 8.080 -12.138 7.766 1.00 0.00 C ATOM 1704 CD1 PHE A 105 6.712 -12.135 7.988 1.00 0.00 C ATOM 1705 CD2 PHE A 105 8.906 -12.743 8.699 1.00 0.00 C ATOM 1706 CE1 PHE A 105 6.180 -12.725 9.117 1.00 0.00 C ATOM 1707 CE2 PHE A 105 8.379 -13.335 9.829 1.00 0.00 C ATOM 1708 CZ PHE A 105 7.014 -13.326 10.039 1.00 0.00 C ATOM 0 H PHE A 105 7.276 -9.421 6.082 1.00 0.00 H new ATOM 0 HA PHE A 105 9.507 -10.010 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.917 -11.481 5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.503 -12.086 6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.055 -11.666 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.974 -12.752 8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.112 -12.717 9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.033 -13.805 10.548 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.600 -13.788 10.923 1.00 0.00 H new ATOM 1718 N ARG A 106 9.952 -9.032 4.774 1.00 0.00 N ATOM 1719 CA ARG A 106 10.964 -8.505 3.881 1.00 0.00 C ATOM 1720 C ARG A 106 11.756 -7.417 4.600 1.00 0.00 C ATOM 1721 O ARG A 106 12.987 -7.402 4.567 1.00 0.00 O ATOM 1722 CB ARG A 106 10.311 -7.946 2.612 1.00 0.00 C ATOM 1723 CG ARG A 106 9.761 -9.004 1.670 1.00 0.00 C ATOM 1724 CD ARG A 106 10.871 -9.798 1.001 1.00 0.00 C ATOM 1725 NE ARG A 106 10.342 -10.894 0.191 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.821 -11.242 -1.005 1.00 0.00 C ATOM 1727 NH1 ARG A 106 11.831 -10.568 -1.550 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.281 -12.266 -1.656 1.00 0.00 N ATOM 0 H ARG A 106 8.992 -8.845 4.484 1.00 0.00 H new ATOM 0 HA ARG A 106 11.643 -9.306 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.500 -7.277 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.045 -7.345 2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.113 -9.682 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.145 -8.527 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.464 -9.134 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.541 -10.199 1.762 1.00 0.00 H new ATOM 0 HE ARG A 106 9.556 -11.427 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.245 -9.779 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.191 -10.840 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.505 -12.782 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.643 -12.537 -2.570 1.00 0.00 H new ATOM 1742 N TYR A 107 11.037 -6.516 5.268 1.00 0.00 N ATOM 1743 CA TYR A 107 11.673 -5.441 6.028 1.00 0.00 C ATOM 1744 C TYR A 107 12.335 -6.001 7.291 1.00 0.00 C ATOM 1745 O TYR A 107 13.284 -5.423 7.816 1.00 0.00 O ATOM 1746 CB TYR A 107 10.653 -4.343 6.390 1.00 0.00 C ATOM 1747 CG TYR A 107 11.280 -3.073 6.943 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.633 -2.022 6.104 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.529 -2.928 8.303 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.214 -0.873 6.603 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.107 -1.777 8.809 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.449 -0.754 7.952 1.00 0.00 C ATOM 1753 OH TYR A 107 13.028 0.392 8.442 1.00 0.00 O ATOM 0 H TYR A 107 10.017 -6.509 5.298 1.00 0.00 H new ATOM 0 HA TYR A 107 12.444 -4.990 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.074 -4.093 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.953 -4.740 7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.449 -2.106 5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.266 -3.729 8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.483 -0.069 5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.289 -1.681 9.869 1.00 0.00 H new ATOM 0 HH TYR A 107 13.125 0.319 9.414 1.00 0.00 H new ATOM 1763 N ALA A 108 11.832 -7.135 7.772 1.00 0.00 N ATOM 1764 CA ALA A 108 12.421 -7.806 8.925 1.00 0.00 C ATOM 1765 C ALA A 108 13.780 -8.390 8.567 1.00 0.00 C ATOM 1766 O ALA A 108 14.720 -8.342 9.361 1.00 0.00 O ATOM 1767 CB ALA A 108 11.495 -8.895 9.443 1.00 0.00 C ATOM 0 H ALA A 108 11.018 -7.608 7.380 1.00 0.00 H new ATOM 0 HA ALA A 108 12.559 -7.068 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.953 -9.383 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.544 -8.453 9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.323 -9.631 8.657 1.00 0.00 H new ATOM 1773 N LYS A 109 13.878 -8.932 7.361 1.00 0.00 N ATOM 1774 CA LYS A 109 15.133 -9.478 6.869 1.00 0.00 C ATOM 1775 C LYS A 109 16.096 -8.341 6.547 1.00 0.00 C ATOM 1776 O LYS A 109 17.314 -8.518 6.549 1.00 0.00 O ATOM 1777 CB LYS A 109 14.888 -10.323 5.620 1.00 0.00 C ATOM 1778 CG LYS A 109 15.530 -11.702 5.672 1.00 0.00 C ATOM 1779 CD LYS A 109 14.886 -12.598 6.725 1.00 0.00 C ATOM 1780 CE LYS A 109 13.429 -12.908 6.405 1.00 0.00 C ATOM 1781 NZ LYS A 109 12.824 -13.828 7.407 1.00 0.00 N ATOM 0 H LYS A 109 13.101 -9.005 6.705 1.00 0.00 H new ATOM 0 HA LYS A 109 15.570 -10.112 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.814 -10.438 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.270 -9.788 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.448 -12.176 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.593 -11.598 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.446 -13.530 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.947 -12.112 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.859 -11.980 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.363 -13.356 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.833 -14.014 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.352 -14.724 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.864 -13.390 8.349 1.00 0.00 H new ATOM 1795 N MET A 110 15.527 -7.175 6.268 1.00 0.00 N ATOM 1796 CA MET A 110 16.303 -5.975 5.984 1.00 0.00 C ATOM 1797 C MET A 110 16.994 -5.462 7.248 1.00 0.00 C ATOM 1798 O MET A 110 16.340 -5.157 8.245 1.00 0.00 O ATOM 1799 CB MET A 110 15.393 -4.890 5.384 1.00 0.00 C ATOM 1800 CG MET A 110 16.045 -3.522 5.241 1.00 0.00 C ATOM 1801 SD MET A 110 15.898 -2.518 6.730 1.00 0.00 S ATOM 1802 CE MET A 110 16.663 -1.005 6.177 1.00 0.00 C ATOM 0 H MET A 110 14.517 -7.035 6.232 1.00 0.00 H new ATOM 0 HA MET A 110 17.076 -6.225 5.258 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.055 -5.221 4.402 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.506 -4.791 6.010 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.100 -3.651 4.998 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.588 -2.993 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.269 -0.167 6.752 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.742 -1.069 6.321 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.447 -0.853 5.120 1.00 0.00 H new ATOM 1812 N PRO A 111 18.333 -5.412 7.237 1.00 0.00 N ATOM 1813 CA PRO A 111 19.111 -4.850 8.328 1.00 0.00 C ATOM 1814 C PRO A 111 19.423 -3.369 8.114 1.00 0.00 C ATOM 1815 O PRO A 111 19.350 -2.862 6.991 1.00 0.00 O ATOM 1816 CB PRO A 111 20.387 -5.679 8.268 1.00 0.00 C ATOM 1817 CG PRO A 111 20.569 -5.995 6.819 1.00 0.00 C ATOM 1818 CD PRO A 111 19.207 -5.912 6.165 1.00 0.00 C ATOM 0 HA PRO A 111 18.590 -4.889 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.238 -5.124 8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.297 -6.588 8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.261 -5.291 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.995 -6.990 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.215 -5.238 5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.878 -6.885 5.802 1.00 0.00 H new ATOM 1826 N ASP A 112 19.783 -2.684 9.186 1.00 0.00 N ATOM 1827 CA ASP A 112 20.206 -1.294 9.093 1.00 0.00 C ATOM 1828 C ASP A 112 21.717 -1.209 9.206 1.00 0.00 C ATOM 1829 O ASP A 112 22.399 -1.382 8.175 1.00 0.00 O ATOM 1830 CB ASP A 112 19.550 -0.437 10.180 1.00 0.00 C ATOM 1831 CG ASP A 112 18.116 -0.072 9.858 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.890 0.996 9.237 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.203 -0.841 10.235 1.00 0.00 O ATOM 1834 OXT ASP A 112 22.226 -1.003 10.327 1.00 0.00 O ATOM 0 H ASP A 112 19.791 -3.066 10.132 1.00 0.00 H new ATOM 0 HA ASP A 112 19.890 -0.907 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.578 -0.976 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.130 0.476 10.315 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -20.271 9.091 8.007 1.00 0.00 N ATOM 1841 CA HIS B 281 -19.338 8.992 9.157 1.00 0.00 C ATOM 1842 C HIS B 281 -19.411 7.608 9.787 1.00 0.00 C ATOM 1843 O HIS B 281 -18.473 6.821 9.671 1.00 0.00 O ATOM 1844 CB HIS B 281 -19.640 10.061 10.212 1.00 0.00 C ATOM 1845 CG HIS B 281 -19.274 11.453 9.795 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -17.972 11.899 9.713 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -20.049 12.505 9.447 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -17.966 13.161 9.331 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -19.213 13.554 9.163 1.00 0.00 N ATOM 0 HA HIS B 281 -18.329 9.159 8.779 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -20.704 10.032 10.449 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -19.103 9.814 11.128 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -21.128 12.517 9.401 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -17.087 13.770 9.181 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -19.508 14.485 8.870 1.00 0.00 H new ATOM 1860 N ASN B 282 -20.526 7.307 10.451 1.00 0.00 N ATOM 1861 CA ASN B 282 -20.736 5.979 11.021 1.00 0.00 C ATOM 1862 C ASN B 282 -20.789 4.944 9.912 1.00 0.00 C ATOM 1863 O ASN B 282 -20.064 3.952 9.941 1.00 0.00 O ATOM 1864 CB ASN B 282 -22.020 5.930 11.853 1.00 0.00 C ATOM 1865 CG ASN B 282 -21.885 6.664 13.173 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -20.800 6.734 13.749 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -22.986 7.208 13.663 1.00 0.00 N ATOM 0 H ASN B 282 -21.293 7.961 10.606 1.00 0.00 H new ATOM 0 HA ASN B 282 -19.899 5.755 11.683 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -22.837 6.367 11.280 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -22.286 4.890 12.045 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -22.956 7.709 14.551 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -23.866 7.127 13.153 1.00 0.00 H new ATOM 1874 N LEU B 283 -21.641 5.185 8.925 1.00 0.00 N ATOM 1875 CA LEU B 283 -21.679 4.345 7.741 1.00 0.00 C ATOM 1876 C LEU B 283 -20.744 4.918 6.684 1.00 0.00 C ATOM 1877 O LEU B 283 -20.401 6.104 6.730 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.119 4.195 7.211 1.00 0.00 C ATOM 1879 CG LEU B 283 -23.945 5.484 7.080 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -23.503 6.313 5.879 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.425 5.151 6.979 1.00 0.00 C ATOM 0 H LEU B 283 -22.312 5.953 8.922 1.00 0.00 H new ATOM 0 HA LEU B 283 -21.336 3.344 8.001 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -23.073 3.720 6.231 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.655 3.513 7.871 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.775 6.083 7.975 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -24.109 7.217 5.818 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -22.454 6.586 5.992 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -23.630 5.729 4.967 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -26.000 6.073 6.887 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -25.598 4.526 6.103 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.739 4.616 7.875 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.320 4.085 5.748 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.353 4.501 4.747 1.00 0.00 C ATOM 1895 C LEU B 284 -19.499 3.665 3.483 1.00 0.00 C ATOM 1896 O LEU B 284 -19.652 2.444 3.552 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.933 4.359 5.311 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.792 4.720 4.353 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.851 6.186 3.964 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -15.451 4.397 4.986 1.00 0.00 C ATOM 0 H LEU B 284 -20.630 3.117 5.661 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.537 5.545 4.492 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -17.850 4.989 6.197 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.794 3.329 5.638 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.908 4.124 3.448 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.031 6.415 3.284 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.800 6.393 3.470 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -16.765 6.803 4.858 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -14.650 4.658 4.295 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -15.336 4.969 5.907 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.402 3.332 5.212 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.464 4.338 2.338 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.536 3.673 1.042 1.00 0.00 C ATOM 1914 C ARG B 285 -18.383 2.686 0.901 1.00 0.00 C ATOM 1915 O ARG B 285 -17.221 3.081 0.969 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.437 4.706 -0.083 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.482 5.808 -0.026 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.033 7.003 -0.847 1.00 0.00 C ATOM 1919 NE ARG B 285 -20.972 8.124 -0.789 1.00 0.00 N ATOM 1920 CZ ARG B 285 -20.626 9.370 -0.450 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -19.398 9.624 -0.014 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -21.513 10.350 -0.519 1.00 0.00 N ATOM 0 H ARG B 285 -19.385 5.353 2.282 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.487 3.145 0.975 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.447 5.161 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.523 4.191 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -21.434 5.436 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.646 6.110 1.008 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -19.058 7.335 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.906 6.696 -1.885 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.949 7.944 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -18.717 8.868 0.063 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -19.135 10.575 0.244 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.464 10.156 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -21.245 11.299 -0.259 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.687 1.413 0.714 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.635 0.423 0.569 1.00 0.00 C ATOM 1938 C ILE B 286 -17.039 0.485 -0.834 1.00 0.00 C ATOM 1939 O ILE B 286 -17.763 0.528 -1.830 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.122 -1.016 0.880 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.211 -1.463 -0.102 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.627 -1.100 2.314 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.735 -2.858 0.160 1.00 0.00 C ATOM 0 H ILE B 286 -19.637 1.045 0.660 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.867 0.667 1.303 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.275 -1.692 0.763 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -20.041 -0.758 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.813 -1.419 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.966 -2.115 2.521 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.821 -0.840 3.000 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.456 -0.405 2.449 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.502 -3.103 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.917 -3.574 0.083 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.164 -2.903 1.161 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.369 2.295 0.501 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.716 1.823 -0.430 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.190 1.742 -0.320 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.295 1.382 -1.533 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.730 1.413 -1.757 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.159 0.393 -2.795 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.635 0.518 -3.120 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.498 0.384 -1.878 1.00 0.00 C HETATM 1963 CA ALY B 287 -14.982 0.561 -2.153 1.00 0.00 C HETATM 1964 N ALY B 287 -15.714 0.545 -0.890 1.00 0.00 N HETATM 1965 C ALY B 287 -15.466 -0.556 -3.068 1.00 0.00 C HETATM 1966 O ALY B 287 -15.489 -1.724 -2.665 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.781 2.744 -0.188 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.919 1.124 0.536 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.783 1.301 -1.230 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.701 0.998 -2.268 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -12.915 -0.249 -3.842 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -12.823 1.483 -3.591 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.026 2.410 -2.083 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.249 1.217 -0.819 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -10.950 -0.612 -2.427 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.573 0.528 -3.704 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.157 1.517 -2.647 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.181 1.124 -1.143 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.333 -0.598 -1.434 1.00 0.00 H new HETATM 0 H ALY B 287 -15.211 0.427 -0.011 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.847 -0.202 -4.291 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.385 -1.174 -5.235 1.00 0.00 C ATOM 1983 C GLN B 288 -15.285 -2.042 -5.839 1.00 0.00 C ATOM 1984 O GLN B 288 -15.001 -1.977 -7.033 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.180 -0.480 -6.342 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.437 0.212 -5.842 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.309 0.736 -6.967 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -20.530 0.811 -6.835 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -18.694 1.094 -8.081 1.00 0.00 N ATOM 0 H GLN B 288 -15.793 0.751 -4.651 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.058 -1.825 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.541 0.254 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.456 -1.216 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -19.014 -0.487 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.156 1.040 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -17.679 1.017 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -19.234 1.448 -8.871 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.659 -2.836 -4.986 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.723 -3.862 -5.417 1.00 0.00 C ATOM 2000 C PHE B 289 -14.406 -5.217 -5.318 1.00 0.00 C ATOM 2001 O PHE B 289 -13.771 -6.238 -5.063 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.455 -3.846 -4.551 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.437 -2.810 -4.943 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.759 -1.776 -5.807 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.146 -2.882 -4.445 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.811 -0.835 -6.168 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.197 -1.944 -4.798 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.529 -0.918 -5.661 1.00 0.00 C ATOM 0 H PHE B 289 -14.785 -2.788 -3.975 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.426 -3.667 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.743 -3.678 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -11.988 -4.830 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.761 -1.704 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.879 -3.683 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.073 -0.036 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.195 -2.012 -4.400 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.788 -0.183 -5.939 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.717 -5.200 -5.504 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.531 -6.392 -5.357 1.00 0.00 C ATOM 2020 C LEU B 290 -16.546 -7.183 -6.654 1.00 0.00 C ATOM 2021 O LEU B 290 -17.334 -6.899 -7.558 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.961 -6.012 -4.961 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.088 -5.203 -3.669 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -19.524 -4.743 -3.465 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -17.626 -6.028 -2.482 1.00 0.00 C ATOM 0 H LEU B 290 -16.242 -4.364 -5.760 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.099 -7.012 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.406 -5.439 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.547 -6.925 -4.857 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.452 -4.322 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -19.594 -4.169 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -19.829 -4.118 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -20.179 -5.612 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -17.722 -5.439 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -18.240 -6.925 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -16.583 -6.314 -2.621 1.00 0.00 H new ATOM 2037 N GLN B 291 -15.654 -8.152 -6.754 1.00 0.00 N ATOM 2038 CA GLN B 291 -15.613 -9.021 -7.914 1.00 0.00 C ATOM 2039 C GLN B 291 -16.701 -10.082 -7.788 1.00 0.00 C ATOM 2040 O GLN B 291 -16.482 -11.156 -7.227 1.00 0.00 O ATOM 2041 CB GLN B 291 -14.230 -9.665 -8.052 1.00 0.00 C ATOM 2042 CG GLN B 291 -14.076 -10.520 -9.298 1.00 0.00 C ATOM 2043 CD GLN B 291 -12.689 -11.112 -9.436 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -11.699 -10.517 -9.014 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -12.609 -12.297 -10.020 1.00 0.00 N ATOM 0 H GLN B 291 -14.949 -8.356 -6.046 1.00 0.00 H new ATOM 0 HA GLN B 291 -15.796 -8.434 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -13.473 -8.881 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -14.036 -10.281 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -14.809 -11.326 -9.273 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -14.297 -9.915 -10.178 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -13.454 -12.758 -10.357 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -11.702 -12.749 -10.133 1.00 0.00 H new ATOM 2054 N SER B 292 -17.887 -9.749 -8.265 1.00 0.00 N ATOM 2055 CA SER B 292 -19.026 -10.640 -8.163 1.00 0.00 C ATOM 2056 C SER B 292 -19.246 -11.395 -9.470 1.00 0.00 C ATOM 2057 O SER B 292 -18.746 -12.535 -9.588 1.00 0.00 O ATOM 2058 CB SER B 292 -20.272 -9.837 -7.775 1.00 0.00 C ATOM 2059 OG SER B 292 -20.378 -8.652 -8.550 1.00 0.00 O ATOM 2060 OXT SER B 292 -19.902 -10.846 -10.379 1.00 0.00 O ATOM 0 H SER B 292 -18.086 -8.863 -8.729 1.00 0.00 H new ATOM 0 HA SER B 292 -18.828 -11.380 -7.388 1.00 0.00 H new ATOM 0 HB2 SER B 292 -21.162 -10.450 -7.918 1.00 0.00 H new ATOM 0 HB3 SER B 292 -20.228 -9.580 -6.717 1.00 0.00 H new ATOM 0 HG SER B 292 -20.263 -8.870 -9.499 1.00 0.00 H new TER 2066 SER B 292