USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN :FLIP amide:sc= -0.254 F(o=-3.2,f=-0.52) USER MOD Set 1.2: A 77 SER OG : rot 53:sc= -0.265 USER MOD Set 2.1: A 61 SER OG : rot -175:sc= 0.315 USER MOD Set 2.2: A 65 GLN :FLIP amide:sc= 1.06 F(o=-0.45,f=1.4) USER MOD Set 3.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.047) USER MOD Set 4.1: A 18 CYS SG : rot -33:sc= -3.09 USER MOD Set 4.2: A 23 MET CE :methyl -106:sc= -17.8! (180deg=-19.9!) USER MOD Set 5.1: A 13 SER OG : rot 163:sc= 0 USER MOD Set 5.2: A 86 TYR OH : rot 15:sc= -1.72! USER MOD Single : A 7 TYR OH : rot -76:sc= 0.856 USER MOD Single : A 11 MET CE :methyl 150:sc= -1.12 (180deg=-2.75!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0955) USER MOD Single : A 22 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.61) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 175:sc= -25.1! (180deg=-26.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -168:sc= 1.16 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.8!) USER MOD Single : A 62 MET CE :methyl 176:sc= -10.9! (180deg=-11!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 79 TYR OH : rot -130:sc= -1.44 USER MOD Single : A 89 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 0.124 0.221 12.135 1.00 0.00 N ATOM 69 CA TYR A 7 0.645 -0.789 11.225 1.00 0.00 C ATOM 70 C TYR A 7 -0.060 -2.125 11.421 1.00 0.00 C ATOM 71 O TYR A 7 -0.637 -2.677 10.486 1.00 0.00 O ATOM 72 CB TYR A 7 2.165 -0.937 11.394 1.00 0.00 C ATOM 73 CG TYR A 7 2.616 -1.850 12.515 1.00 0.00 C ATOM 74 CD1 TYR A 7 2.705 -3.224 12.319 1.00 0.00 C ATOM 75 CD2 TYR A 7 2.960 -1.342 13.761 1.00 0.00 C ATOM 76 CE1 TYR A 7 3.123 -4.064 13.333 1.00 0.00 C ATOM 77 CE2 TYR A 7 3.379 -2.178 14.781 1.00 0.00 C ATOM 78 CZ TYR A 7 3.458 -3.536 14.561 1.00 0.00 C ATOM 79 OH TYR A 7 3.875 -4.370 15.573 1.00 0.00 O ATOM 0 HA TYR A 7 0.446 -0.459 10.205 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.582 -1.309 10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.591 0.052 11.562 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.443 -3.641 11.358 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.900 -0.278 13.937 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.187 -5.129 13.164 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.643 -1.768 15.745 1.00 0.00 H new ATOM 0 HH TYR A 7 3.100 -4.832 15.956 1.00 0.00 H new ATOM 89 N GLU A 8 -0.006 -2.634 12.641 1.00 0.00 N ATOM 90 CA GLU A 8 -0.633 -3.909 12.978 1.00 0.00 C ATOM 91 C GLU A 8 -2.085 -3.963 12.504 1.00 0.00 C ATOM 92 O GLU A 8 -2.625 -5.041 12.260 1.00 0.00 O ATOM 93 CB GLU A 8 -0.565 -4.147 14.489 1.00 0.00 C ATOM 94 CG GLU A 8 0.185 -5.412 14.872 1.00 0.00 C ATOM 95 CD GLU A 8 0.470 -5.493 16.359 1.00 0.00 C ATOM 96 OE1 GLU A 8 -0.472 -5.300 17.155 1.00 0.00 O ATOM 97 OE2 GLU A 8 1.636 -5.750 16.726 1.00 0.00 O ATOM 0 H GLU A 8 0.469 -2.182 13.423 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.083 -4.697 12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.083 -3.291 14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.579 -4.201 14.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.399 -6.282 14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.126 -5.453 14.323 1.00 0.00 H new ATOM 104 N LEU A 9 -2.713 -2.797 12.380 1.00 0.00 N ATOM 105 CA LEU A 9 -4.101 -2.727 11.940 1.00 0.00 C ATOM 106 C LEU A 9 -4.231 -3.110 10.469 1.00 0.00 C ATOM 107 O LEU A 9 -4.704 -4.201 10.139 1.00 0.00 O ATOM 108 CB LEU A 9 -4.664 -1.321 12.166 1.00 0.00 C ATOM 109 CG LEU A 9 -4.553 -0.801 13.599 1.00 0.00 C ATOM 110 CD1 LEU A 9 -5.236 0.551 13.729 1.00 0.00 C ATOM 111 CD2 LEU A 9 -5.152 -1.800 14.577 1.00 0.00 C ATOM 0 H LEU A 9 -2.285 -1.893 12.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.675 -3.439 12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.146 -0.628 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.714 -1.316 11.874 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.497 -0.677 13.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.147 0.906 14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.761 1.265 13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.290 0.453 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.064 -1.413 15.592 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.204 -1.957 14.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.618 -2.747 14.502 1.00 0.00 H new ATOM 123 N PHE A 10 -3.814 -2.211 9.584 1.00 0.00 N ATOM 124 CA PHE A 10 -3.895 -2.469 8.158 1.00 0.00 C ATOM 125 C PHE A 10 -3.081 -3.701 7.785 1.00 0.00 C ATOM 126 O PHE A 10 -3.421 -4.421 6.847 1.00 0.00 O ATOM 127 CB PHE A 10 -3.430 -1.246 7.363 1.00 0.00 C ATOM 128 CG PHE A 10 -1.951 -0.984 7.426 1.00 0.00 C ATOM 129 CD1 PHE A 10 -1.050 -1.847 6.820 1.00 0.00 C ATOM 130 CD2 PHE A 10 -1.462 0.132 8.086 1.00 0.00 C ATOM 131 CE1 PHE A 10 0.307 -1.603 6.874 1.00 0.00 C ATOM 132 CE2 PHE A 10 -0.105 0.381 8.142 1.00 0.00 C ATOM 133 CZ PHE A 10 0.781 -0.487 7.537 1.00 0.00 C ATOM 0 H PHE A 10 -3.419 -1.303 9.831 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.937 -2.664 7.904 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.719 -1.376 6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.958 -0.367 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.415 -2.720 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.150 0.815 8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.998 -2.283 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.263 1.255 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.843 -0.294 7.582 1.00 0.00 H new ATOM 143 N MET A 11 -2.008 -3.947 8.532 1.00 0.00 N ATOM 144 CA MET A 11 -1.157 -5.104 8.280 1.00 0.00 C ATOM 145 C MET A 11 -1.996 -6.373 8.248 1.00 0.00 C ATOM 146 O MET A 11 -1.958 -7.129 7.278 1.00 0.00 O ATOM 147 CB MET A 11 -0.073 -5.225 9.352 1.00 0.00 C ATOM 148 CG MET A 11 1.231 -4.539 8.977 1.00 0.00 C ATOM 149 SD MET A 11 2.648 -5.656 9.023 1.00 0.00 S ATOM 150 CE MET A 11 2.005 -7.059 8.113 1.00 0.00 C ATOM 0 H MET A 11 -1.709 -3.363 9.313 1.00 0.00 H new ATOM 0 HA MET A 11 -0.674 -4.968 7.313 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.445 -4.797 10.283 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.123 -6.280 9.542 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.139 -4.117 7.976 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.408 -3.707 9.659 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.823 -7.566 7.601 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.525 -7.752 8.804 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.276 -6.714 7.380 1.00 0.00 H new ATOM 160 N LYS A 12 -2.765 -6.591 9.312 1.00 0.00 N ATOM 161 CA LYS A 12 -3.629 -7.762 9.404 1.00 0.00 C ATOM 162 C LYS A 12 -4.537 -7.847 8.185 1.00 0.00 C ATOM 163 O LYS A 12 -4.784 -8.930 7.654 1.00 0.00 O ATOM 164 CB LYS A 12 -4.470 -7.706 10.681 1.00 0.00 C ATOM 165 CG LYS A 12 -3.642 -7.666 11.955 1.00 0.00 C ATOM 166 CD LYS A 12 -3.507 -9.047 12.575 1.00 0.00 C ATOM 167 CE LYS A 12 -3.610 -8.990 14.091 1.00 0.00 C ATOM 168 NZ LYS A 12 -4.358 -10.153 14.642 1.00 0.00 N ATOM 0 H LYS A 12 -2.807 -5.972 10.121 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.001 -8.652 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.110 -6.824 10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.127 -8.575 10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.652 -7.267 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.107 -6.988 12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.284 -9.701 12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.549 -9.483 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.609 -8.965 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.107 -8.066 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.406 -10.076 15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.322 -10.163 14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.870 -11.034 14.382 1.00 0.00 H new ATOM 182 N SER A 13 -5.027 -6.692 7.741 1.00 0.00 N ATOM 183 CA SER A 13 -5.902 -6.634 6.577 1.00 0.00 C ATOM 184 C SER A 13 -5.197 -7.190 5.342 1.00 0.00 C ATOM 185 O SER A 13 -5.748 -8.028 4.628 1.00 0.00 O ATOM 186 CB SER A 13 -6.355 -5.195 6.322 1.00 0.00 C ATOM 187 OG SER A 13 -7.624 -4.949 6.904 1.00 0.00 O ATOM 0 H SER A 13 -4.833 -5.787 8.169 1.00 0.00 H new ATOM 0 HA SER A 13 -6.779 -7.248 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.622 -4.501 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.402 -5.010 5.249 1.00 0.00 H new ATOM 0 HG SER A 13 -7.770 -3.982 6.975 1.00 0.00 H new ATOM 193 N LEU A 14 -3.971 -6.728 5.100 1.00 0.00 N ATOM 194 CA LEU A 14 -3.191 -7.189 3.961 1.00 0.00 C ATOM 195 C LEU A 14 -3.016 -8.708 4.009 1.00 0.00 C ATOM 196 O LEU A 14 -3.277 -9.403 3.028 1.00 0.00 O ATOM 197 CB LEU A 14 -1.817 -6.504 3.955 1.00 0.00 C ATOM 198 CG LEU A 14 -0.696 -7.251 3.230 1.00 0.00 C ATOM 199 CD1 LEU A 14 -0.137 -8.367 4.095 1.00 0.00 C ATOM 200 CD2 LEU A 14 -1.183 -7.807 1.907 1.00 0.00 C ATOM 0 H LEU A 14 -3.499 -6.034 5.680 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.725 -6.929 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.926 -5.521 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.510 -6.343 4.988 1.00 0.00 H new ATOM 0 HG LEU A 14 0.103 -6.537 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.658 -8.882 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.263 -7.947 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.931 -9.075 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.367 -8.333 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.007 -8.499 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.526 -6.989 1.273 1.00 0.00 H new ATOM 212 N ILE A 15 -2.545 -9.213 5.153 1.00 0.00 N ATOM 213 CA ILE A 15 -2.308 -10.650 5.312 1.00 0.00 C ATOM 214 C ILE A 15 -3.512 -11.456 4.853 1.00 0.00 C ATOM 215 O ILE A 15 -3.371 -12.458 4.153 1.00 0.00 O ATOM 216 CB ILE A 15 -1.962 -11.058 6.764 1.00 0.00 C ATOM 217 CG1 ILE A 15 -1.344 -9.889 7.541 1.00 0.00 C ATOM 218 CG2 ILE A 15 -1.013 -12.249 6.745 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.691 -10.296 8.846 1.00 0.00 C ATOM 0 H ILE A 15 -2.322 -8.653 5.976 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.443 -10.871 4.687 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.884 -11.338 7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.601 -9.400 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.120 -9.153 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.769 -12.536 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.491 -13.087 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.099 -11.978 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.278 -9.415 9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.434 -10.758 9.496 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.109 -11.009 8.646 1.00 0.00 H new ATOM 231 N GLU A 16 -4.702 -11.005 5.231 1.00 0.00 N ATOM 232 CA GLU A 16 -5.923 -11.676 4.837 1.00 0.00 C ATOM 233 C GLU A 16 -5.948 -11.873 3.324 1.00 0.00 C ATOM 234 O GLU A 16 -6.590 -12.789 2.817 1.00 0.00 O ATOM 235 CB GLU A 16 -7.124 -10.851 5.288 1.00 0.00 C ATOM 236 CG GLU A 16 -8.230 -11.681 5.909 1.00 0.00 C ATOM 237 CD GLU A 16 -9.601 -11.335 5.361 1.00 0.00 C ATOM 238 OE1 GLU A 16 -9.792 -10.180 4.925 1.00 0.00 O ATOM 239 OE2 GLU A 16 -10.484 -12.218 5.369 1.00 0.00 O ATOM 0 H GLU A 16 -4.842 -10.177 5.810 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.967 -12.656 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.792 -10.105 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.525 -10.309 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.029 -12.737 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.227 -11.533 6.989 1.00 0.00 H new ATOM 246 N ASN A 17 -5.233 -11.002 2.614 1.00 0.00 N ATOM 247 CA ASN A 17 -5.155 -11.065 1.162 1.00 0.00 C ATOM 248 C ASN A 17 -4.138 -12.100 0.710 1.00 0.00 C ATOM 249 O ASN A 17 -4.441 -12.963 -0.110 1.00 0.00 O ATOM 250 CB ASN A 17 -4.792 -9.699 0.606 1.00 0.00 C ATOM 251 CG ASN A 17 -5.002 -9.605 -0.893 1.00 0.00 C ATOM 252 OD1 ASN A 17 -4.056 -9.727 -1.672 1.00 0.00 O ATOM 253 ND2 ASN A 17 -6.245 -9.386 -1.304 1.00 0.00 N ATOM 0 H ASN A 17 -4.697 -10.240 3.028 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.131 -11.364 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.394 -8.937 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.749 -9.482 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.447 -9.312 -2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.998 -9.291 -0.623 1.00 0.00 H new ATOM 260 N CYS A 18 -2.930 -12.021 1.253 1.00 0.00 N ATOM 261 CA CYS A 18 -1.890 -12.974 0.897 1.00 0.00 C ATOM 262 C CYS A 18 -2.373 -14.389 1.171 1.00 0.00 C ATOM 263 O CYS A 18 -2.177 -15.290 0.360 1.00 0.00 O ATOM 264 CB CYS A 18 -0.595 -12.680 1.667 1.00 0.00 C ATOM 265 SG CYS A 18 -0.647 -13.091 3.428 1.00 0.00 S ATOM 0 H CYS A 18 -2.649 -11.315 1.934 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.673 -12.877 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.220 -13.235 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.360 -11.621 1.563 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.847 -12.890 3.885 1.00 0.00 H new ATOM 271 N LYS A 19 -3.013 -14.571 2.321 1.00 0.00 N ATOM 272 CA LYS A 19 -3.530 -15.874 2.714 1.00 0.00 C ATOM 273 C LYS A 19 -4.793 -16.234 1.939 1.00 0.00 C ATOM 274 O LYS A 19 -5.158 -17.406 1.857 1.00 0.00 O ATOM 275 CB LYS A 19 -3.813 -15.898 4.218 1.00 0.00 C ATOM 276 CG LYS A 19 -2.954 -16.893 4.982 1.00 0.00 C ATOM 277 CD LYS A 19 -2.487 -16.324 6.313 1.00 0.00 C ATOM 278 CE LYS A 19 -1.042 -15.853 6.244 1.00 0.00 C ATOM 279 NZ LYS A 19 -0.150 -16.671 7.112 1.00 0.00 N ATOM 0 H LYS A 19 -3.186 -13.829 2.999 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.769 -16.618 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.649 -14.901 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.864 -16.140 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.522 -17.807 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.088 -17.166 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.129 -15.491 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.586 -17.083 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.692 -15.904 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.986 -14.808 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.826 -16.319 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.468 -16.602 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.184 -17.664 6.806 1.00 0.00 H new ATOM 293 N LYS A 20 -5.465 -15.233 1.373 1.00 0.00 N ATOM 294 CA LYS A 20 -6.684 -15.498 0.620 1.00 0.00 C ATOM 295 C LYS A 20 -6.403 -15.620 -0.870 1.00 0.00 C ATOM 296 O LYS A 20 -7.139 -16.289 -1.595 1.00 0.00 O ATOM 297 CB LYS A 20 -7.754 -14.427 0.888 1.00 0.00 C ATOM 298 CG LYS A 20 -7.503 -13.093 0.188 1.00 0.00 C ATOM 299 CD LYS A 20 -8.549 -12.820 -0.881 1.00 0.00 C ATOM 300 CE LYS A 20 -7.930 -12.205 -2.127 1.00 0.00 C ATOM 301 NZ LYS A 20 -8.009 -13.123 -3.297 1.00 0.00 N ATOM 0 H LYS A 20 -5.192 -14.251 1.421 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.074 -16.455 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.723 -14.812 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.815 -14.253 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.513 -12.288 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.511 -13.099 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.051 -13.751 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.310 -12.149 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.440 -11.271 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.887 -11.957 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.432 -12.744 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.652 -14.062 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.998 -13.205 -3.607 1.00 0.00 H new ATOM 315 N ARG A 21 -5.322 -15.003 -1.318 1.00 0.00 N ATOM 316 CA ARG A 21 -4.937 -15.083 -2.717 1.00 0.00 C ATOM 317 C ARG A 21 -4.039 -16.299 -2.939 1.00 0.00 C ATOM 318 O ARG A 21 -3.415 -16.443 -3.989 1.00 0.00 O ATOM 319 CB ARG A 21 -4.219 -13.803 -3.146 1.00 0.00 C ATOM 320 CG ARG A 21 -4.250 -13.564 -4.646 1.00 0.00 C ATOM 321 CD ARG A 21 -3.015 -14.133 -5.323 1.00 0.00 C ATOM 322 NE ARG A 21 -3.355 -15.088 -6.376 1.00 0.00 N ATOM 323 CZ ARG A 21 -3.712 -14.737 -7.610 1.00 0.00 C ATOM 324 NH1 ARG A 21 -3.784 -13.456 -7.949 1.00 0.00 N ATOM 325 NH2 ARG A 21 -4.000 -15.670 -8.506 1.00 0.00 N ATOM 0 H ARG A 21 -4.698 -14.444 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.835 -15.192 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.677 -12.952 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.182 -13.849 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.143 -14.022 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.315 -12.494 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.428 -13.319 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.388 -14.623 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.317 -16.082 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.565 -12.734 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.058 -13.194 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.948 -16.656 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.274 -15.402 -9.451 1.00 0.00 H new ATOM 339 N ASN A 22 -3.982 -17.173 -1.931 1.00 0.00 N ATOM 340 CA ASN A 22 -3.170 -18.376 -1.986 1.00 0.00 C ATOM 341 C ASN A 22 -1.697 -18.031 -1.928 1.00 0.00 C ATOM 342 O ASN A 22 -0.911 -18.404 -2.799 1.00 0.00 O ATOM 343 CB ASN A 22 -3.497 -19.192 -3.231 1.00 0.00 C ATOM 344 CG ASN A 22 -2.620 -20.422 -3.378 1.00 0.00 C ATOM 345 OD1 ASN A 22 -2.121 -20.716 -4.464 1.00 0.00 O ATOM 346 ND2 ASN A 22 -2.428 -21.147 -2.282 1.00 0.00 N ATOM 0 H ASN A 22 -4.499 -17.061 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.404 -18.988 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.542 -19.499 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.381 -18.562 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.847 -21.985 -2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.861 -20.866 -1.402 1.00 0.00 H new ATOM 353 N MET A 23 -1.335 -17.326 -0.869 1.00 0.00 N ATOM 354 CA MET A 23 0.046 -16.925 -0.642 1.00 0.00 C ATOM 355 C MET A 23 0.722 -16.398 -1.909 1.00 0.00 C ATOM 356 O MET A 23 1.616 -17.042 -2.460 1.00 0.00 O ATOM 357 CB MET A 23 0.837 -18.109 -0.106 1.00 0.00 C ATOM 358 CG MET A 23 0.568 -18.443 1.352 1.00 0.00 C ATOM 359 SD MET A 23 1.042 -17.114 2.470 1.00 0.00 S ATOM 360 CE MET A 23 -0.356 -16.025 2.258 1.00 0.00 C ATOM 0 H MET A 23 -1.984 -17.017 -0.146 1.00 0.00 H new ATOM 0 HA MET A 23 0.031 -16.111 0.083 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.610 -18.985 -0.713 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.901 -17.903 -0.228 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.492 -18.659 1.481 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.113 -19.348 1.619 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.059 -15.164 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.160 -16.560 1.753 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.704 -15.685 3.234 1.00 0.00 H new ATOM 370 N PRO A 24 0.321 -15.206 -2.375 1.00 0.00 N ATOM 371 CA PRO A 24 0.912 -14.582 -3.564 1.00 0.00 C ATOM 372 C PRO A 24 2.323 -14.063 -3.313 1.00 0.00 C ATOM 373 O PRO A 24 2.881 -13.321 -4.122 1.00 0.00 O ATOM 374 CB PRO A 24 -0.029 -13.417 -3.858 1.00 0.00 C ATOM 375 CG PRO A 24 -0.631 -13.076 -2.536 1.00 0.00 C ATOM 376 CD PRO A 24 -0.725 -14.371 -1.771 1.00 0.00 C ATOM 0 HA PRO A 24 1.010 -15.293 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.510 -12.568 -4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.794 -13.698 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.015 -12.352 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.616 -12.625 -2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.552 -14.220 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.710 -14.826 -1.873 1.00 0.00 H new ATOM 384 N LEU A 25 2.885 -14.460 -2.186 1.00 0.00 N ATOM 385 CA LEU A 25 4.227 -14.052 -1.797 1.00 0.00 C ATOM 386 C LEU A 25 5.121 -15.273 -1.653 1.00 0.00 C ATOM 387 O LEU A 25 6.123 -15.416 -2.353 1.00 0.00 O ATOM 388 CB LEU A 25 4.179 -13.279 -0.473 1.00 0.00 C ATOM 389 CG LEU A 25 3.701 -11.827 -0.574 1.00 0.00 C ATOM 390 CD1 LEU A 25 2.539 -11.709 -1.550 1.00 0.00 C ATOM 391 CD2 LEU A 25 3.298 -11.294 0.797 1.00 0.00 C ATOM 0 H LEU A 25 2.426 -15.074 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 25 4.636 -13.403 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.523 -13.812 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.176 -13.285 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 25 4.529 -11.225 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.215 -10.670 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.858 -12.044 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.711 -12.329 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.962 -10.261 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.489 -11.903 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.154 -11.336 1.470 1.00 0.00 H new ATOM 403 N GLN A 26 4.742 -16.150 -0.732 1.00 0.00 N ATOM 404 CA GLN A 26 5.486 -17.375 -0.467 1.00 0.00 C ATOM 405 C GLN A 26 6.791 -17.074 0.260 1.00 0.00 C ATOM 406 O GLN A 26 7.628 -17.959 0.438 1.00 0.00 O ATOM 407 CB GLN A 26 5.768 -18.132 -1.770 1.00 0.00 C ATOM 408 CG GLN A 26 5.029 -19.456 -1.874 1.00 0.00 C ATOM 409 CD GLN A 26 5.344 -20.200 -3.157 1.00 0.00 C ATOM 410 OE1 GLN A 26 6.176 -21.107 -3.174 1.00 0.00 O ATOM 411 NE2 GLN A 26 4.679 -19.818 -4.242 1.00 0.00 N ATOM 0 H GLN A 26 3.913 -16.033 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 26 4.872 -18.006 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.489 -17.502 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.839 -18.316 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.291 -20.082 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.956 -19.274 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.998 -19.061 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.850 -20.282 -5.134 1.00 0.00 H new ATOM 420 N SER A 27 6.964 -15.823 0.683 1.00 0.00 N ATOM 421 CA SER A 27 8.182 -15.430 1.393 1.00 0.00 C ATOM 422 C SER A 27 8.186 -13.952 1.766 1.00 0.00 C ATOM 423 O SER A 27 9.235 -13.395 2.084 1.00 0.00 O ATOM 424 CB SER A 27 9.405 -15.732 0.535 1.00 0.00 C ATOM 425 OG SER A 27 10.464 -16.259 1.316 1.00 0.00 O ATOM 0 H SER A 27 6.287 -15.072 0.549 1.00 0.00 H new ATOM 0 HA SER A 27 8.213 -16.008 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.137 -16.444 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.736 -14.821 0.036 1.00 0.00 H new ATOM 0 HG SER A 27 11.235 -16.445 0.740 1.00 0.00 H new ATOM 431 N ILE A 28 7.014 -13.334 1.732 1.00 0.00 N ATOM 432 CA ILE A 28 6.852 -11.925 2.067 1.00 0.00 C ATOM 433 C ILE A 28 8.073 -11.083 1.699 1.00 0.00 C ATOM 434 O ILE A 28 9.069 -11.066 2.421 1.00 0.00 O ATOM 435 CB ILE A 28 6.500 -11.758 3.565 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.986 -11.710 3.689 1.00 0.00 C ATOM 437 CG2 ILE A 28 7.131 -10.502 4.165 1.00 0.00 C ATOM 438 CD1 ILE A 28 4.476 -11.392 5.078 1.00 0.00 C ATOM 0 H ILE A 28 6.144 -13.798 1.470 1.00 0.00 H new ATOM 0 HA ILE A 28 6.024 -11.552 1.464 1.00 0.00 H new ATOM 0 HB ILE A 28 6.903 -12.602 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.602 -10.962 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.579 -12.672 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.858 -10.425 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.216 -10.561 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.770 -9.623 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.386 -11.379 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.825 -12.152 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.849 -10.416 5.388 1.00 0.00 H new ATOM 450 N PRO A 29 8.001 -10.349 0.574 1.00 0.00 N ATOM 451 CA PRO A 29 9.098 -9.488 0.143 1.00 0.00 C ATOM 452 C PRO A 29 9.418 -8.463 1.218 1.00 0.00 C ATOM 453 O PRO A 29 8.894 -7.350 1.207 1.00 0.00 O ATOM 454 CB PRO A 29 8.557 -8.802 -1.118 1.00 0.00 C ATOM 455 CG PRO A 29 7.439 -9.672 -1.582 1.00 0.00 C ATOM 456 CD PRO A 29 6.850 -10.280 -0.342 1.00 0.00 C ATOM 0 HA PRO A 29 10.021 -10.037 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.207 -7.793 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.330 -8.713 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.693 -9.093 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.801 -10.444 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.047 -9.666 0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.430 -11.267 -0.537 1.00 0.00 H new ATOM 464 N GLU A 30 10.264 -8.855 2.163 1.00 0.00 N ATOM 465 CA GLU A 30 10.632 -7.976 3.263 1.00 0.00 C ATOM 466 C GLU A 30 11.524 -6.828 2.797 1.00 0.00 C ATOM 467 O GLU A 30 11.933 -5.982 3.593 1.00 0.00 O ATOM 468 CB GLU A 30 11.337 -8.773 4.362 1.00 0.00 C ATOM 469 CG GLU A 30 10.410 -9.693 5.138 1.00 0.00 C ATOM 470 CD GLU A 30 11.053 -10.245 6.396 1.00 0.00 C ATOM 471 OE1 GLU A 30 12.282 -10.086 6.555 1.00 0.00 O ATOM 472 OE2 GLU A 30 10.327 -10.838 7.222 1.00 0.00 O ATOM 0 H GLU A 30 10.706 -9.774 2.189 1.00 0.00 H new ATOM 0 HA GLU A 30 9.714 -7.544 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.133 -9.367 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.810 -8.078 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.505 -9.148 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.106 -10.520 4.497 1.00 0.00 H new ATOM 479 N ILE A 31 11.816 -6.813 1.505 1.00 0.00 N ATOM 480 CA ILE A 31 12.662 -5.783 0.895 1.00 0.00 C ATOM 481 C ILE A 31 13.868 -5.459 1.781 1.00 0.00 C ATOM 482 O ILE A 31 14.200 -6.221 2.689 1.00 0.00 O ATOM 483 CB ILE A 31 11.870 -4.485 0.597 1.00 0.00 C ATOM 484 CG1 ILE A 31 10.363 -4.762 0.552 1.00 0.00 C ATOM 485 CG2 ILE A 31 12.336 -3.871 -0.719 1.00 0.00 C ATOM 486 CD1 ILE A 31 9.942 -5.644 -0.604 1.00 0.00 C ATOM 0 H ILE A 31 11.476 -7.512 0.845 1.00 0.00 H new ATOM 0 HA ILE A 31 13.016 -6.192 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 31 12.062 -3.776 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.061 -5.234 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.830 -3.814 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.771 -2.960 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.398 -3.633 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.173 -4.581 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.863 -5.797 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.212 -5.164 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.447 -6.607 -0.530 1.00 0.00 H new ATOM 498 N GLY A 32 14.524 -4.333 1.513 1.00 0.00 N ATOM 499 CA GLY A 32 15.683 -3.947 2.297 1.00 0.00 C ATOM 500 C GLY A 32 15.309 -3.193 3.555 1.00 0.00 C ATOM 501 O GLY A 32 15.760 -2.068 3.773 1.00 0.00 O ATOM 0 H GLY A 32 14.274 -3.683 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.248 -4.839 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.339 -3.326 1.687 1.00 0.00 H new ATOM 505 N ASN A 33 14.482 -3.815 4.384 1.00 0.00 N ATOM 506 CA ASN A 33 14.042 -3.201 5.632 1.00 0.00 C ATOM 507 C ASN A 33 13.266 -4.195 6.493 1.00 0.00 C ATOM 508 O ASN A 33 12.433 -3.802 7.308 1.00 0.00 O ATOM 509 CB ASN A 33 13.176 -1.973 5.339 1.00 0.00 C ATOM 510 CG ASN A 33 13.680 -0.728 6.042 1.00 0.00 C ATOM 511 OD1 ASN A 33 14.418 -0.811 7.024 1.00 0.00 O ATOM 512 ND2 ASN A 33 13.283 0.436 5.541 1.00 0.00 N ATOM 0 H ASN A 33 14.101 -4.746 4.216 1.00 0.00 H new ATOM 0 HA ASN A 33 14.928 -2.891 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 33 13.154 -1.796 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.151 -2.173 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.590 1.308 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.671 0.458 4.725 1.00 0.00 H new ATOM 519 N ARG A 34 13.548 -5.484 6.307 1.00 0.00 N ATOM 520 CA ARG A 34 12.884 -6.544 7.063 1.00 0.00 C ATOM 521 C ARG A 34 11.374 -6.311 7.159 1.00 0.00 C ATOM 522 O ARG A 34 10.619 -6.738 6.287 1.00 0.00 O ATOM 523 CB ARG A 34 13.501 -6.664 8.457 1.00 0.00 C ATOM 524 CG ARG A 34 14.645 -7.659 8.519 1.00 0.00 C ATOM 525 CD ARG A 34 14.156 -9.081 8.291 1.00 0.00 C ATOM 526 NE ARG A 34 14.746 -10.022 9.241 1.00 0.00 N ATOM 527 CZ ARG A 34 14.439 -10.058 10.536 1.00 0.00 C ATOM 528 NH1 ARG A 34 13.551 -9.209 11.039 1.00 0.00 N ATOM 529 NH2 ARG A 34 15.022 -10.945 11.331 1.00 0.00 N ATOM 0 H ARG A 34 14.237 -5.820 5.634 1.00 0.00 H new ATOM 0 HA ARG A 34 13.035 -7.481 6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.861 -5.685 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.728 -6.964 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.392 -7.404 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.135 -7.592 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.070 -9.109 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.401 -9.390 7.275 1.00 0.00 H new ATOM 0 HE ARG A 34 15.433 -10.690 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.100 -8.524 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.320 -9.242 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.705 -11.599 10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.787 -10.973 12.323 1.00 0.00 H new ATOM 543 N LYS A 35 10.933 -5.634 8.218 1.00 0.00 N ATOM 544 CA LYS A 35 9.513 -5.361 8.401 1.00 0.00 C ATOM 545 C LYS A 35 8.947 -4.635 7.188 1.00 0.00 C ATOM 546 O LYS A 35 9.269 -3.474 6.935 1.00 0.00 O ATOM 547 CB LYS A 35 9.283 -4.537 9.670 1.00 0.00 C ATOM 548 CG LYS A 35 8.198 -5.101 10.572 1.00 0.00 C ATOM 549 CD LYS A 35 8.762 -6.112 11.557 1.00 0.00 C ATOM 550 CE LYS A 35 8.534 -7.539 11.084 1.00 0.00 C ATOM 551 NZ LYS A 35 8.842 -8.533 12.148 1.00 0.00 N ATOM 0 H LYS A 35 11.535 -5.268 8.956 1.00 0.00 H new ATOM 0 HA LYS A 35 8.993 -6.313 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.216 -4.480 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.017 -3.518 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.718 -4.288 11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.428 -5.575 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.830 -5.937 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.294 -5.972 12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.497 -7.655 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.157 -7.736 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.674 -9.493 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.838 -8.440 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.230 -8.362 12.971 1.00 0.00 H new ATOM 565 N ILE A 36 8.113 -5.338 6.434 1.00 0.00 N ATOM 566 CA ILE A 36 7.509 -4.787 5.237 1.00 0.00 C ATOM 567 C ILE A 36 6.724 -3.510 5.519 1.00 0.00 C ATOM 568 O ILE A 36 5.973 -3.425 6.491 1.00 0.00 O ATOM 569 CB ILE A 36 6.574 -5.814 4.569 1.00 0.00 C ATOM 570 CG1 ILE A 36 5.533 -6.345 5.564 1.00 0.00 C ATOM 571 CG2 ILE A 36 7.383 -6.961 3.987 1.00 0.00 C ATOM 572 CD1 ILE A 36 4.362 -5.413 5.782 1.00 0.00 C ATOM 0 H ILE A 36 7.840 -6.300 6.636 1.00 0.00 H new ATOM 0 HA ILE A 36 8.331 -4.543 4.564 1.00 0.00 H new ATOM 0 HB ILE A 36 6.041 -5.312 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.159 -7.304 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.021 -6.530 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.711 -7.679 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.078 -6.575 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.942 -7.453 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.671 -5.858 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.722 -4.461 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.848 -5.247 4.835 1.00 0.00 H new ATOM 584 N ASN A 37 6.887 -2.530 4.637 1.00 0.00 N ATOM 585 CA ASN A 37 6.177 -1.263 4.749 1.00 0.00 C ATOM 586 C ASN A 37 5.072 -1.222 3.700 1.00 0.00 C ATOM 587 O ASN A 37 4.739 -0.166 3.163 1.00 0.00 O ATOM 588 CB ASN A 37 7.136 -0.087 4.555 1.00 0.00 C ATOM 589 CG ASN A 37 7.793 0.344 5.851 1.00 0.00 C ATOM 590 OD1 ASN A 37 7.228 0.177 6.932 1.00 0.00 O ATOM 591 ND2 ASN A 37 8.993 0.904 5.749 1.00 0.00 N ATOM 0 H ASN A 37 7.510 -2.591 3.831 1.00 0.00 H new ATOM 0 HA ASN A 37 5.742 -1.180 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.906 -0.365 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.591 0.756 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.483 1.215 6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.424 1.023 4.832 1.00 0.00 H new ATOM 598 N LEU A 38 4.536 -2.410 3.410 1.00 0.00 N ATOM 599 CA LEU A 38 3.482 -2.612 2.417 1.00 0.00 C ATOM 600 C LEU A 38 2.593 -1.390 2.208 1.00 0.00 C ATOM 601 O LEU A 38 2.195 -1.102 1.080 1.00 0.00 O ATOM 602 CB LEU A 38 2.617 -3.810 2.824 1.00 0.00 C ATOM 603 CG LEU A 38 2.810 -5.070 1.979 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.775 -4.731 0.498 1.00 0.00 C ATOM 605 CD2 LEU A 38 4.119 -5.756 2.337 1.00 0.00 C ATOM 0 H LEU A 38 4.829 -3.273 3.868 1.00 0.00 H new ATOM 0 HA LEU A 38 3.983 -2.797 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.829 -4.054 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.569 -3.515 2.773 1.00 0.00 H new ATOM 0 HG LEU A 38 1.991 -5.756 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.914 -5.640 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.813 -4.284 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.573 -4.026 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.240 -6.651 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.949 -5.075 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.107 -6.035 3.391 1.00 0.00 H new ATOM 617 N PHE A 39 2.258 -0.691 3.283 1.00 0.00 N ATOM 618 CA PHE A 39 1.388 0.472 3.173 1.00 0.00 C ATOM 619 C PHE A 39 2.155 1.743 2.805 1.00 0.00 C ATOM 620 O PHE A 39 1.849 2.371 1.798 1.00 0.00 O ATOM 621 CB PHE A 39 0.597 0.673 4.463 1.00 0.00 C ATOM 622 CG PHE A 39 -0.857 0.305 4.330 1.00 0.00 C ATOM 623 CD1 PHE A 39 -1.241 -0.849 3.656 1.00 0.00 C ATOM 624 CD2 PHE A 39 -1.840 1.117 4.870 1.00 0.00 C ATOM 625 CE1 PHE A 39 -2.580 -1.182 3.526 1.00 0.00 C ATOM 626 CE2 PHE A 39 -3.176 0.789 4.745 1.00 0.00 C ATOM 627 CZ PHE A 39 -3.546 -0.360 4.073 1.00 0.00 C ATOM 0 H PHE A 39 2.570 -0.905 4.230 1.00 0.00 H new ATOM 0 HA PHE A 39 0.692 0.275 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.046 0.073 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.675 1.716 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.487 -1.493 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.559 2.018 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.867 -2.080 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.932 1.431 5.173 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.591 -0.616 3.975 1.00 0.00 H new ATOM 637 N TYR A 40 3.141 2.120 3.624 1.00 0.00 N ATOM 638 CA TYR A 40 3.946 3.331 3.383 1.00 0.00 C ATOM 639 C TYR A 40 4.157 3.593 1.888 1.00 0.00 C ATOM 640 O TYR A 40 3.777 4.636 1.349 1.00 0.00 O ATOM 641 CB TYR A 40 5.302 3.204 4.079 1.00 0.00 C ATOM 642 CG TYR A 40 5.762 4.480 4.748 1.00 0.00 C ATOM 643 CD1 TYR A 40 6.198 5.563 3.995 1.00 0.00 C ATOM 644 CD2 TYR A 40 5.760 4.600 6.131 1.00 0.00 C ATOM 645 CE1 TYR A 40 6.619 6.730 4.603 1.00 0.00 C ATOM 646 CE2 TYR A 40 6.179 5.765 6.747 1.00 0.00 C ATOM 647 CZ TYR A 40 6.608 6.826 5.978 1.00 0.00 C ATOM 648 OH TYR A 40 7.026 7.987 6.587 1.00 0.00 O ATOM 0 H TYR A 40 3.405 1.605 4.464 1.00 0.00 H new ATOM 0 HA TYR A 40 3.395 4.177 3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.245 2.412 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.049 2.898 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.208 5.492 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.426 3.770 6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.955 7.563 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.170 5.843 7.824 1.00 0.00 H new ATOM 0 HH TYR A 40 6.955 7.890 7.560 1.00 0.00 H new ATOM 658 N LEU A 41 4.755 2.644 1.208 1.00 0.00 N ATOM 659 CA LEU A 41 4.983 2.793 -0.213 1.00 0.00 C ATOM 660 C LEU A 41 3.651 2.797 -0.946 1.00 0.00 C ATOM 661 O LEU A 41 3.459 3.517 -1.926 1.00 0.00 O ATOM 662 CB LEU A 41 5.840 1.647 -0.726 1.00 0.00 C ATOM 663 CG LEU A 41 5.095 0.320 -0.871 1.00 0.00 C ATOM 664 CD1 LEU A 41 5.822 -0.580 -1.855 1.00 0.00 C ATOM 665 CD2 LEU A 41 4.972 -0.360 0.482 1.00 0.00 C ATOM 0 H LEU A 41 5.090 1.768 1.609 1.00 0.00 H new ATOM 0 HA LEU A 41 5.501 3.735 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.255 1.925 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.681 1.506 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 41 4.093 0.515 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.284 -1.523 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.873 -0.090 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.832 -0.774 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.440 -1.304 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.967 -0.551 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.421 0.286 1.165 1.00 0.00 H new ATOM 677 N TYR A 42 2.738 1.957 -0.469 1.00 0.00 N ATOM 678 CA TYR A 42 1.434 1.831 -1.085 1.00 0.00 C ATOM 679 C TYR A 42 0.710 3.175 -1.164 1.00 0.00 C ATOM 680 O TYR A 42 0.664 3.773 -2.219 1.00 0.00 O ATOM 681 CB TYR A 42 0.566 0.791 -0.362 1.00 0.00 C ATOM 682 CG TYR A 42 -0.863 1.254 -0.179 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.564 1.788 -1.250 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.481 1.229 1.061 1.00 0.00 C ATOM 685 CE1 TYR A 42 -2.835 2.281 -1.097 1.00 0.00 C ATOM 686 CE2 TYR A 42 -2.764 1.712 1.223 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.438 2.241 0.141 1.00 0.00 C ATOM 688 OH TYR A 42 -4.711 2.735 0.301 1.00 0.00 O ATOM 0 H TYR A 42 2.883 1.356 0.342 1.00 0.00 H new ATOM 0 HA TYR A 42 1.601 1.482 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.573 -0.140 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.002 0.574 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.100 1.816 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.952 0.826 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.360 2.699 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.238 1.676 2.193 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.988 2.629 1.235 1.00 0.00 H new ATOM 698 N MET A 43 0.108 3.650 -0.072 1.00 0.00 N ATOM 699 CA MET A 43 -0.634 4.920 -0.152 1.00 0.00 C ATOM 700 C MET A 43 0.188 5.972 -0.897 1.00 0.00 C ATOM 701 O MET A 43 -0.373 6.871 -1.518 1.00 0.00 O ATOM 702 CB MET A 43 -1.136 5.456 1.206 1.00 0.00 C ATOM 703 CG MET A 43 -1.064 4.466 2.355 1.00 0.00 C ATOM 704 SD MET A 43 0.528 4.511 3.184 1.00 0.00 S ATOM 705 CE MET A 43 1.558 5.075 1.835 1.00 0.00 C ATOM 0 H MET A 43 0.114 3.201 0.844 1.00 0.00 H new ATOM 0 HA MET A 43 -1.540 4.701 -0.717 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.552 6.338 1.469 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.170 5.781 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.853 4.687 3.074 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.248 3.460 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.572 5.245 2.198 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.575 4.319 1.050 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.155 6.005 1.434 1.00 0.00 H new ATOM 715 N LEU A 44 1.518 5.825 -0.896 1.00 0.00 N ATOM 716 CA LEU A 44 2.357 6.741 -1.648 1.00 0.00 C ATOM 717 C LEU A 44 2.136 6.489 -3.139 1.00 0.00 C ATOM 718 O LEU A 44 2.376 7.359 -3.976 1.00 0.00 O ATOM 719 CB LEU A 44 3.829 6.544 -1.291 1.00 0.00 C ATOM 720 CG LEU A 44 4.792 7.537 -1.943 1.00 0.00 C ATOM 721 CD1 LEU A 44 4.321 8.967 -1.722 1.00 0.00 C ATOM 722 CD2 LEU A 44 6.197 7.348 -1.398 1.00 0.00 C ATOM 0 H LEU A 44 2.020 5.094 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 44 2.089 7.768 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.937 6.614 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.124 5.534 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 44 4.808 7.346 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.020 9.657 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.332 9.096 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.273 9.173 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.870 8.062 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.194 7.512 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.536 6.334 -1.610 1.00 0.00 H new ATOM 734 N VAL A 45 1.645 5.283 -3.451 1.00 0.00 N ATOM 735 CA VAL A 45 1.349 4.889 -4.820 1.00 0.00 C ATOM 736 C VAL A 45 0.044 5.503 -5.276 1.00 0.00 C ATOM 737 O VAL A 45 -0.147 5.790 -6.458 1.00 0.00 O ATOM 738 CB VAL A 45 1.245 3.357 -4.991 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.140 2.735 -4.158 1.00 0.00 C ATOM 740 CG2 VAL A 45 1.012 3.034 -6.436 1.00 0.00 C ATOM 0 H VAL A 45 1.445 4.561 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 45 2.181 5.249 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 45 2.187 2.935 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.121 1.658 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.323 2.936 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.819 3.164 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.938 1.954 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.085 3.502 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.843 3.412 -7.032 1.00 0.00 H new ATOM 750 N GLN A 46 -0.851 5.694 -4.318 1.00 0.00 N ATOM 751 CA GLN A 46 -2.169 6.280 -4.585 1.00 0.00 C ATOM 752 C GLN A 46 -2.054 7.409 -5.601 1.00 0.00 C ATOM 753 O GLN A 46 -2.971 7.642 -6.389 1.00 0.00 O ATOM 754 CB GLN A 46 -2.812 6.803 -3.300 1.00 0.00 C ATOM 755 CG GLN A 46 -3.603 5.750 -2.542 1.00 0.00 C ATOM 756 CD GLN A 46 -4.788 6.333 -1.799 1.00 0.00 C ATOM 757 OE1 GLN A 46 -4.942 6.130 -0.595 1.00 0.00 O ATOM 758 NE2 GLN A 46 -5.634 7.064 -2.516 1.00 0.00 N ATOM 0 H GLN A 46 -0.693 5.452 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.805 5.494 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.033 7.198 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.473 7.634 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.955 4.992 -3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.945 5.248 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.467 7.206 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.450 7.483 -2.070 1.00 0.00 H new ATOM 767 N LYS A 47 -0.900 8.083 -5.597 1.00 0.00 N ATOM 768 CA LYS A 47 -0.627 9.160 -6.541 1.00 0.00 C ATOM 769 C LYS A 47 -1.169 8.774 -7.914 1.00 0.00 C ATOM 770 O LYS A 47 -1.701 9.605 -8.649 1.00 0.00 O ATOM 771 CB LYS A 47 0.890 9.415 -6.589 1.00 0.00 C ATOM 772 CG LYS A 47 1.449 9.800 -7.956 1.00 0.00 C ATOM 773 CD LYS A 47 0.684 10.969 -8.568 1.00 0.00 C ATOM 774 CE LYS A 47 0.392 10.758 -10.045 1.00 0.00 C ATOM 775 NZ LYS A 47 -0.399 11.882 -10.618 1.00 0.00 N ATOM 0 H LYS A 47 -0.138 7.897 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.120 10.079 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.130 10.209 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.403 8.516 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.502 10.065 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.398 8.941 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.254 11.107 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.262 11.885 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.330 10.659 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.154 9.824 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.578 11.702 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.305 11.961 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.133 12.769 -10.514 1.00 0.00 H new ATOM 789 N PHE A 48 -1.052 7.489 -8.225 1.00 0.00 N ATOM 790 CA PHE A 48 -1.546 6.957 -9.479 1.00 0.00 C ATOM 791 C PHE A 48 -2.918 6.326 -9.278 1.00 0.00 C ATOM 792 O PHE A 48 -3.811 6.472 -10.114 1.00 0.00 O ATOM 793 CB PHE A 48 -0.562 5.942 -10.051 1.00 0.00 C ATOM 794 CG PHE A 48 0.089 6.418 -11.318 1.00 0.00 C ATOM 795 CD1 PHE A 48 0.692 7.661 -11.363 1.00 0.00 C ATOM 796 CD2 PHE A 48 0.092 5.635 -12.459 1.00 0.00 C ATOM 797 CE1 PHE A 48 1.288 8.120 -12.521 1.00 0.00 C ATOM 798 CE2 PHE A 48 0.688 6.087 -13.623 1.00 0.00 C ATOM 799 CZ PHE A 48 1.286 7.330 -13.653 1.00 0.00 C ATOM 0 H PHE A 48 -0.615 6.795 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.644 7.775 -10.193 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.208 5.730 -9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.084 5.005 -10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.697 8.282 -10.480 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.375 4.662 -12.441 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.754 9.094 -12.541 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.685 5.467 -14.507 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.752 7.684 -14.561 1.00 0.00 H new ATOM 809 N GLY A 49 -3.079 5.626 -8.158 1.00 0.00 N ATOM 810 CA GLY A 49 -4.344 4.985 -7.857 1.00 0.00 C ATOM 811 C GLY A 49 -4.492 3.643 -8.540 1.00 0.00 C ATOM 812 O GLY A 49 -5.373 2.855 -8.194 1.00 0.00 O ATOM 0 H GLY A 49 -2.354 5.492 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.432 4.852 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.161 5.638 -8.165 1.00 0.00 H new ATOM 816 N GLY A 50 -3.624 3.378 -9.507 1.00 0.00 N ATOM 817 CA GLY A 50 -3.666 2.125 -10.219 1.00 0.00 C ATOM 818 C GLY A 50 -2.291 1.517 -10.340 1.00 0.00 C ATOM 819 O GLY A 50 -1.506 1.913 -11.200 1.00 0.00 O ATOM 0 H GLY A 50 -2.888 4.016 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.328 1.432 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.085 2.283 -11.213 1.00 0.00 H new ATOM 823 N ALA A 51 -1.991 0.568 -9.461 1.00 0.00 N ATOM 824 CA ALA A 51 -0.692 -0.091 -9.449 1.00 0.00 C ATOM 825 C ALA A 51 -0.175 -0.362 -10.858 1.00 0.00 C ATOM 826 O ALA A 51 0.861 0.165 -11.262 1.00 0.00 O ATOM 827 CB ALA A 51 -0.769 -1.381 -8.660 1.00 0.00 C ATOM 0 H ALA A 51 -2.635 0.236 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 51 0.015 0.585 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.208 -1.865 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.068 -1.163 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.502 -2.045 -9.119 1.00 0.00 H new ATOM 833 N ASP A 52 -0.908 -1.183 -11.599 1.00 0.00 N ATOM 834 CA ASP A 52 -0.533 -1.533 -12.965 1.00 0.00 C ATOM 835 C ASP A 52 -0.273 -0.294 -13.824 1.00 0.00 C ATOM 836 O ASP A 52 0.378 -0.383 -14.864 1.00 0.00 O ATOM 837 CB ASP A 52 -1.630 -2.384 -13.607 1.00 0.00 C ATOM 838 CG ASP A 52 -1.068 -3.524 -14.434 1.00 0.00 C ATOM 839 OD1 ASP A 52 -0.575 -4.504 -13.836 1.00 0.00 O ATOM 840 OD2 ASP A 52 -1.122 -3.437 -15.679 1.00 0.00 O ATOM 0 H ASP A 52 -1.770 -1.622 -11.276 1.00 0.00 H new ATOM 0 HA ASP A 52 0.395 -2.102 -12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.275 -2.788 -12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.253 -1.752 -14.240 1.00 0.00 H new ATOM 845 N GLN A 53 -0.767 0.863 -13.386 1.00 0.00 N ATOM 846 CA GLN A 53 -0.563 2.097 -14.118 1.00 0.00 C ATOM 847 C GLN A 53 0.673 2.796 -13.594 1.00 0.00 C ATOM 848 O GLN A 53 1.429 3.420 -14.339 1.00 0.00 O ATOM 849 CB GLN A 53 -1.791 3.001 -13.978 1.00 0.00 C ATOM 850 CG GLN A 53 -1.845 4.126 -14.997 1.00 0.00 C ATOM 851 CD GLN A 53 -1.677 3.634 -16.422 1.00 0.00 C ATOM 852 OE1 GLN A 53 -0.665 3.902 -17.069 1.00 0.00 O ATOM 853 NE2 GLN A 53 -2.673 2.909 -16.918 1.00 0.00 N ATOM 0 H GLN A 53 -1.310 0.964 -12.528 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.422 1.872 -15.175 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.691 2.393 -14.074 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.802 3.430 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.798 4.647 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.063 4.851 -14.773 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.494 2.711 -16.346 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.617 2.550 -17.871 1.00 0.00 H new ATOM 862 N VAL A 54 0.844 2.693 -12.285 1.00 0.00 N ATOM 863 CA VAL A 54 1.950 3.315 -11.594 1.00 0.00 C ATOM 864 C VAL A 54 3.229 2.490 -11.669 1.00 0.00 C ATOM 865 O VAL A 54 4.312 2.969 -11.339 1.00 0.00 O ATOM 866 CB VAL A 54 1.564 3.582 -10.131 1.00 0.00 C ATOM 867 CG1 VAL A 54 1.647 2.357 -9.244 1.00 0.00 C ATOM 868 CG2 VAL A 54 2.421 4.664 -9.576 1.00 0.00 C ATOM 0 H VAL A 54 0.214 2.172 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 54 2.160 4.259 -12.096 1.00 0.00 H new ATOM 0 HB VAL A 54 0.517 3.885 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.360 2.624 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.973 1.588 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.668 1.976 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.145 4.851 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.467 4.361 -9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.280 5.574 -10.159 1.00 0.00 H new ATOM 878 N THR A 55 3.089 1.256 -12.107 1.00 0.00 N ATOM 879 CA THR A 55 4.221 0.345 -12.235 1.00 0.00 C ATOM 880 C THR A 55 5.257 0.845 -13.229 1.00 0.00 C ATOM 881 O THR A 55 6.397 0.381 -13.244 1.00 0.00 O ATOM 882 CB THR A 55 3.733 -1.028 -12.653 1.00 0.00 C ATOM 883 OG1 THR A 55 2.991 -0.960 -13.858 1.00 0.00 O ATOM 884 CG2 THR A 55 2.863 -1.657 -11.604 1.00 0.00 C ATOM 0 H THR A 55 2.194 0.852 -12.385 1.00 0.00 H new ATOM 0 HA THR A 55 4.704 0.290 -11.259 1.00 0.00 H new ATOM 0 HB THR A 55 4.625 -1.638 -12.795 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.689 -1.858 -14.107 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.535 -2.639 -11.944 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.429 -1.764 -10.678 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.992 -1.025 -11.427 1.00 0.00 H new ATOM 892 N ARG A 56 4.847 1.777 -14.064 1.00 0.00 N ATOM 893 CA ARG A 56 5.733 2.336 -15.081 1.00 0.00 C ATOM 894 C ARG A 56 5.681 3.862 -15.106 1.00 0.00 C ATOM 895 O ARG A 56 5.751 4.474 -16.172 1.00 0.00 O ATOM 896 CB ARG A 56 5.362 1.783 -16.459 1.00 0.00 C ATOM 897 CG ARG A 56 3.990 2.225 -16.945 1.00 0.00 C ATOM 898 CD ARG A 56 3.067 1.039 -17.174 1.00 0.00 C ATOM 899 NE ARG A 56 3.048 0.621 -18.573 1.00 0.00 N ATOM 900 CZ ARG A 56 2.082 -0.118 -19.114 1.00 0.00 C ATOM 901 NH1 ARG A 56 1.055 -0.524 -18.377 1.00 0.00 N ATOM 902 NH2 ARG A 56 2.142 -0.453 -20.396 1.00 0.00 N ATOM 0 H ARG A 56 3.905 2.168 -14.064 1.00 0.00 H new ATOM 0 HA ARG A 56 6.751 2.042 -14.827 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.113 2.100 -17.182 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.392 0.694 -16.424 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.544 2.898 -16.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.096 2.788 -17.872 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.388 0.204 -16.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.056 1.301 -16.860 1.00 0.00 H new ATOM 0 HE ARG A 56 3.821 0.913 -19.171 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.003 -0.270 -17.391 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.318 -1.090 -18.797 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.928 -0.144 -20.967 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.402 -1.019 -20.810 1.00 0.00 H new ATOM 916 N THR A 57 5.564 4.477 -13.933 1.00 0.00 N ATOM 917 CA THR A 57 5.512 5.934 -13.845 1.00 0.00 C ATOM 918 C THR A 57 6.526 6.468 -12.836 1.00 0.00 C ATOM 919 O THR A 57 7.064 5.717 -12.022 1.00 0.00 O ATOM 920 CB THR A 57 4.104 6.398 -13.467 1.00 0.00 C ATOM 921 OG1 THR A 57 3.962 7.791 -13.686 1.00 0.00 O ATOM 922 CG2 THR A 57 3.744 6.120 -12.023 1.00 0.00 C ATOM 0 H THR A 57 5.504 3.995 -13.036 1.00 0.00 H new ATOM 0 HA THR A 57 5.767 6.333 -14.827 1.00 0.00 H new ATOM 0 HB THR A 57 3.431 5.825 -14.105 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.134 8.105 -13.267 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.733 6.475 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.795 5.048 -11.835 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.445 6.637 -11.367 1.00 0.00 H new ATOM 930 N GLN A 58 6.778 7.774 -12.896 1.00 0.00 N ATOM 931 CA GLN A 58 7.723 8.415 -11.989 1.00 0.00 C ATOM 932 C GLN A 58 7.277 8.252 -10.541 1.00 0.00 C ATOM 933 O GLN A 58 8.094 8.006 -9.653 1.00 0.00 O ATOM 934 CB GLN A 58 7.863 9.900 -12.329 1.00 0.00 C ATOM 935 CG GLN A 58 8.962 10.192 -13.337 1.00 0.00 C ATOM 936 CD GLN A 58 8.743 11.497 -14.077 1.00 0.00 C ATOM 937 OE1 GLN A 58 7.904 11.582 -14.974 1.00 0.00 O ATOM 938 NE2 GLN A 58 9.498 12.524 -13.703 1.00 0.00 N ATOM 0 H GLN A 58 6.340 8.408 -13.564 1.00 0.00 H new ATOM 0 HA GLN A 58 8.692 7.931 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.914 10.265 -12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.064 10.456 -11.414 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.922 10.227 -12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.016 9.375 -14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.181 12.409 -12.954 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.394 13.428 -14.164 1.00 0.00 H new ATOM 947 N GLN A 59 5.974 8.383 -10.311 1.00 0.00 N ATOM 948 CA GLN A 59 5.408 8.244 -8.978 1.00 0.00 C ATOM 949 C GLN A 59 5.899 6.962 -8.317 1.00 0.00 C ATOM 950 O GLN A 59 6.082 6.895 -7.097 1.00 0.00 O ATOM 951 CB GLN A 59 3.881 8.230 -9.065 1.00 0.00 C ATOM 952 CG GLN A 59 3.322 9.127 -10.162 1.00 0.00 C ATOM 953 CD GLN A 59 3.809 10.559 -10.050 1.00 0.00 C ATOM 954 OE1 GLN A 59 4.172 11.020 -8.968 1.00 0.00 O ATOM 955 NE2 GLN A 59 3.819 11.270 -11.172 1.00 0.00 N ATOM 0 H GLN A 59 5.288 8.587 -11.038 1.00 0.00 H new ATOM 0 HA GLN A 59 5.730 9.091 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.545 7.208 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.468 8.543 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.607 8.725 -11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.233 9.113 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.509 10.847 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.137 12.239 -11.159 1.00 0.00 H new ATOM 964 N TRP A 60 6.115 5.941 -9.133 1.00 0.00 N ATOM 965 CA TRP A 60 6.583 4.667 -8.627 1.00 0.00 C ATOM 966 C TRP A 60 7.891 4.831 -7.884 1.00 0.00 C ATOM 967 O TRP A 60 8.113 4.191 -6.857 1.00 0.00 O ATOM 968 CB TRP A 60 6.738 3.661 -9.756 1.00 0.00 C ATOM 969 CG TRP A 60 6.107 2.332 -9.470 1.00 0.00 C ATOM 970 CD1 TRP A 60 6.324 1.186 -10.166 1.00 0.00 C ATOM 971 CD2 TRP A 60 5.163 2.001 -8.430 1.00 0.00 C ATOM 972 NE1 TRP A 60 5.569 0.166 -9.648 1.00 0.00 N ATOM 973 CE2 TRP A 60 4.853 0.636 -8.577 1.00 0.00 C ATOM 974 CE3 TRP A 60 4.545 2.716 -7.392 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.960 -0.021 -7.732 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.663 2.060 -6.557 1.00 0.00 C ATOM 977 CH2 TRP A 60 3.378 0.704 -6.731 1.00 0.00 C ATOM 0 H TRP A 60 5.974 5.973 -10.143 1.00 0.00 H new ATOM 0 HA TRP A 60 5.836 4.288 -7.929 1.00 0.00 H new ATOM 0 HB2 TRP A 60 6.297 4.075 -10.663 1.00 0.00 H new ATOM 0 HB3 TRP A 60 7.799 3.514 -9.956 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.995 1.092 -11.007 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.544 -0.790 -10.003 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.757 3.765 -7.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.736 -1.069 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.185 2.604 -5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.684 0.219 -6.061 1.00 0.00 H new ATOM 988 N SER A 61 8.751 5.707 -8.388 1.00 0.00 N ATOM 989 CA SER A 61 10.020 5.955 -7.731 1.00 0.00 C ATOM 990 C SER A 61 9.759 6.260 -6.262 1.00 0.00 C ATOM 991 O SER A 61 10.472 5.794 -5.385 1.00 0.00 O ATOM 992 CB SER A 61 10.758 7.118 -8.395 1.00 0.00 C ATOM 993 OG SER A 61 11.854 7.545 -7.605 1.00 0.00 O ATOM 0 H SER A 61 8.593 6.249 -9.238 1.00 0.00 H new ATOM 0 HA SER A 61 10.651 5.071 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.113 6.813 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.070 7.950 -8.548 1.00 0.00 H new ATOM 0 HG SER A 61 12.261 8.338 -8.012 1.00 0.00 H new ATOM 999 N MET A 62 8.688 7.012 -6.000 1.00 0.00 N ATOM 1000 CA MET A 62 8.304 7.337 -4.631 1.00 0.00 C ATOM 1001 C MET A 62 8.116 6.044 -3.854 1.00 0.00 C ATOM 1002 O MET A 62 8.762 5.810 -2.835 1.00 0.00 O ATOM 1003 CB MET A 62 7.002 8.145 -4.605 1.00 0.00 C ATOM 1004 CG MET A 62 6.922 9.238 -5.660 1.00 0.00 C ATOM 1005 SD MET A 62 5.315 10.059 -5.689 1.00 0.00 S ATOM 1006 CE MET A 62 4.198 8.656 -5.664 1.00 0.00 C ATOM 0 H MET A 62 8.076 7.404 -6.716 1.00 0.00 H new ATOM 0 HA MET A 62 9.089 7.941 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.162 7.463 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.889 8.598 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.700 9.978 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.123 8.807 -6.641 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.169 9.011 -5.607 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.330 8.070 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.415 8.033 -4.796 1.00 0.00 H new ATOM 1016 N VAL A 63 7.245 5.195 -4.383 1.00 0.00 N ATOM 1017 CA VAL A 63 6.969 3.892 -3.795 1.00 0.00 C ATOM 1018 C VAL A 63 8.255 3.063 -3.798 1.00 0.00 C ATOM 1019 O VAL A 63 8.929 2.908 -2.770 1.00 0.00 O ATOM 1020 CB VAL A 63 5.855 3.190 -4.613 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.691 1.726 -4.244 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.537 3.921 -4.446 1.00 0.00 C ATOM 0 H VAL A 63 6.711 5.390 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 63 6.626 4.002 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 63 6.162 3.224 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.898 1.285 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.626 1.197 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.432 1.644 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.765 3.416 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.255 3.926 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.643 4.947 -4.798 1.00 0.00 H new ATOM 1032 N ALA A 64 8.590 2.551 -4.975 1.00 0.00 N ATOM 1033 CA ALA A 64 9.801 1.750 -5.174 1.00 0.00 C ATOM 1034 C ALA A 64 11.014 2.273 -4.391 1.00 0.00 C ATOM 1035 O ALA A 64 11.781 1.480 -3.847 1.00 0.00 O ATOM 1036 CB ALA A 64 10.137 1.693 -6.658 1.00 0.00 C ATOM 0 H ALA A 64 8.034 2.676 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 64 9.585 0.754 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.038 1.097 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.309 1.238 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.305 2.703 -7.032 1.00 0.00 H new ATOM 1042 N GLN A 65 11.205 3.591 -4.336 1.00 0.00 N ATOM 1043 CA GLN A 65 12.352 4.144 -3.609 1.00 0.00 C ATOM 1044 C GLN A 65 12.056 4.265 -2.119 1.00 0.00 C ATOM 1045 O GLN A 65 12.971 4.247 -1.295 1.00 0.00 O ATOM 1046 CB GLN A 65 12.773 5.508 -4.164 1.00 0.00 C ATOM 1047 CG GLN A 65 13.250 5.460 -5.608 1.00 0.00 C ATOM 1048 CD GLN A 65 14.442 6.364 -5.858 1.00 0.00 C ATOM 1049 OE1 GLN A 65 15.465 6.240 -5.020 1.00 0.00 O flip ATOM 1050 NE2 GLN A 65 14.443 7.164 -6.793 1.00 0.00 N flip ATOM 0 H GLN A 65 10.597 4.283 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 65 13.178 3.446 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.930 6.196 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.570 5.914 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.516 4.435 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.432 5.752 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.635 7.226 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.252 7.766 -6.949 1.00 0.00 H new ATOM 1059 N ARG A 66 10.778 4.378 -1.770 1.00 0.00 N ATOM 1060 CA ARG A 66 10.380 4.488 -0.369 1.00 0.00 C ATOM 1061 C ARG A 66 10.995 3.361 0.445 1.00 0.00 C ATOM 1062 O ARG A 66 11.525 3.580 1.534 1.00 0.00 O ATOM 1063 CB ARG A 66 8.856 4.450 -0.243 1.00 0.00 C ATOM 1064 CG ARG A 66 8.261 5.654 0.482 1.00 0.00 C ATOM 1065 CD ARG A 66 8.831 6.974 -0.024 1.00 0.00 C ATOM 1066 NE ARG A 66 8.273 8.120 0.691 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.691 8.522 1.889 1.00 0.00 C ATOM 1068 NH1 ARG A 66 9.667 7.873 2.512 1.00 0.00 N ATOM 1069 NH2 ARG A 66 8.132 9.577 2.467 1.00 0.00 N ATOM 0 H ARG A 66 10.003 4.396 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 66 10.741 5.441 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.421 4.389 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.568 3.542 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.179 5.655 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.454 5.563 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.915 6.968 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.623 7.075 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 66 7.519 8.643 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.101 7.061 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.983 8.186 3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.382 10.080 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.452 9.885 3.385 1.00 0.00 H new ATOM 1083 N LEU A 67 10.931 2.153 -0.102 1.00 0.00 N ATOM 1084 CA LEU A 67 11.499 0.986 0.573 1.00 0.00 C ATOM 1085 C LEU A 67 13.024 0.967 0.454 1.00 0.00 C ATOM 1086 O LEU A 67 13.673 0.033 0.926 1.00 0.00 O ATOM 1087 CB LEU A 67 10.947 -0.326 -0.002 1.00 0.00 C ATOM 1088 CG LEU A 67 9.557 -0.260 -0.636 1.00 0.00 C ATOM 1089 CD1 LEU A 67 9.651 0.161 -2.093 1.00 0.00 C ATOM 1090 CD2 LEU A 67 8.870 -1.611 -0.528 1.00 0.00 C ATOM 0 H LEU A 67 10.496 1.954 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 67 11.213 1.066 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.648 -0.691 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.923 -1.066 0.798 1.00 0.00 H new ATOM 0 HG LEU A 67 8.968 0.484 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.651 0.202 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.115 1.145 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.255 -0.562 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.881 -1.554 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.464 -2.364 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.771 -1.886 0.522 1.00 0.00 H new ATOM 1102 N GLN A 68 13.594 1.980 -0.197 1.00 0.00 N ATOM 1103 CA GLN A 68 15.037 2.038 -0.389 1.00 0.00 C ATOM 1104 C GLN A 68 15.484 0.834 -1.205 1.00 0.00 C ATOM 1105 O GLN A 68 16.545 0.258 -0.968 1.00 0.00 O ATOM 1106 CB GLN A 68 15.761 2.060 0.960 1.00 0.00 C ATOM 1107 CG GLN A 68 15.389 3.250 1.830 1.00 0.00 C ATOM 1108 CD GLN A 68 16.411 3.518 2.918 1.00 0.00 C ATOM 1109 OE1 GLN A 68 17.067 2.600 3.409 1.00 0.00 O ATOM 1110 NE2 GLN A 68 16.552 4.782 3.299 1.00 0.00 N ATOM 0 H GLN A 68 13.080 2.765 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 68 15.288 2.954 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.534 1.141 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.837 2.070 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.289 4.136 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.416 3.071 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.987 5.512 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.225 5.023 4.026 1.00 0.00 H new ATOM 1119 N ILE A 69 14.638 0.448 -2.155 1.00 0.00 N ATOM 1120 CA ILE A 69 14.900 -0.702 -3.005 1.00 0.00 C ATOM 1121 C ILE A 69 15.060 -0.299 -4.470 1.00 0.00 C ATOM 1122 O ILE A 69 15.953 -0.787 -5.163 1.00 0.00 O ATOM 1123 CB ILE A 69 13.763 -1.735 -2.866 1.00 0.00 C ATOM 1124 CG1 ILE A 69 14.022 -2.956 -3.752 1.00 0.00 C ATOM 1125 CG2 ILE A 69 12.419 -1.093 -3.199 1.00 0.00 C ATOM 1126 CD1 ILE A 69 14.664 -4.111 -3.015 1.00 0.00 C ATOM 0 H ILE A 69 13.757 0.922 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 69 15.839 -1.147 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 69 13.733 -2.076 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.078 -3.290 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.665 -2.663 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.626 -1.834 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.232 -0.265 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.437 -0.721 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.818 -4.941 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.624 -3.794 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.013 -4.431 -2.202 1.00 0.00 H new ATOM 1138 N SER A 70 14.191 0.589 -4.936 1.00 0.00 N ATOM 1139 CA SER A 70 14.237 1.054 -6.322 1.00 0.00 C ATOM 1140 C SER A 70 13.910 -0.080 -7.293 1.00 0.00 C ATOM 1141 O SER A 70 14.407 -0.111 -8.419 1.00 0.00 O ATOM 1142 CB SER A 70 15.615 1.636 -6.643 1.00 0.00 C ATOM 1143 OG SER A 70 15.522 2.658 -7.622 1.00 0.00 O ATOM 0 H SER A 70 13.445 1.003 -4.377 1.00 0.00 H new ATOM 0 HA SER A 70 13.485 1.834 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.064 2.038 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.273 0.844 -7.001 1.00 0.00 H new ATOM 0 HG SER A 70 16.416 3.015 -7.808 1.00 0.00 H new ATOM 1149 N ASP A 71 13.069 -1.006 -6.846 1.00 0.00 N ATOM 1150 CA ASP A 71 12.662 -2.146 -7.664 1.00 0.00 C ATOM 1151 C ASP A 71 11.181 -2.045 -8.018 1.00 0.00 C ATOM 1152 O ASP A 71 10.389 -2.900 -7.629 1.00 0.00 O ATOM 1153 CB ASP A 71 12.935 -3.450 -6.906 1.00 0.00 C ATOM 1154 CG ASP A 71 13.574 -4.508 -7.784 1.00 0.00 C ATOM 1155 OD1 ASP A 71 12.848 -5.129 -8.589 1.00 0.00 O ATOM 1156 OD2 ASP A 71 14.800 -4.717 -7.665 1.00 0.00 O ATOM 0 H ASP A 71 12.652 -0.990 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 71 13.239 -2.141 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.587 -3.244 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.999 -3.835 -6.502 1.00 0.00 H new ATOM 1161 N TYR A 72 10.822 -0.983 -8.749 1.00 0.00 N ATOM 1162 CA TYR A 72 9.436 -0.712 -9.164 1.00 0.00 C ATOM 1163 C TYR A 72 8.630 -1.980 -9.431 1.00 0.00 C ATOM 1164 O TYR A 72 7.411 -2.008 -9.236 1.00 0.00 O ATOM 1165 CB TYR A 72 9.421 0.179 -10.409 1.00 0.00 C ATOM 1166 CG TYR A 72 10.622 -0.003 -11.312 1.00 0.00 C ATOM 1167 CD1 TYR A 72 10.788 -1.167 -12.053 1.00 0.00 C ATOM 1168 CD2 TYR A 72 11.587 0.989 -11.424 1.00 0.00 C ATOM 1169 CE1 TYR A 72 11.884 -1.337 -12.878 1.00 0.00 C ATOM 1170 CE2 TYR A 72 12.685 0.827 -12.248 1.00 0.00 C ATOM 1171 CZ TYR A 72 12.829 -0.337 -12.972 1.00 0.00 C ATOM 1172 OH TYR A 72 13.921 -0.502 -13.793 1.00 0.00 O ATOM 0 H TYR A 72 11.488 -0.281 -9.073 1.00 0.00 H new ATOM 0 HA TYR A 72 8.959 -0.200 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.516 -0.028 -10.980 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.370 1.222 -10.096 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.049 -1.951 -11.983 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.478 1.902 -10.858 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.000 -2.248 -13.446 1.00 0.00 H new ATOM 0 HE2 TYR A 72 13.426 1.609 -12.324 1.00 0.00 H new ATOM 0 HH TYR A 72 14.489 0.295 -13.746 1.00 0.00 H new ATOM 1182 N GLN A 73 9.300 -3.026 -9.875 1.00 0.00 N ATOM 1183 CA GLN A 73 8.630 -4.275 -10.158 1.00 0.00 C ATOM 1184 C GLN A 73 8.163 -4.941 -8.857 1.00 0.00 C ATOM 1185 O GLN A 73 7.021 -5.410 -8.748 1.00 0.00 O ATOM 1186 CB GLN A 73 9.581 -5.162 -10.962 1.00 0.00 C ATOM 1187 CG GLN A 73 10.282 -6.246 -10.165 1.00 0.00 C ATOM 1188 CD GLN A 73 9.520 -7.558 -10.185 1.00 0.00 C ATOM 1189 OE1 GLN A 73 8.816 -7.847 -9.095 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 9.563 -8.301 -11.166 1.00 0.00 N flip ATOM 0 H GLN A 73 10.305 -3.033 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 73 7.733 -4.103 -10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.019 -5.632 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.337 -4.529 -11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.282 -6.403 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.404 -5.915 -9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.117 -8.038 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.045 -9.179 -11.164 1.00 0.00 H new ATOM 1199 N GLN A 74 9.036 -4.941 -7.855 1.00 0.00 N ATOM 1200 CA GLN A 74 8.706 -5.509 -6.565 1.00 0.00 C ATOM 1201 C GLN A 74 7.580 -4.712 -5.943 1.00 0.00 C ATOM 1202 O GLN A 74 6.848 -5.208 -5.091 1.00 0.00 O ATOM 1203 CB GLN A 74 9.931 -5.494 -5.653 1.00 0.00 C ATOM 1204 CG GLN A 74 11.007 -6.487 -6.062 1.00 0.00 C ATOM 1205 CD GLN A 74 11.177 -7.612 -5.059 1.00 0.00 C ATOM 1206 OE1 GLN A 74 10.204 -8.243 -4.645 1.00 0.00 O ATOM 1207 NE2 GLN A 74 12.418 -7.870 -4.664 1.00 0.00 N ATOM 0 H GLN A 74 9.977 -4.552 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 74 8.388 -6.543 -6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.357 -4.491 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.616 -5.712 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.756 -6.908 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 74 11.955 -5.962 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 74 13.195 -7.322 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.594 -8.616 -3.992 1.00 0.00 H new ATOM 1216 N LEU A 75 7.448 -3.467 -6.381 1.00 0.00 N ATOM 1217 CA LEU A 75 6.423 -2.594 -5.879 1.00 0.00 C ATOM 1218 C LEU A 75 5.056 -3.114 -6.212 1.00 0.00 C ATOM 1219 O LEU A 75 4.306 -3.503 -5.330 1.00 0.00 O ATOM 1220 CB LEU A 75 6.616 -1.209 -6.433 1.00 0.00 C ATOM 1221 CG LEU A 75 7.794 -0.505 -5.813 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.580 -0.407 -4.320 1.00 0.00 C ATOM 1223 CD2 LEU A 75 9.076 -1.251 -6.104 1.00 0.00 C ATOM 0 H LEU A 75 8.049 -3.046 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 75 6.504 -2.555 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.758 -1.268 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.713 -0.622 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 75 7.878 0.494 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.429 0.102 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.669 0.156 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.488 -1.408 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.915 -0.725 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.012 -2.259 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.227 -1.308 -7.182 1.00 0.00 H new ATOM 1235 N GLU A 76 4.709 -3.150 -7.478 1.00 0.00 N ATOM 1236 CA GLU A 76 3.397 -3.667 -7.809 1.00 0.00 C ATOM 1237 C GLU A 76 3.231 -5.086 -7.287 1.00 0.00 C ATOM 1238 O GLU A 76 2.111 -5.578 -7.160 1.00 0.00 O ATOM 1239 CB GLU A 76 3.081 -3.617 -9.280 1.00 0.00 C ATOM 1240 CG GLU A 76 1.584 -3.712 -9.499 1.00 0.00 C ATOM 1241 CD GLU A 76 1.195 -3.991 -10.938 1.00 0.00 C ATOM 1242 OE1 GLU A 76 2.021 -4.566 -11.676 1.00 0.00 O ATOM 1243 OE2 GLU A 76 0.061 -3.637 -11.324 1.00 0.00 O ATOM 0 H GLU A 76 5.283 -2.844 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 76 2.683 -3.007 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.460 -2.690 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.584 -4.436 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.182 -4.501 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.119 -2.779 -9.181 1.00 0.00 H new ATOM 1250 N SER A 77 4.340 -5.722 -6.908 1.00 0.00 N ATOM 1251 CA SER A 77 4.257 -7.042 -6.320 1.00 0.00 C ATOM 1252 C SER A 77 3.578 -6.850 -4.979 1.00 0.00 C ATOM 1253 O SER A 77 2.820 -7.688 -4.499 1.00 0.00 O ATOM 1254 CB SER A 77 5.644 -7.669 -6.146 1.00 0.00 C ATOM 1255 OG SER A 77 6.441 -7.478 -7.303 1.00 0.00 O ATOM 0 H SER A 77 5.284 -5.347 -6.998 1.00 0.00 H new ATOM 0 HA SER A 77 3.699 -7.724 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.140 -7.227 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.541 -8.735 -5.944 1.00 0.00 H new ATOM 0 HG SER A 77 6.454 -6.527 -7.538 1.00 0.00 H new ATOM 1261 N ILE A 78 3.844 -5.673 -4.425 1.00 0.00 N ATOM 1262 CA ILE A 78 3.278 -5.232 -3.172 1.00 0.00 C ATOM 1263 C ILE A 78 1.820 -4.873 -3.356 1.00 0.00 C ATOM 1264 O ILE A 78 0.933 -5.356 -2.654 1.00 0.00 O ATOM 1265 CB ILE A 78 3.999 -3.948 -2.641 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.271 -2.661 -3.098 1.00 0.00 C ATOM 1267 CG2 ILE A 78 5.446 -3.887 -3.078 1.00 0.00 C ATOM 1268 CD1 ILE A 78 3.159 -1.607 -2.028 1.00 0.00 C ATOM 0 H ILE A 78 4.473 -4.991 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 78 3.399 -6.051 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 78 3.969 -4.009 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.800 -2.241 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.270 -2.924 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.906 -2.980 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.979 -4.758 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.497 -3.879 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.637 -0.737 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.603 -2.007 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.156 -1.313 -1.701 1.00 0.00 H new ATOM 1280 N TYR A 79 1.612 -3.961 -4.293 1.00 0.00 N ATOM 1281 CA TYR A 79 0.313 -3.435 -4.580 1.00 0.00 C ATOM 1282 C TYR A 79 -0.559 -4.504 -5.146 1.00 0.00 C ATOM 1283 O TYR A 79 -1.524 -4.929 -4.526 1.00 0.00 O ATOM 1284 CB TYR A 79 0.445 -2.248 -5.544 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.818 -1.421 -5.722 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -2.086 -1.984 -5.615 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.733 -0.063 -6.006 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -3.226 -1.220 -5.785 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.869 0.706 -6.175 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.112 0.123 -6.064 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.244 0.886 -6.233 1.00 0.00 O ATOM 0 H TYR A 79 2.355 -3.571 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.153 -3.080 -3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.241 -1.595 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.755 -2.624 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.182 -3.037 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.239 0.400 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.202 -1.675 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.782 1.760 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.169 1.403 -7.062 1.00 0.00 H new ATOM 1301 N PHE A 80 -0.209 -4.925 -6.325 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.984 -5.938 -7.017 1.00 0.00 C ATOM 1303 C PHE A 80 -0.958 -7.310 -6.346 1.00 0.00 C ATOM 1304 O PHE A 80 -2.011 -7.937 -6.186 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.510 -6.070 -8.466 1.00 0.00 C ATOM 1306 CG PHE A 80 -1.492 -6.751 -9.380 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -1.924 -8.045 -9.130 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -1.982 -6.092 -10.497 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.825 -8.666 -9.975 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -2.883 -6.707 -11.344 1.00 0.00 C ATOM 1311 CZ PHE A 80 -3.305 -7.996 -11.083 1.00 0.00 C ATOM 0 H PHE A 80 0.607 -4.589 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.018 -5.594 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.296 -5.076 -8.858 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.427 -6.626 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.552 -8.574 -8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.655 -5.085 -10.708 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.153 -9.674 -9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.257 -6.181 -12.210 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.009 -8.479 -11.744 1.00 0.00 H new ATOM 1321 N ARG A 81 0.227 -7.817 -6.001 1.00 0.00 N ATOM 1322 CA ARG A 81 0.304 -9.165 -5.450 1.00 0.00 C ATOM 1323 C ARG A 81 0.110 -9.262 -3.946 1.00 0.00 C ATOM 1324 O ARG A 81 -0.608 -10.148 -3.481 1.00 0.00 O ATOM 1325 CB ARG A 81 1.617 -9.819 -5.868 1.00 0.00 C ATOM 1326 CG ARG A 81 2.070 -9.430 -7.269 1.00 0.00 C ATOM 1327 CD ARG A 81 0.967 -9.619 -8.300 1.00 0.00 C ATOM 1328 NE ARG A 81 1.098 -10.886 -9.015 1.00 0.00 N ATOM 1329 CZ ARG A 81 0.597 -11.112 -10.228 1.00 0.00 C ATOM 1330 NH1 ARG A 81 -0.072 -10.160 -10.868 1.00 0.00 N ATOM 1331 NH2 ARG A 81 0.765 -12.294 -10.804 1.00 0.00 N ATOM 0 H ARG A 81 1.119 -7.330 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.545 -9.704 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.394 -9.545 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.506 -10.902 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.392 -8.389 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.935 -10.031 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.003 -9.581 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.993 -8.796 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 81 1.604 -11.644 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.205 -9.248 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.453 -10.341 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.278 -13.030 -10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.381 -12.468 -11.733 1.00 0.00 H new ATOM 1345 N ILE A 82 0.743 -8.398 -3.174 1.00 0.00 N ATOM 1346 CA ILE A 82 0.594 -8.488 -1.734 1.00 0.00 C ATOM 1347 C ILE A 82 -0.794 -8.030 -1.292 1.00 0.00 C ATOM 1348 O ILE A 82 -1.401 -8.662 -0.431 1.00 0.00 O ATOM 1349 CB ILE A 82 1.708 -7.725 -0.984 1.00 0.00 C ATOM 1350 CG1 ILE A 82 3.071 -8.325 -1.336 1.00 0.00 C ATOM 1351 CG2 ILE A 82 1.489 -7.789 0.521 1.00 0.00 C ATOM 1352 CD1 ILE A 82 4.240 -7.582 -0.725 1.00 0.00 C ATOM 0 H ILE A 82 1.348 -7.647 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 82 0.698 -9.539 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 82 1.679 -6.680 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.098 -9.363 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.185 -8.335 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.286 -7.245 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.528 -7.339 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.497 -8.829 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.172 -8.065 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.240 -6.550 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.151 -7.595 0.361 1.00 0.00 H new ATOM 1364 N LEU A 83 -1.320 -6.959 -1.889 1.00 0.00 N ATOM 1365 CA LEU A 83 -2.651 -6.490 -1.517 1.00 0.00 C ATOM 1366 C LEU A 83 -3.262 -5.574 -2.573 1.00 0.00 C ATOM 1367 O LEU A 83 -3.519 -4.412 -2.287 1.00 0.00 O ATOM 1368 CB LEU A 83 -2.602 -5.737 -0.186 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.671 -4.524 -0.149 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -2.132 -3.540 0.913 1.00 0.00 C ATOM 1371 CD2 LEU A 83 -0.236 -4.949 0.115 1.00 0.00 C ATOM 0 H LEU A 83 -0.856 -6.413 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.277 -7.378 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.611 -5.406 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.294 -6.433 0.594 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.708 -4.036 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.461 -2.681 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.144 -3.206 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.122 -4.026 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.406 -4.068 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.179 -5.463 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.096 -5.621 -0.677 1.00 0.00 H new ATOM 1383 N LEU A 84 -3.514 -6.068 -3.789 1.00 0.00 N ATOM 1384 CA LEU A 84 -4.104 -5.205 -4.809 1.00 0.00 C ATOM 1385 C LEU A 84 -5.361 -4.498 -4.240 1.00 0.00 C ATOM 1386 O LEU A 84 -5.324 -3.308 -3.925 1.00 0.00 O ATOM 1387 CB LEU A 84 -4.380 -6.020 -6.102 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.952 -5.236 -7.282 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -5.087 -3.787 -6.905 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -4.079 -5.394 -8.517 1.00 0.00 C ATOM 0 H LEU A 84 -3.326 -7.027 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.405 -4.416 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.447 -6.486 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.072 -6.826 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.937 -5.634 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.495 -3.228 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.756 -3.694 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.108 -3.386 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.509 -4.826 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.077 -5.022 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.024 -6.447 -8.792 1.00 0.00 H new ATOM 1402 N PRO A 85 -6.462 -5.235 -4.076 1.00 0.00 N ATOM 1403 CA PRO A 85 -7.737 -4.755 -3.524 1.00 0.00 C ATOM 1404 C PRO A 85 -7.588 -3.793 -2.339 1.00 0.00 C ATOM 1405 O PRO A 85 -7.975 -2.628 -2.428 1.00 0.00 O ATOM 1406 CB PRO A 85 -8.404 -6.069 -3.050 1.00 0.00 C ATOM 1407 CG PRO A 85 -7.352 -7.121 -3.239 1.00 0.00 C ATOM 1408 CD PRO A 85 -6.560 -6.630 -4.394 1.00 0.00 C ATOM 0 HA PRO A 85 -8.297 -4.180 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.714 -6.002 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.297 -6.293 -3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.733 -7.232 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.794 -8.096 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.583 -7.109 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.064 -6.803 -5.345 1.00 0.00 H new ATOM 1416 N TYR A 86 -7.058 -4.297 -1.222 1.00 0.00 N ATOM 1417 CA TYR A 86 -6.892 -3.497 -0.002 1.00 0.00 C ATOM 1418 C TYR A 86 -6.431 -2.074 -0.296 1.00 0.00 C ATOM 1419 O TYR A 86 -6.793 -1.139 0.416 1.00 0.00 O ATOM 1420 CB TYR A 86 -5.914 -4.174 0.957 1.00 0.00 C ATOM 1421 CG TYR A 86 -5.965 -3.615 2.363 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -7.157 -3.142 2.904 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -4.821 -3.553 3.148 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -7.205 -2.626 4.184 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -4.863 -3.036 4.430 1.00 0.00 C ATOM 1426 CZ TYR A 86 -6.057 -2.575 4.942 1.00 0.00 C ATOM 1427 OH TYR A 86 -6.104 -2.058 6.215 1.00 0.00 O ATOM 0 H TYR A 86 -6.734 -5.260 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.874 -3.433 0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -6.130 -5.242 0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.902 -4.066 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.060 -3.179 2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.884 -3.914 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.139 -2.264 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.964 -2.994 5.027 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.037 -1.999 6.510 1.00 0.00 H new ATOM 1437 N GLU A 87 -5.635 -1.915 -1.339 1.00 0.00 N ATOM 1438 CA GLU A 87 -5.131 -0.601 -1.715 1.00 0.00 C ATOM 1439 C GLU A 87 -6.079 0.078 -2.690 1.00 0.00 C ATOM 1440 O GLU A 87 -6.378 1.264 -2.562 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.745 -0.736 -2.337 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.927 -1.854 -1.721 1.00 0.00 C ATOM 1443 CD GLU A 87 -1.441 -1.702 -1.978 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -1.075 -1.165 -3.044 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -0.642 -2.114 -1.111 1.00 0.00 O ATOM 0 H GLU A 87 -5.323 -2.677 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.062 0.015 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.849 -0.916 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.208 0.206 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.105 -1.879 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.265 -2.809 -2.122 1.00 0.00 H new ATOM 1452 N ARG A 88 -6.549 -0.689 -3.664 1.00 0.00 N ATOM 1453 CA ARG A 88 -7.470 -0.171 -4.672 1.00 0.00 C ATOM 1454 C ARG A 88 -8.905 -0.094 -4.145 1.00 0.00 C ATOM 1455 O ARG A 88 -9.833 0.191 -4.902 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.424 -1.050 -5.923 1.00 0.00 C ATOM 1457 CG ARG A 88 -6.554 -0.484 -7.033 1.00 0.00 C ATOM 1458 CD ARG A 88 -7.056 -0.908 -8.404 1.00 0.00 C ATOM 1459 NE ARG A 88 -8.377 -0.358 -8.697 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.587 0.892 -9.104 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -7.566 1.724 -9.269 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -9.821 1.312 -9.347 1.00 0.00 N ATOM 0 H ARG A 88 -6.309 -1.674 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.151 0.841 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.052 -2.038 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.438 -1.184 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.542 0.604 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.526 -0.822 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.349 -0.580 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.097 -1.996 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.187 -0.968 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.614 1.407 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.733 2.681 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.610 0.677 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.982 2.270 -9.659 1.00 0.00 H new ATOM 1476 N HIS A 89 -9.088 -0.356 -2.853 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.415 -0.320 -2.249 1.00 0.00 C ATOM 1478 C HIS A 89 -10.793 1.092 -1.800 1.00 0.00 C ATOM 1479 O HIS A 89 -11.902 1.558 -2.065 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.476 -1.279 -1.057 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.439 -2.411 -1.247 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -12.578 -2.309 -2.018 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -11.427 -3.675 -0.761 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -13.225 -3.461 -1.997 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -12.548 -4.306 -1.242 1.00 0.00 N ATOM 0 H HIS A 89 -8.336 -0.595 -2.207 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.133 -0.634 -3.007 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.481 -1.686 -0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.757 -0.719 -0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.676 -4.106 -0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.151 -3.675 -2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.814 -5.271 -1.047 1.00 0.00 H new