USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 890 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 63 GLN : amide:sc= -0.0566 X(o=-0.1,f=-0.086) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0456 X(o=-0.1,f=-0.48) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0.153 USER MOD Set 2.2: A 50 ASN : amide:sc= 0.194 X(o=0.35,f=0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.00662 (180deg=-0.0196) USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.61) USER MOD Single : A 9 SER OG : rot 180:sc= -0.668 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 78:sc= 0.671 USER MOD Single : A 19 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.173 (180deg=-1!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 26 TYR OH : rot -114:sc= 0.389 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.434 F(o=-2.1,f=-0.43) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -161:sc= -0.0554 (180deg=-1.01) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -0.327 (180deg=-0.382) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 70 GLN : amide:sc= -0.0747 X(o=-0.075,f=-0.32) USER MOD Single : A 71 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.85) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 151:sc= 0.465 USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.387 USER MOD Single : A 92 THR OG1 : rot 71:sc= 1.36 USER MOD Single : A 93 GLN : amide:sc= -0.0412 K(o=-0.041,f=-1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -1.95 K(o=-2,f=-3.5!) USER MOD Single : A 108 HIS : no HE2:sc= 0.0275 K(o=0.028,f=-1.5) USER MOD Single : A 109 HIS : no HE2:sc= -0.744 K(o=-0.74,f=-3.8!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.442 3.872 15.974 1.00 12.40 N ATOM 2 CA MET A 1 4.539 4.291 14.882 1.00 20.00 C ATOM 3 C MET A 1 4.924 3.600 13.562 1.00 20.13 C ATOM 4 O MET A 1 6.111 3.382 13.280 1.00 22.03 O ATOM 5 CB MET A 1 4.541 5.839 14.721 1.00 23.52 C ATOM 6 CG MET A 1 3.966 6.607 15.919 1.00 33.03 C ATOM 7 SD MET A 1 3.949 8.395 15.646 1.00 31.11 S ATOM 8 CE MET A 1 3.347 9.021 17.218 1.00 32.32 C ATOM 0 H1 MET A 1 4.905 3.329 16.680 1.00 12.40 H new ATOM 0 H2 MET A 1 6.203 3.279 15.587 1.00 12.40 H new ATOM 0 H3 MET A 1 5.854 4.713 16.426 1.00 12.40 H new ATOM 0 HA MET A 1 3.526 3.983 15.143 1.00 20.00 H new ATOM 0 HB2 MET A 1 5.565 6.172 14.550 1.00 23.52 H new ATOM 0 HB3 MET A 1 3.968 6.099 13.831 1.00 23.52 H new ATOM 0 HG2 MET A 1 2.951 6.262 16.115 1.00 33.03 H new ATOM 0 HG3 MET A 1 4.556 6.383 16.808 1.00 33.03 H new ATOM 0 HE1 MET A 1 3.291 10.109 17.179 1.00 32.32 H new ATOM 0 HE2 MET A 1 2.356 8.614 17.416 1.00 32.32 H new ATOM 0 HE3 MET A 1 4.028 8.721 18.014 1.00 32.32 H new ATOM 20 N GLY A 2 3.894 3.255 12.770 1.00 12.21 N ATOM 21 CA GLY A 2 4.050 2.658 11.442 1.00 24.11 C ATOM 22 C GLY A 2 3.059 3.280 10.476 1.00 53.54 C ATOM 23 O GLY A 2 1.861 3.315 10.774 1.00 22.50 O ATOM 0 H GLY A 2 2.920 3.387 13.042 1.00 12.21 H new ATOM 0 HA2 GLY A 2 5.067 2.812 11.082 1.00 24.11 H new ATOM 0 HA3 GLY A 2 3.891 1.581 11.497 1.00 24.11 H new ATOM 27 N LYS A 3 3.542 3.793 9.335 1.00 71.31 N ATOM 28 CA LYS A 3 2.706 4.502 8.353 1.00 73.00 C ATOM 29 C LYS A 3 2.767 3.775 7.008 1.00 11.12 C ATOM 30 O LYS A 3 3.841 3.643 6.425 1.00 23.43 O ATOM 31 CB LYS A 3 3.174 5.972 8.211 1.00 72.41 C ATOM 32 CG LYS A 3 2.280 6.838 7.294 1.00 33.11 C ATOM 33 CD LYS A 3 2.673 8.334 7.290 1.00 33.20 C ATOM 34 CE LYS A 3 2.460 9.015 8.654 1.00 51.34 C ATOM 35 NZ LYS A 3 2.677 10.481 8.583 1.00 34.12 N ATOM 0 H LYS A 3 4.524 3.728 9.066 1.00 71.31 H new ATOM 0 HA LYS A 3 1.672 4.511 8.698 1.00 73.00 H new ATOM 0 HB2 LYS A 3 3.208 6.427 9.201 1.00 72.41 H new ATOM 0 HB3 LYS A 3 4.192 5.981 7.821 1.00 72.41 H new ATOM 0 HG2 LYS A 3 2.335 6.453 6.276 1.00 33.11 H new ATOM 0 HG3 LYS A 3 1.243 6.743 7.615 1.00 33.11 H new ATOM 0 HD2 LYS A 3 3.720 8.428 7.003 1.00 33.20 H new ATOM 0 HD3 LYS A 3 2.087 8.856 6.534 1.00 33.20 H new ATOM 0 HE2 LYS A 3 1.448 8.815 9.005 1.00 51.34 H new ATOM 0 HE3 LYS A 3 3.142 8.582 9.386 1.00 51.34 H new ATOM 0 HZ1 LYS A 3 2.993 10.831 9.510 1.00 34.12 H new ATOM 0 HZ2 LYS A 3 3.403 10.690 7.869 1.00 34.12 H new ATOM 0 HZ3 LYS A 3 1.787 10.951 8.320 1.00 34.12 H new ATOM 49 N VAL A 4 1.610 3.299 6.535 1.00 62.12 N ATOM 50 CA VAL A 4 1.484 2.551 5.279 1.00 64.43 C ATOM 51 C VAL A 4 0.982 3.484 4.157 1.00 71.44 C ATOM 52 O VAL A 4 0.157 4.362 4.407 1.00 34.44 O ATOM 53 CB VAL A 4 0.477 1.351 5.446 1.00 20.31 C ATOM 54 CG1 VAL A 4 0.384 0.511 4.156 1.00 70.05 C ATOM 55 CG2 VAL A 4 0.846 0.460 6.658 1.00 70.23 C ATOM 0 H VAL A 4 0.722 3.424 7.021 1.00 62.12 H new ATOM 0 HA VAL A 4 2.466 2.157 5.016 1.00 64.43 H new ATOM 0 HB VAL A 4 -0.506 1.782 5.638 1.00 20.31 H new ATOM 0 HG11 VAL A 4 -0.319 -0.308 4.305 1.00 70.05 H new ATOM 0 HG12 VAL A 4 0.039 1.141 3.336 1.00 70.05 H new ATOM 0 HG13 VAL A 4 1.367 0.106 3.914 1.00 70.05 H new ATOM 0 HG21 VAL A 4 0.129 -0.357 6.741 1.00 70.23 H new ATOM 0 HG22 VAL A 4 1.847 0.051 6.518 1.00 70.23 H new ATOM 0 HG23 VAL A 4 0.822 1.057 7.569 1.00 70.23 H new ATOM 65 N LEU A 5 1.491 3.298 2.930 1.00 71.04 N ATOM 66 CA LEU A 5 0.950 3.946 1.731 1.00 3.05 C ATOM 67 C LEU A 5 0.046 2.934 1.018 1.00 42.21 C ATOM 68 O LEU A 5 0.529 1.949 0.445 1.00 65.34 O ATOM 69 CB LEU A 5 2.082 4.423 0.789 1.00 30.10 C ATOM 70 CG LEU A 5 1.623 5.156 -0.518 1.00 63.14 C ATOM 71 CD1 LEU A 5 0.804 6.422 -0.194 1.00 41.43 C ATOM 72 CD2 LEU A 5 2.824 5.485 -1.424 1.00 40.50 C ATOM 0 H LEU A 5 2.290 2.693 2.743 1.00 71.04 H new ATOM 0 HA LEU A 5 0.381 4.831 2.016 1.00 3.05 H new ATOM 0 HB2 LEU A 5 2.735 5.093 1.348 1.00 30.10 H new ATOM 0 HB3 LEU A 5 2.681 3.558 0.506 1.00 30.10 H new ATOM 0 HG LEU A 5 0.972 4.475 -1.066 1.00 63.14 H new ATOM 0 HD11 LEU A 5 0.501 6.907 -1.122 1.00 41.43 H new ATOM 0 HD12 LEU A 5 -0.082 6.146 0.377 1.00 41.43 H new ATOM 0 HD13 LEU A 5 1.414 7.110 0.392 1.00 41.43 H new ATOM 0 HD21 LEU A 5 2.474 5.993 -2.322 1.00 40.50 H new ATOM 0 HD22 LEU A 5 3.517 6.133 -0.888 1.00 40.50 H new ATOM 0 HD23 LEU A 5 3.332 4.562 -1.704 1.00 40.50 H new ATOM 84 N LEU A 6 -1.264 3.168 1.087 1.00 42.11 N ATOM 85 CA LEU A 6 -2.275 2.298 0.490 1.00 25.34 C ATOM 86 C LEU A 6 -2.494 2.741 -0.968 1.00 61.44 C ATOM 87 O LEU A 6 -3.201 3.726 -1.226 1.00 51.23 O ATOM 88 CB LEU A 6 -3.583 2.391 1.325 1.00 25.34 C ATOM 89 CG LEU A 6 -4.732 1.403 0.946 1.00 21.33 C ATOM 90 CD1 LEU A 6 -4.303 -0.066 1.166 1.00 74.21 C ATOM 91 CD2 LEU A 6 -6.025 1.742 1.726 1.00 3.12 C ATOM 0 H LEU A 6 -1.658 3.978 1.566 1.00 42.11 H new ATOM 0 HA LEU A 6 -1.953 1.257 0.492 1.00 25.34 H new ATOM 0 HB2 LEU A 6 -3.329 2.231 2.373 1.00 25.34 H new ATOM 0 HB3 LEU A 6 -3.968 3.407 1.242 1.00 25.34 H new ATOM 0 HG LEU A 6 -4.944 1.521 -0.117 1.00 21.33 H new ATOM 0 HD11 LEU A 6 -5.124 -0.729 0.893 1.00 74.21 H new ATOM 0 HD12 LEU A 6 -3.435 -0.288 0.545 1.00 74.21 H new ATOM 0 HD13 LEU A 6 -4.047 -0.217 2.215 1.00 74.21 H new ATOM 0 HD21 LEU A 6 -6.812 1.042 1.447 1.00 3.12 H new ATOM 0 HD22 LEU A 6 -5.835 1.666 2.797 1.00 3.12 H new ATOM 0 HD23 LEU A 6 -6.340 2.757 1.485 1.00 3.12 H new ATOM 103 N VAL A 7 -1.845 2.033 -1.916 1.00 42.43 N ATOM 104 CA VAL A 7 -1.885 2.374 -3.348 1.00 3.13 C ATOM 105 C VAL A 7 -3.099 1.690 -3.998 1.00 11.23 C ATOM 106 O VAL A 7 -3.124 0.466 -4.197 1.00 5.11 O ATOM 107 CB VAL A 7 -0.564 1.949 -4.095 1.00 65.34 C ATOM 108 CG1 VAL A 7 -0.600 2.339 -5.603 1.00 41.40 C ATOM 109 CG2 VAL A 7 0.680 2.546 -3.396 1.00 53.54 C ATOM 0 H VAL A 7 -1.280 1.210 -1.707 1.00 42.43 H new ATOM 0 HA VAL A 7 -1.972 3.457 -3.435 1.00 3.13 H new ATOM 0 HB VAL A 7 -0.496 0.862 -4.045 1.00 65.34 H new ATOM 0 HG11 VAL A 7 0.329 2.029 -6.081 1.00 41.40 H new ATOM 0 HG12 VAL A 7 -1.441 1.843 -6.087 1.00 41.40 H new ATOM 0 HG13 VAL A 7 -0.713 3.419 -5.697 1.00 41.40 H new ATOM 0 HG21 VAL A 7 1.580 2.239 -3.929 1.00 53.54 H new ATOM 0 HG22 VAL A 7 0.611 3.634 -3.397 1.00 53.54 H new ATOM 0 HG23 VAL A 7 0.727 2.187 -2.368 1.00 53.54 H new ATOM 119 N ILE A 8 -4.111 2.514 -4.280 1.00 51.34 N ATOM 120 CA ILE A 8 -5.372 2.112 -4.908 1.00 74.45 C ATOM 121 C ILE A 8 -5.428 2.726 -6.320 1.00 51.31 C ATOM 122 O ILE A 8 -4.995 3.868 -6.527 1.00 33.25 O ATOM 123 CB ILE A 8 -6.607 2.622 -4.067 1.00 0.13 C ATOM 124 CG1 ILE A 8 -6.467 2.220 -2.564 1.00 23.14 C ATOM 125 CG2 ILE A 8 -7.954 2.118 -4.657 1.00 53.41 C ATOM 126 CD1 ILE A 8 -7.556 2.765 -1.660 1.00 33.33 C ATOM 0 H ILE A 8 -4.074 3.512 -4.071 1.00 51.34 H new ATOM 0 HA ILE A 8 -5.418 1.024 -4.957 1.00 74.45 H new ATOM 0 HB ILE A 8 -6.613 3.710 -4.127 1.00 0.13 H new ATOM 0 HG12 ILE A 8 -6.463 1.132 -2.491 1.00 23.14 H new ATOM 0 HG13 ILE A 8 -5.501 2.567 -2.197 1.00 23.14 H new ATOM 0 HG21 ILE A 8 -8.779 2.490 -4.050 1.00 53.41 H new ATOM 0 HG22 ILE A 8 -8.062 2.482 -5.679 1.00 53.41 H new ATOM 0 HG23 ILE A 8 -7.966 1.028 -4.656 1.00 53.41 H new ATOM 0 HD11 ILE A 8 -7.378 2.436 -0.636 1.00 33.33 H new ATOM 0 HD12 ILE A 8 -7.548 3.854 -1.697 1.00 33.33 H new ATOM 0 HD13 ILE A 8 -8.526 2.397 -1.996 1.00 33.33 H new ATOM 138 N SER A 9 -5.950 1.956 -7.276 1.00 61.53 N ATOM 139 CA SER A 9 -6.160 2.397 -8.659 1.00 43.41 C ATOM 140 C SER A 9 -7.174 1.460 -9.309 1.00 52.55 C ATOM 141 O SER A 9 -7.190 0.258 -9.022 1.00 44.24 O ATOM 142 CB SER A 9 -4.827 2.387 -9.450 1.00 63.14 C ATOM 143 OG SER A 9 -4.993 2.806 -10.792 1.00 41.25 O ATOM 0 H SER A 9 -6.244 0.993 -7.110 1.00 61.53 H new ATOM 0 HA SER A 9 -6.536 3.420 -8.666 1.00 43.41 H new ATOM 0 HB2 SER A 9 -4.109 3.040 -8.954 1.00 63.14 H new ATOM 0 HB3 SER A 9 -4.406 1.381 -9.435 1.00 63.14 H new ATOM 0 HG SER A 9 -4.127 2.785 -11.251 1.00 41.25 H new ATOM 149 N THR A 10 -8.014 2.012 -10.200 1.00 3.22 N ATOM 150 CA THR A 10 -8.982 1.224 -10.990 1.00 31.41 C ATOM 151 C THR A 10 -8.280 0.419 -12.110 1.00 11.32 C ATOM 152 O THR A 10 -8.918 -0.363 -12.824 1.00 15.22 O ATOM 153 CB THR A 10 -10.088 2.152 -11.580 1.00 52.00 C ATOM 154 OG1 THR A 10 -9.479 3.238 -12.300 1.00 53.33 O ATOM 155 CG2 THR A 10 -11.004 2.723 -10.480 1.00 31.24 C ATOM 0 H THR A 10 -8.044 3.013 -10.394 1.00 3.22 H new ATOM 0 HA THR A 10 -9.454 0.505 -10.320 1.00 31.41 H new ATOM 0 HB THR A 10 -10.699 1.549 -12.252 1.00 52.00 H new ATOM 0 HG1 THR A 10 -10.177 3.817 -12.670 1.00 53.33 H new ATOM 0 HG21 THR A 10 -11.760 3.364 -10.933 1.00 31.24 H new ATOM 0 HG22 THR A 10 -11.492 1.904 -9.951 1.00 31.24 H new ATOM 0 HG23 THR A 10 -10.409 3.306 -9.777 1.00 31.24 H new ATOM 163 N ASP A 11 -6.957 0.620 -12.240 1.00 25.32 N ATOM 164 CA ASP A 11 -6.100 -0.134 -13.154 1.00 51.45 C ATOM 165 C ASP A 11 -5.118 -0.984 -12.341 1.00 3.23 C ATOM 166 O ASP A 11 -4.034 -0.515 -11.967 1.00 73.24 O ATOM 167 CB ASP A 11 -5.338 0.815 -14.108 1.00 44.35 C ATOM 168 CG ASP A 11 -6.249 1.499 -15.129 1.00 62.11 C ATOM 169 OD1 ASP A 11 -6.525 0.901 -16.191 1.00 1.42 O ATOM 170 OD2 ASP A 11 -6.706 2.630 -14.881 1.00 51.23 O ATOM 0 H ASP A 11 -6.451 1.323 -11.702 1.00 25.32 H new ATOM 0 HA ASP A 11 -6.722 -0.787 -13.766 1.00 51.45 H new ATOM 0 HB2 ASP A 11 -4.825 1.576 -13.520 1.00 44.35 H new ATOM 0 HB3 ASP A 11 -4.570 0.250 -14.636 1.00 44.35 H new ATOM 175 N THR A 12 -5.524 -2.236 -12.049 1.00 73.51 N ATOM 176 CA THR A 12 -4.666 -3.252 -11.401 1.00 34.15 C ATOM 177 C THR A 12 -3.404 -3.525 -12.261 1.00 20.32 C ATOM 178 O THR A 12 -2.365 -3.949 -11.745 1.00 3.43 O ATOM 179 CB THR A 12 -5.482 -4.573 -11.170 1.00 42.42 C ATOM 180 OG1 THR A 12 -6.717 -4.258 -10.508 1.00 11.14 O ATOM 181 CG2 THR A 12 -4.717 -5.617 -10.329 1.00 23.30 C ATOM 0 H THR A 12 -6.463 -2.574 -12.257 1.00 73.51 H new ATOM 0 HA THR A 12 -4.338 -2.873 -10.433 1.00 34.15 H new ATOM 0 HB THR A 12 -5.660 -5.012 -12.152 1.00 42.42 H new ATOM 0 HG1 THR A 12 -7.230 -5.081 -10.364 1.00 11.14 H new ATOM 0 HG21 THR A 12 -5.334 -6.507 -10.205 1.00 23.30 H new ATOM 0 HG22 THR A 12 -3.791 -5.886 -10.837 1.00 23.30 H new ATOM 0 HG23 THR A 12 -4.485 -5.197 -9.350 1.00 23.30 H new ATOM 189 N ASN A 13 -3.534 -3.244 -13.578 1.00 12.11 N ATOM 190 CA ASN A 13 -2.428 -3.256 -14.556 1.00 71.42 C ATOM 191 C ASN A 13 -1.300 -2.310 -14.108 1.00 40.21 C ATOM 192 O ASN A 13 -0.134 -2.703 -14.045 1.00 33.13 O ATOM 193 CB ASN A 13 -2.943 -2.821 -15.964 1.00 51.41 C ATOM 194 CG ASN A 13 -4.077 -3.686 -16.532 1.00 11.11 C ATOM 195 OD1 ASN A 13 -4.898 -4.240 -15.796 1.00 3.33 O ATOM 196 ND2 ASN A 13 -4.137 -3.802 -17.846 1.00 72.30 N ATOM 0 H ASN A 13 -4.431 -2.998 -13.997 1.00 12.11 H new ATOM 0 HA ASN A 13 -2.038 -4.272 -14.614 1.00 71.42 H new ATOM 0 HB2 ASN A 13 -3.287 -1.788 -15.906 1.00 51.41 H new ATOM 0 HB3 ASN A 13 -2.107 -2.839 -16.663 1.00 51.41 H new ATOM 0 HD21 ASN A 13 -4.875 -4.360 -18.276 1.00 72.30 H new ATOM 0 HD22 ASN A 13 -3.446 -3.333 -18.431 1.00 72.30 H new ATOM 203 N ILE A 14 -1.687 -1.065 -13.747 1.00 53.13 N ATOM 204 CA ILE A 14 -0.735 -0.007 -13.370 1.00 32.23 C ATOM 205 C ILE A 14 -0.143 -0.315 -11.974 1.00 50.13 C ATOM 206 O ILE A 14 1.058 -0.174 -11.770 1.00 23.25 O ATOM 207 CB ILE A 14 -1.414 1.420 -13.389 1.00 33.04 C ATOM 208 CG1 ILE A 14 -2.013 1.754 -14.800 1.00 44.30 C ATOM 209 CG2 ILE A 14 -0.431 2.527 -12.950 1.00 35.24 C ATOM 210 CD1 ILE A 14 -1.009 1.902 -15.935 1.00 33.11 C ATOM 0 H ILE A 14 -2.663 -0.772 -13.710 1.00 53.13 H new ATOM 0 HA ILE A 14 0.069 0.010 -14.105 1.00 32.23 H new ATOM 0 HB ILE A 14 -2.231 1.388 -12.669 1.00 33.04 H new ATOM 0 HG12 ILE A 14 -2.720 0.969 -15.067 1.00 44.30 H new ATOM 0 HG13 ILE A 14 -2.581 2.681 -14.721 1.00 44.30 H new ATOM 0 HG21 ILE A 14 -0.935 3.493 -12.976 1.00 35.24 H new ATOM 0 HG22 ILE A 14 -0.085 2.326 -11.936 1.00 35.24 H new ATOM 0 HG23 ILE A 14 0.423 2.545 -13.627 1.00 35.24 H new ATOM 0 HD11 ILE A 14 -1.537 2.132 -16.860 1.00 33.11 H new ATOM 0 HD12 ILE A 14 -0.314 2.709 -15.703 1.00 33.11 H new ATOM 0 HD13 ILE A 14 -0.456 0.971 -16.055 1.00 33.11 H new ATOM 222 N ILE A 15 -1.013 -0.793 -11.054 1.00 3.02 N ATOM 223 CA ILE A 15 -0.628 -1.202 -9.679 1.00 62.21 C ATOM 224 C ILE A 15 0.496 -2.267 -9.703 1.00 22.45 C ATOM 225 O ILE A 15 1.497 -2.144 -8.988 1.00 31.33 O ATOM 226 CB ILE A 15 -1.889 -1.753 -8.892 1.00 22.42 C ATOM 227 CG1 ILE A 15 -2.928 -0.613 -8.650 1.00 21.34 C ATOM 228 CG2 ILE A 15 -1.506 -2.442 -7.560 1.00 34.11 C ATOM 229 CD1 ILE A 15 -4.178 -1.029 -7.885 1.00 32.33 C ATOM 0 H ILE A 15 -2.009 -0.907 -11.244 1.00 3.02 H new ATOM 0 HA ILE A 15 -0.247 -0.321 -9.163 1.00 62.21 H new ATOM 0 HB ILE A 15 -2.346 -2.518 -9.520 1.00 22.42 H new ATOM 0 HG12 ILE A 15 -2.439 0.194 -8.104 1.00 21.34 H new ATOM 0 HG13 ILE A 15 -3.230 -0.207 -9.615 1.00 21.34 H new ATOM 0 HG21 ILE A 15 -2.408 -2.800 -7.063 1.00 34.11 H new ATOM 0 HG22 ILE A 15 -0.845 -3.284 -7.763 1.00 34.11 H new ATOM 0 HG23 ILE A 15 -0.995 -1.727 -6.914 1.00 34.11 H new ATOM 0 HD11 ILE A 15 -4.836 -0.168 -7.768 1.00 32.33 H new ATOM 0 HD12 ILE A 15 -4.698 -1.812 -8.437 1.00 32.33 H new ATOM 0 HD13 ILE A 15 -3.895 -1.405 -6.902 1.00 32.33 H new ATOM 241 N SER A 16 0.321 -3.274 -10.575 1.00 41.14 N ATOM 242 CA SER A 16 1.236 -4.420 -10.695 1.00 33.32 C ATOM 243 C SER A 16 2.600 -4.003 -11.304 1.00 23.12 C ATOM 244 O SER A 16 3.650 -4.529 -10.914 1.00 33.55 O ATOM 245 CB SER A 16 0.563 -5.515 -11.547 1.00 1.02 C ATOM 246 OG SER A 16 1.350 -6.687 -11.601 1.00 54.44 O ATOM 0 H SER A 16 -0.467 -3.315 -11.222 1.00 41.14 H new ATOM 0 HA SER A 16 1.442 -4.810 -9.698 1.00 33.32 H new ATOM 0 HB2 SER A 16 -0.416 -5.752 -11.130 1.00 1.02 H new ATOM 0 HB3 SER A 16 0.397 -5.141 -12.557 1.00 1.02 H new ATOM 0 HG SER A 16 0.895 -7.362 -12.147 1.00 54.44 H new ATOM 252 N SER A 17 2.562 -3.052 -12.260 1.00 54.34 N ATOM 253 CA SER A 17 3.772 -2.516 -12.913 1.00 14.23 C ATOM 254 C SER A 17 4.594 -1.630 -11.944 1.00 42.20 C ATOM 255 O SER A 17 5.811 -1.800 -11.821 1.00 4.52 O ATOM 256 CB SER A 17 3.368 -1.720 -14.166 1.00 3.21 C ATOM 257 OG SER A 17 2.610 -2.523 -15.056 1.00 72.33 O ATOM 0 H SER A 17 1.695 -2.636 -12.599 1.00 54.34 H new ATOM 0 HA SER A 17 4.407 -3.352 -13.205 1.00 14.23 H new ATOM 0 HB2 SER A 17 2.786 -0.846 -13.874 1.00 3.21 H new ATOM 0 HB3 SER A 17 4.261 -1.354 -14.672 1.00 3.21 H new ATOM 0 HG SER A 17 1.689 -2.594 -14.729 1.00 72.33 H new ATOM 263 N VAL A 18 3.892 -0.706 -11.253 1.00 70.21 N ATOM 264 CA VAL A 18 4.480 0.213 -10.249 1.00 74.53 C ATOM 265 C VAL A 18 5.078 -0.574 -9.062 1.00 61.32 C ATOM 266 O VAL A 18 6.089 -0.163 -8.472 1.00 44.14 O ATOM 267 CB VAL A 18 3.402 1.258 -9.755 1.00 54.00 C ATOM 268 CG1 VAL A 18 3.896 2.091 -8.547 1.00 75.33 C ATOM 269 CG2 VAL A 18 2.979 2.187 -10.921 1.00 74.43 C ATOM 0 H VAL A 18 2.888 -0.574 -11.377 1.00 70.21 H new ATOM 0 HA VAL A 18 5.293 0.763 -10.724 1.00 74.53 H new ATOM 0 HB VAL A 18 2.535 0.691 -9.416 1.00 54.00 H new ATOM 0 HG11 VAL A 18 3.118 2.793 -8.247 1.00 75.33 H new ATOM 0 HG12 VAL A 18 4.124 1.425 -7.715 1.00 75.33 H new ATOM 0 HG13 VAL A 18 4.794 2.642 -8.828 1.00 75.33 H new ATOM 0 HG21 VAL A 18 2.236 2.901 -10.566 1.00 74.43 H new ATOM 0 HG22 VAL A 18 3.851 2.725 -11.292 1.00 74.43 H new ATOM 0 HG23 VAL A 18 2.552 1.589 -11.726 1.00 74.43 H new ATOM 279 N GLN A 19 4.443 -1.715 -8.754 1.00 43.30 N ATOM 280 CA GLN A 19 4.918 -2.675 -7.753 1.00 41.54 C ATOM 281 C GLN A 19 6.324 -3.171 -8.114 1.00 4.01 C ATOM 282 O GLN A 19 7.246 -3.069 -7.306 1.00 53.24 O ATOM 283 CB GLN A 19 3.936 -3.868 -7.671 1.00 65.03 C ATOM 284 CG GLN A 19 4.260 -4.917 -6.587 1.00 5.03 C ATOM 285 CD GLN A 19 3.461 -6.217 -6.717 1.00 43.15 C ATOM 286 OE1 GLN A 19 3.937 -7.286 -6.328 1.00 32.33 O ATOM 287 NE2 GLN A 19 2.240 -6.148 -7.241 1.00 11.24 N ATOM 0 H GLN A 19 3.572 -1.999 -9.202 1.00 43.30 H new ATOM 0 HA GLN A 19 4.965 -2.182 -6.782 1.00 41.54 H new ATOM 0 HB2 GLN A 19 2.934 -3.480 -7.489 1.00 65.03 H new ATOM 0 HB3 GLN A 19 3.914 -4.366 -8.640 1.00 65.03 H new ATOM 0 HG2 GLN A 19 5.324 -5.151 -6.629 1.00 5.03 H new ATOM 0 HG3 GLN A 19 4.068 -4.482 -5.606 1.00 5.03 H new ATOM 0 HE21 GLN A 19 1.870 -5.251 -7.555 1.00 11.24 H new ATOM 0 HE22 GLN A 19 1.674 -6.992 -7.329 1.00 11.24 H new ATOM 296 N GLU A 20 6.467 -3.674 -9.355 1.00 2.42 N ATOM 297 CA GLU A 20 7.740 -4.209 -9.875 1.00 31.31 C ATOM 298 C GLU A 20 8.822 -3.119 -10.008 1.00 34.15 C ATOM 299 O GLU A 20 10.008 -3.416 -9.871 1.00 32.54 O ATOM 300 CB GLU A 20 7.507 -4.920 -11.232 1.00 24.24 C ATOM 301 CG GLU A 20 6.756 -6.263 -11.123 1.00 23.33 C ATOM 302 CD GLU A 20 7.532 -7.330 -10.318 1.00 61.12 C ATOM 303 OE1 GLU A 20 8.484 -7.927 -10.870 1.00 42.03 O ATOM 304 OE2 GLU A 20 7.209 -7.563 -9.132 1.00 31.13 O ATOM 0 H GLU A 20 5.701 -3.721 -10.027 1.00 2.42 H new ATOM 0 HA GLU A 20 8.110 -4.935 -9.151 1.00 31.31 H new ATOM 0 HB2 GLU A 20 6.944 -4.254 -11.886 1.00 24.24 H new ATOM 0 HB3 GLU A 20 8.472 -5.094 -11.708 1.00 24.24 H new ATOM 0 HG2 GLU A 20 5.788 -6.094 -10.651 1.00 23.33 H new ATOM 0 HG3 GLU A 20 6.560 -6.645 -12.125 1.00 23.33 H new ATOM 311 N ARG A 21 8.396 -1.866 -10.275 1.00 72.41 N ATOM 312 CA ARG A 21 9.297 -0.691 -10.345 1.00 22.35 C ATOM 313 C ARG A 21 9.895 -0.374 -8.963 1.00 61.04 C ATOM 314 O ARG A 21 11.091 -0.103 -8.829 1.00 44.41 O ATOM 315 CB ARG A 21 8.519 0.552 -10.852 1.00 4.32 C ATOM 316 CG ARG A 21 8.033 0.489 -12.319 1.00 53.14 C ATOM 317 CD ARG A 21 7.147 1.697 -12.660 1.00 32.25 C ATOM 318 NE ARG A 21 6.796 1.799 -14.081 1.00 73.10 N ATOM 319 CZ ARG A 21 6.387 2.931 -14.683 1.00 2.34 C ATOM 320 NH1 ARG A 21 6.264 4.066 -13.992 1.00 24.14 N ATOM 321 NH2 ARG A 21 6.125 2.928 -15.982 1.00 52.52 N ATOM 0 H ARG A 21 7.417 -1.638 -10.449 1.00 72.41 H new ATOM 0 HA ARG A 21 10.104 -0.931 -11.037 1.00 22.35 H new ATOM 0 HB2 ARG A 21 7.653 0.702 -10.208 1.00 4.32 H new ATOM 0 HB3 ARG A 21 9.157 1.428 -10.738 1.00 4.32 H new ATOM 0 HG2 ARG A 21 8.892 0.463 -12.989 1.00 53.14 H new ATOM 0 HG3 ARG A 21 7.475 -0.433 -12.481 1.00 53.14 H new ATOM 0 HD2 ARG A 21 6.230 1.639 -12.073 1.00 32.25 H new ATOM 0 HD3 ARG A 21 7.662 2.609 -12.357 1.00 32.25 H new ATOM 0 HE ARG A 21 6.867 0.956 -14.651 1.00 73.10 H new ATOM 0 HH11 ARG A 21 6.481 4.082 -12.995 1.00 24.14 H new ATOM 0 HH12 ARG A 21 5.953 4.917 -14.460 1.00 24.14 H new ATOM 0 HH21 ARG A 21 6.234 2.070 -16.522 1.00 52.52 H new ATOM 0 HH22 ARG A 21 5.815 3.784 -16.442 1.00 52.52 H new ATOM 335 N ALA A 22 9.021 -0.404 -7.945 1.00 64.00 N ATOM 336 CA ALA A 22 9.377 -0.098 -6.551 1.00 25.51 C ATOM 337 C ALA A 22 10.243 -1.210 -5.942 1.00 43.13 C ATOM 338 O ALA A 22 11.112 -0.939 -5.118 1.00 74.30 O ATOM 339 CB ALA A 22 8.102 0.110 -5.738 1.00 43.54 C ATOM 0 H ALA A 22 8.037 -0.644 -8.068 1.00 64.00 H new ATOM 0 HA ALA A 22 9.968 0.818 -6.530 1.00 25.51 H new ATOM 0 HB1 ALA A 22 8.363 0.337 -4.704 1.00 43.54 H new ATOM 0 HB2 ALA A 22 7.533 0.939 -6.159 1.00 43.54 H new ATOM 0 HB3 ALA A 22 7.499 -0.797 -5.769 1.00 43.54 H new ATOM 345 N LYS A 23 9.982 -2.459 -6.369 1.00 34.32 N ATOM 346 CA LYS A 23 10.772 -3.643 -5.976 1.00 30.32 C ATOM 347 C LYS A 23 12.123 -3.673 -6.725 1.00 40.30 C ATOM 348 O LYS A 23 13.105 -4.236 -6.226 1.00 74.22 O ATOM 349 CB LYS A 23 9.960 -4.936 -6.259 1.00 62.31 C ATOM 350 CG LYS A 23 8.748 -5.140 -5.323 1.00 62.44 C ATOM 351 CD LYS A 23 7.789 -6.285 -5.751 1.00 35.23 C ATOM 352 CE LYS A 23 8.439 -7.686 -5.806 1.00 63.42 C ATOM 353 NZ LYS A 23 9.272 -7.900 -7.028 1.00 0.21 N ATOM 0 H LYS A 23 9.212 -2.678 -7.001 1.00 34.32 H new ATOM 0 HA LYS A 23 10.982 -3.585 -4.908 1.00 30.32 H new ATOM 0 HB2 LYS A 23 9.608 -4.912 -7.290 1.00 62.31 H new ATOM 0 HB3 LYS A 23 10.624 -5.796 -6.168 1.00 62.31 H new ATOM 0 HG2 LYS A 23 9.113 -5.346 -4.317 1.00 62.44 H new ATOM 0 HG3 LYS A 23 8.183 -4.209 -5.273 1.00 62.44 H new ATOM 0 HD2 LYS A 23 6.950 -6.316 -5.056 1.00 35.23 H new ATOM 0 HD3 LYS A 23 7.381 -6.050 -6.734 1.00 35.23 H new ATOM 0 HE2 LYS A 23 9.060 -7.826 -4.921 1.00 63.42 H new ATOM 0 HE3 LYS A 23 7.657 -8.444 -5.770 1.00 63.42 H new ATOM 0 HZ1 LYS A 23 9.087 -8.848 -7.413 1.00 0.21 H new ATOM 0 HZ2 LYS A 23 9.031 -7.184 -7.742 1.00 0.21 H new ATOM 0 HZ3 LYS A 23 10.279 -7.817 -6.781 1.00 0.21 H new ATOM 367 N HIS A 24 12.147 -3.099 -7.940 1.00 23.25 N ATOM 368 CA HIS A 24 13.373 -2.906 -8.740 1.00 2.54 C ATOM 369 C HIS A 24 14.345 -1.917 -8.065 1.00 73.21 C ATOM 370 O HIS A 24 15.564 -2.028 -8.230 1.00 51.43 O ATOM 371 CB HIS A 24 12.959 -2.411 -10.152 1.00 24.52 C ATOM 372 CG HIS A 24 14.078 -2.118 -11.107 1.00 34.21 C ATOM 373 ND1 HIS A 24 14.403 -0.841 -11.504 1.00 22.04 N ATOM 374 CD2 HIS A 24 14.908 -2.943 -11.787 1.00 2.52 C ATOM 375 CE1 HIS A 24 15.375 -0.891 -12.381 1.00 22.12 C ATOM 376 NE2 HIS A 24 15.704 -2.151 -12.571 1.00 74.22 N ATOM 0 H HIS A 24 11.306 -2.751 -8.401 1.00 23.25 H new ATOM 0 HA HIS A 24 13.906 -3.853 -8.820 1.00 2.54 H new ATOM 0 HB2 HIS A 24 12.313 -3.164 -10.603 1.00 24.52 H new ATOM 0 HB3 HIS A 24 12.362 -1.506 -10.036 1.00 24.52 H new ATOM 0 HD2 HIS A 24 14.937 -4.021 -11.723 1.00 2.52 H new ATOM 0 HE1 HIS A 24 15.830 -0.041 -12.867 1.00 22.12 H new ATOM 0 HE2 HIS A 24 16.434 -2.484 -13.201 1.00 74.22 H new ATOM 385 N ASN A 25 13.788 -0.953 -7.308 1.00 51.11 N ATOM 386 CA ASN A 25 14.571 0.117 -6.649 1.00 74.14 C ATOM 387 C ASN A 25 14.832 -0.208 -5.162 1.00 74.04 C ATOM 388 O ASN A 25 15.886 0.144 -4.622 1.00 70.45 O ATOM 389 CB ASN A 25 13.832 1.479 -6.781 1.00 24.43 C ATOM 390 CG ASN A 25 13.543 1.874 -8.237 1.00 2.41 C ATOM 391 OD1 ASN A 25 14.293 1.535 -9.159 1.00 15.11 O ATOM 392 ND2 ASN A 25 12.450 2.591 -8.455 1.00 65.14 N ATOM 0 H ASN A 25 12.785 -0.891 -7.134 1.00 51.11 H new ATOM 0 HA ASN A 25 15.537 0.183 -7.150 1.00 74.14 H new ATOM 0 HB2 ASN A 25 12.892 1.429 -6.232 1.00 24.43 H new ATOM 0 HB3 ASN A 25 14.434 2.258 -6.313 1.00 24.43 H new ATOM 0 HD21 ASN A 25 12.209 2.878 -9.404 1.00 65.14 H new ATOM 0 HD22 ASN A 25 11.850 2.856 -7.674 1.00 65.14 H new ATOM 399 N TYR A 26 13.870 -0.888 -4.512 1.00 71.15 N ATOM 400 CA TYR A 26 13.906 -1.174 -3.053 1.00 32.22 C ATOM 401 C TYR A 26 13.790 -2.677 -2.777 1.00 62.52 C ATOM 402 O TYR A 26 13.291 -3.421 -3.622 1.00 61.53 O ATOM 403 CB TYR A 26 12.738 -0.458 -2.331 1.00 34.00 C ATOM 404 CG TYR A 26 12.786 1.061 -2.407 1.00 42.22 C ATOM 405 CD1 TYR A 26 13.675 1.783 -1.611 1.00 61.43 C ATOM 406 CD2 TYR A 26 11.942 1.771 -3.259 1.00 13.53 C ATOM 407 CE1 TYR A 26 13.719 3.156 -1.662 1.00 35.11 C ATOM 408 CE2 TYR A 26 11.984 3.143 -3.314 1.00 72.52 C ATOM 409 CZ TYR A 26 12.877 3.835 -2.512 1.00 53.45 C ATOM 410 OH TYR A 26 12.923 5.211 -2.547 1.00 61.51 O ATOM 0 H TYR A 26 13.042 -1.258 -4.978 1.00 71.15 H new ATOM 0 HA TYR A 26 14.862 -0.809 -2.678 1.00 32.22 H new ATOM 0 HB2 TYR A 26 11.797 -0.801 -2.761 1.00 34.00 H new ATOM 0 HB3 TYR A 26 12.738 -0.757 -1.283 1.00 34.00 H new ATOM 0 HD1 TYR A 26 14.340 1.255 -0.944 1.00 61.43 H new ATOM 0 HD2 TYR A 26 11.245 1.235 -3.885 1.00 13.53 H new ATOM 0 HE1 TYR A 26 14.412 3.700 -1.037 1.00 35.11 H new ATOM 0 HE2 TYR A 26 11.324 3.680 -3.979 1.00 72.52 H new ATOM 0 HH TYR A 26 12.081 5.575 -2.202 1.00 61.51 H new ATOM 420 N PRO A 27 14.245 -3.151 -1.570 1.00 30.30 N ATOM 421 CA PRO A 27 13.903 -4.503 -1.069 1.00 11.54 C ATOM 422 C PRO A 27 12.375 -4.686 -0.891 1.00 52.13 C ATOM 423 O PRO A 27 11.649 -3.725 -0.575 1.00 10.22 O ATOM 424 CB PRO A 27 14.646 -4.582 0.299 1.00 52.54 C ATOM 425 CG PRO A 27 14.920 -3.154 0.676 1.00 23.14 C ATOM 426 CD PRO A 27 15.172 -2.444 -0.634 1.00 71.42 C ATOM 0 HA PRO A 27 14.198 -5.291 -1.762 1.00 11.54 H new ATOM 0 HB2 PRO A 27 14.034 -5.079 1.052 1.00 52.54 H new ATOM 0 HB3 PRO A 27 15.571 -5.152 0.213 1.00 52.54 H new ATOM 0 HG2 PRO A 27 14.074 -2.716 1.205 1.00 23.14 H new ATOM 0 HG3 PRO A 27 15.783 -3.079 1.338 1.00 23.14 H new ATOM 0 HD2 PRO A 27 14.948 -1.379 -0.568 1.00 71.42 H new ATOM 0 HD3 PRO A 27 16.212 -2.532 -0.949 1.00 71.42 H new ATOM 434 N GLY A 28 11.908 -5.941 -1.041 1.00 31.41 N ATOM 435 CA GLY A 28 10.480 -6.281 -0.939 1.00 53.14 C ATOM 436 C GLY A 28 9.981 -6.427 0.501 1.00 25.31 C ATOM 437 O GLY A 28 9.052 -7.203 0.764 1.00 62.35 O ATOM 0 H GLY A 28 12.509 -6.742 -1.235 1.00 31.41 H new ATOM 0 HA2 GLY A 28 9.896 -5.509 -1.440 1.00 53.14 H new ATOM 0 HA3 GLY A 28 10.299 -7.214 -1.473 1.00 53.14 H new ATOM 441 N ARG A 29 10.614 -5.694 1.437 1.00 21.34 N ATOM 442 CA ARG A 29 10.164 -5.598 2.833 1.00 41.43 C ATOM 443 C ARG A 29 9.179 -4.426 2.951 1.00 25.03 C ATOM 444 O ARG A 29 8.120 -4.541 3.568 1.00 2.53 O ATOM 445 CB ARG A 29 11.382 -5.371 3.773 1.00 13.13 C ATOM 446 CG ARG A 29 12.508 -6.418 3.630 1.00 35.32 C ATOM 447 CD ARG A 29 13.688 -6.165 4.588 1.00 33.34 C ATOM 448 NE ARG A 29 14.788 -7.130 4.392 1.00 51.03 N ATOM 449 CZ ARG A 29 15.515 -7.694 5.374 1.00 23.42 C ATOM 450 NH1 ARG A 29 15.276 -7.416 6.653 1.00 2.14 N ATOM 451 NH2 ARG A 29 16.486 -8.543 5.067 1.00 20.43 N ATOM 0 H ARG A 29 11.455 -5.151 1.242 1.00 21.34 H new ATOM 0 HA ARG A 29 9.672 -6.525 3.128 1.00 41.43 H new ATOM 0 HB2 ARG A 29 11.796 -4.382 3.577 1.00 13.13 H new ATOM 0 HB3 ARG A 29 11.033 -5.371 4.805 1.00 13.13 H new ATOM 0 HG2 ARG A 29 12.100 -7.411 3.819 1.00 35.32 H new ATOM 0 HG3 ARG A 29 12.873 -6.413 2.603 1.00 35.32 H new ATOM 0 HD2 ARG A 29 14.065 -5.153 4.437 1.00 33.34 H new ATOM 0 HD3 ARG A 29 13.336 -6.224 5.618 1.00 33.34 H new ATOM 0 HE ARG A 29 15.016 -7.391 3.433 1.00 51.03 H new ATOM 0 HH11 ARG A 29 14.531 -6.766 6.903 1.00 2.14 H new ATOM 0 HH12 ARG A 29 15.838 -7.853 7.384 1.00 2.14 H new ATOM 0 HH21 ARG A 29 16.679 -8.766 4.090 1.00 20.43 H new ATOM 0 HH22 ARG A 29 17.040 -8.973 5.807 1.00 20.43 H new ATOM 465 N TYR A 30 9.569 -3.297 2.324 1.00 23.35 N ATOM 466 CA TYR A 30 8.782 -2.053 2.294 1.00 11.13 C ATOM 467 C TYR A 30 7.573 -2.180 1.352 1.00 13.00 C ATOM 468 O TYR A 30 6.542 -1.541 1.568 1.00 70.32 O ATOM 469 CB TYR A 30 9.685 -0.875 1.850 1.00 11.13 C ATOM 470 CG TYR A 30 10.788 -0.508 2.860 1.00 35.14 C ATOM 471 CD1 TYR A 30 10.478 0.209 4.016 1.00 4.35 C ATOM 472 CD2 TYR A 30 12.124 -0.871 2.663 1.00 5.54 C ATOM 473 CE1 TYR A 30 11.442 0.552 4.940 1.00 30.04 C ATOM 474 CE2 TYR A 30 13.098 -0.529 3.587 1.00 70.44 C ATOM 475 CZ TYR A 30 12.752 0.182 4.724 1.00 20.21 C ATOM 476 OH TYR A 30 13.722 0.511 5.652 1.00 45.20 O ATOM 0 H TYR A 30 10.452 -3.226 1.818 1.00 23.35 H new ATOM 0 HA TYR A 30 8.403 -1.862 3.298 1.00 11.13 H new ATOM 0 HB2 TYR A 30 10.150 -1.128 0.897 1.00 11.13 H new ATOM 0 HB3 TYR A 30 9.060 0.001 1.677 1.00 11.13 H new ATOM 0 HD1 TYR A 30 9.454 0.504 4.192 1.00 4.35 H new ATOM 0 HD2 TYR A 30 12.400 -1.426 1.778 1.00 5.54 H new ATOM 0 HE1 TYR A 30 11.173 1.107 5.827 1.00 30.04 H new ATOM 0 HE2 TYR A 30 14.126 -0.816 3.421 1.00 70.44 H new ATOM 0 HH TYR A 30 14.592 0.176 5.349 1.00 45.20 H new ATOM 486 N ILE A 31 7.722 -3.009 0.308 1.00 73.32 N ATOM 487 CA ILE A 31 6.674 -3.242 -0.696 1.00 31.12 C ATOM 488 C ILE A 31 5.994 -4.595 -0.406 1.00 74.34 C ATOM 489 O ILE A 31 6.664 -5.631 -0.313 1.00 53.24 O ATOM 490 CB ILE A 31 7.234 -3.223 -2.182 1.00 60.44 C ATOM 491 CG1 ILE A 31 7.773 -1.808 -2.605 1.00 42.35 C ATOM 492 CG2 ILE A 31 6.158 -3.703 -3.194 1.00 4.23 C ATOM 493 CD1 ILE A 31 9.071 -1.366 -1.951 1.00 33.22 C ATOM 0 H ILE A 31 8.577 -3.539 0.136 1.00 73.32 H new ATOM 0 HA ILE A 31 5.954 -2.427 -0.622 1.00 31.12 H new ATOM 0 HB ILE A 31 8.075 -3.916 -2.200 1.00 60.44 H new ATOM 0 HG12 ILE A 31 7.914 -1.803 -3.686 1.00 42.35 H new ATOM 0 HG13 ILE A 31 7.006 -1.067 -2.381 1.00 42.35 H new ATOM 0 HG21 ILE A 31 6.571 -3.679 -4.203 1.00 4.23 H new ATOM 0 HG22 ILE A 31 5.857 -4.722 -2.949 1.00 4.23 H new ATOM 0 HG23 ILE A 31 5.290 -3.046 -3.141 1.00 4.23 H new ATOM 0 HD11 ILE A 31 9.345 -0.377 -2.318 1.00 33.22 H new ATOM 0 HD12 ILE A 31 8.939 -1.328 -0.870 1.00 33.22 H new ATOM 0 HD13 ILE A 31 9.862 -2.076 -2.195 1.00 33.22 H new ATOM 505 N ARG A 32 4.665 -4.551 -0.240 1.00 52.34 N ATOM 506 CA ARG A 32 3.807 -5.729 -0.054 1.00 54.23 C ATOM 507 C ARG A 32 2.468 -5.482 -0.764 1.00 55.31 C ATOM 508 O ARG A 32 2.102 -4.335 -1.024 1.00 35.13 O ATOM 509 CB ARG A 32 3.600 -5.994 1.468 1.00 51.23 C ATOM 510 CG ARG A 32 2.769 -7.257 1.803 1.00 44.42 C ATOM 511 CD ARG A 32 2.767 -7.622 3.296 1.00 1.53 C ATOM 512 NE ARG A 32 1.833 -8.732 3.575 1.00 51.45 N ATOM 513 CZ ARG A 32 1.747 -9.414 4.732 1.00 50.13 C ATOM 514 NH1 ARG A 32 2.551 -9.144 5.761 1.00 54.55 N ATOM 515 NH2 ARG A 32 0.797 -10.318 4.878 1.00 63.14 N ATOM 0 H ARG A 32 4.144 -3.674 -0.231 1.00 52.34 H new ATOM 0 HA ARG A 32 4.276 -6.613 -0.486 1.00 54.23 H new ATOM 0 HB2 ARG A 32 4.577 -6.083 1.943 1.00 51.23 H new ATOM 0 HB3 ARG A 32 3.109 -5.127 1.910 1.00 51.23 H new ATOM 0 HG2 ARG A 32 1.741 -7.101 1.476 1.00 44.42 H new ATOM 0 HG3 ARG A 32 3.161 -8.100 1.233 1.00 44.42 H new ATOM 0 HD2 ARG A 32 3.773 -7.904 3.605 1.00 1.53 H new ATOM 0 HD3 ARG A 32 2.485 -6.750 3.886 1.00 1.53 H new ATOM 0 HE ARG A 32 1.198 -9.005 2.825 1.00 51.45 H new ATOM 0 HH11 ARG A 32 3.251 -8.406 5.681 1.00 54.55 H new ATOM 0 HH12 ARG A 32 2.466 -9.675 6.628 1.00 54.55 H new ATOM 0 HH21 ARG A 32 0.139 -10.493 4.119 1.00 63.14 H new ATOM 0 HH22 ARG A 32 0.721 -10.842 5.750 1.00 63.14 H new ATOM 529 N THR A 33 1.750 -6.557 -1.110 1.00 74.41 N ATOM 530 CA THR A 33 0.411 -6.474 -1.710 1.00 2.42 C ATOM 531 C THR A 33 -0.656 -6.982 -0.737 1.00 42.34 C ATOM 532 O THR A 33 -0.360 -7.747 0.188 1.00 41.41 O ATOM 533 CB THR A 33 0.328 -7.293 -3.036 1.00 35.12 C ATOM 534 OG1 THR A 33 0.712 -8.656 -2.790 1.00 51.50 O ATOM 535 CG2 THR A 33 1.220 -6.693 -4.127 1.00 50.34 C ATOM 0 H THR A 33 2.082 -7.513 -0.982 1.00 74.41 H new ATOM 0 HA THR A 33 0.226 -5.423 -1.934 1.00 2.42 H new ATOM 0 HB THR A 33 -0.703 -7.257 -3.388 1.00 35.12 H new ATOM 0 HG1 THR A 33 0.657 -9.167 -3.624 1.00 51.50 H new ATOM 0 HG21 THR A 33 1.136 -7.290 -5.035 1.00 50.34 H new ATOM 0 HG22 THR A 33 0.904 -5.671 -4.334 1.00 50.34 H new ATOM 0 HG23 THR A 33 2.256 -6.691 -3.789 1.00 50.34 H new ATOM 543 N ALA A 34 -1.878 -6.479 -0.925 1.00 41.40 N ATOM 544 CA ALA A 34 -3.085 -7.024 -0.319 1.00 40.14 C ATOM 545 C ALA A 34 -3.894 -7.757 -1.397 1.00 71.41 C ATOM 546 O ALA A 34 -4.422 -7.115 -2.315 1.00 63.22 O ATOM 547 CB ALA A 34 -3.897 -5.883 0.287 1.00 34.24 C ATOM 0 H ALA A 34 -2.055 -5.666 -1.515 1.00 41.40 H new ATOM 0 HA ALA A 34 -2.832 -7.730 0.472 1.00 40.14 H new ATOM 0 HB1 ALA A 34 -4.803 -6.283 0.743 1.00 34.24 H new ATOM 0 HB2 ALA A 34 -3.302 -5.376 1.047 1.00 34.24 H new ATOM 0 HB3 ALA A 34 -4.167 -5.173 -0.495 1.00 34.24 H new ATOM 553 N THR A 35 -3.948 -9.097 -1.319 1.00 11.14 N ATOM 554 CA THR A 35 -4.729 -9.916 -2.270 1.00 3.42 C ATOM 555 C THR A 35 -6.115 -10.280 -1.697 1.00 3.34 C ATOM 556 O THR A 35 -7.055 -10.506 -2.455 1.00 21.10 O ATOM 557 CB THR A 35 -3.962 -11.214 -2.704 1.00 62.22 C ATOM 558 OG1 THR A 35 -4.669 -11.884 -3.771 1.00 32.51 O ATOM 559 CG2 THR A 35 -3.756 -12.197 -1.538 1.00 53.54 C ATOM 0 H THR A 35 -3.460 -9.640 -0.607 1.00 11.14 H new ATOM 0 HA THR A 35 -4.873 -9.302 -3.159 1.00 3.42 H new ATOM 0 HB THR A 35 -2.979 -10.894 -3.048 1.00 62.22 H new ATOM 0 HG1 THR A 35 -4.178 -12.691 -4.032 1.00 32.51 H new ATOM 0 HG21 THR A 35 -3.220 -13.077 -1.894 1.00 53.54 H new ATOM 0 HG22 THR A 35 -3.176 -11.713 -0.752 1.00 53.54 H new ATOM 0 HG23 THR A 35 -4.725 -12.498 -1.141 1.00 53.54 H new ATOM 567 N SER A 36 -6.226 -10.348 -0.364 1.00 20.33 N ATOM 568 CA SER A 36 -7.479 -10.704 0.340 1.00 20.11 C ATOM 569 C SER A 36 -7.467 -10.073 1.742 1.00 40.04 C ATOM 570 O SER A 36 -6.434 -9.550 2.176 1.00 52.05 O ATOM 571 CB SER A 36 -7.620 -12.250 0.442 1.00 61.10 C ATOM 572 OG SER A 36 -7.656 -12.875 -0.835 1.00 33.41 O ATOM 0 H SER A 36 -5.447 -10.157 0.267 1.00 20.33 H new ATOM 0 HA SER A 36 -8.332 -10.321 -0.221 1.00 20.11 H new ATOM 0 HB2 SER A 36 -6.785 -12.651 1.017 1.00 61.10 H new ATOM 0 HB3 SER A 36 -8.531 -12.494 0.989 1.00 61.10 H new ATOM 0 HG SER A 36 -7.744 -13.845 -0.722 1.00 33.41 H new ATOM 578 N SER A 37 -8.606 -10.160 2.458 1.00 65.24 N ATOM 579 CA SER A 37 -8.738 -9.634 3.833 1.00 15.12 C ATOM 580 C SER A 37 -7.846 -10.417 4.822 1.00 31.33 C ATOM 581 O SER A 37 -7.379 -9.858 5.822 1.00 21.24 O ATOM 582 CB SER A 37 -10.215 -9.685 4.266 1.00 14.20 C ATOM 583 OG SER A 37 -10.712 -11.012 4.227 1.00 31.15 O ATOM 0 H SER A 37 -9.457 -10.595 2.102 1.00 65.24 H new ATOM 0 HA SER A 37 -8.400 -8.598 3.843 1.00 15.12 H new ATOM 0 HB2 SER A 37 -10.316 -9.285 5.275 1.00 14.20 H new ATOM 0 HB3 SER A 37 -10.812 -9.050 3.611 1.00 14.20 H new ATOM 0 HG SER A 37 -11.651 -11.018 4.508 1.00 31.15 H new ATOM 589 N GLN A 38 -7.610 -11.712 4.498 1.00 40.04 N ATOM 590 CA GLN A 38 -6.677 -12.585 5.236 1.00 33.53 C ATOM 591 C GLN A 38 -5.254 -11.974 5.223 1.00 55.14 C ATOM 592 O GLN A 38 -4.601 -11.868 6.269 1.00 11.21 O ATOM 593 CB GLN A 38 -6.625 -14.001 4.588 1.00 12.12 C ATOM 594 CG GLN A 38 -7.970 -14.751 4.459 1.00 2.45 C ATOM 595 CD GLN A 38 -8.610 -15.143 5.794 1.00 25.50 C ATOM 596 OE1 GLN A 38 -9.531 -14.339 6.276 1.00 75.25 O flip ATOM 597 NE2 GLN A 38 -8.307 -16.193 6.360 1.00 5.33 N flip ATOM 0 H GLN A 38 -8.066 -12.178 3.713 1.00 40.04 H new ATOM 0 HA GLN A 38 -7.032 -12.671 6.263 1.00 33.53 H new ATOM 0 HB2 GLN A 38 -6.191 -13.905 3.593 1.00 12.12 H new ATOM 0 HB3 GLN A 38 -5.945 -14.619 5.174 1.00 12.12 H new ATOM 0 HG2 GLN A 38 -8.669 -14.124 3.906 1.00 2.45 H new ATOM 0 HG3 GLN A 38 -7.813 -15.653 3.867 1.00 2.45 H new ATOM 0 HE21 GLN A 38 -7.588 -16.798 5.962 1.00 5.33 H new ATOM 0 HE22 GLN A 38 -8.775 -16.459 7.227 1.00 5.33 H new ATOM 606 N ASP A 39 -4.810 -11.573 4.004 1.00 74.14 N ATOM 607 CA ASP A 39 -3.495 -10.942 3.754 1.00 52.32 C ATOM 608 C ASP A 39 -3.382 -9.623 4.536 1.00 5.10 C ATOM 609 O ASP A 39 -2.428 -9.423 5.283 1.00 20.10 O ATOM 610 CB ASP A 39 -3.326 -10.668 2.217 1.00 23.23 C ATOM 611 CG ASP A 39 -1.889 -10.357 1.729 1.00 13.52 C ATOM 612 OD1 ASP A 39 -0.965 -10.149 2.547 1.00 73.31 O ATOM 613 OD2 ASP A 39 -1.680 -10.333 0.500 1.00 64.31 O ATOM 0 H ASP A 39 -5.367 -11.682 3.156 1.00 74.14 H new ATOM 0 HA ASP A 39 -2.707 -11.617 4.089 1.00 52.32 H new ATOM 0 HB2 ASP A 39 -3.691 -11.538 1.672 1.00 23.23 H new ATOM 0 HB3 ASP A 39 -3.968 -9.830 1.946 1.00 23.23 H new ATOM 618 N ILE A 40 -4.412 -8.765 4.358 1.00 44.14 N ATOM 619 CA ILE A 40 -4.485 -7.400 4.915 1.00 24.53 C ATOM 620 C ILE A 40 -4.262 -7.368 6.430 1.00 43.42 C ATOM 621 O ILE A 40 -3.371 -6.655 6.921 1.00 43.30 O ATOM 622 CB ILE A 40 -5.863 -6.720 4.557 1.00 71.33 C ATOM 623 CG1 ILE A 40 -5.924 -6.435 3.027 1.00 63.52 C ATOM 624 CG2 ILE A 40 -6.119 -5.440 5.384 1.00 73.22 C ATOM 625 CD1 ILE A 40 -7.138 -5.679 2.536 1.00 55.40 C ATOM 0 H ILE A 40 -5.235 -9.012 3.809 1.00 44.14 H new ATOM 0 HA ILE A 40 -3.674 -6.835 4.455 1.00 24.53 H new ATOM 0 HB ILE A 40 -6.662 -7.413 4.820 1.00 71.33 H new ATOM 0 HG12 ILE A 40 -5.034 -5.872 2.748 1.00 63.52 H new ATOM 0 HG13 ILE A 40 -5.877 -7.387 2.499 1.00 63.52 H new ATOM 0 HG21 ILE A 40 -7.080 -5.010 5.101 1.00 73.22 H new ATOM 0 HG22 ILE A 40 -6.132 -5.689 6.445 1.00 73.22 H new ATOM 0 HG23 ILE A 40 -5.326 -4.717 5.190 1.00 73.22 H new ATOM 0 HD11 ILE A 40 -7.069 -5.541 1.457 1.00 55.40 H new ATOM 0 HD12 ILE A 40 -8.039 -6.245 2.772 1.00 55.40 H new ATOM 0 HD13 ILE A 40 -7.183 -4.706 3.025 1.00 55.40 H new ATOM 637 N ARG A 41 -5.063 -8.148 7.165 1.00 63.12 N ATOM 638 CA ARG A 41 -4.985 -8.177 8.630 1.00 23.32 C ATOM 639 C ARG A 41 -3.611 -8.692 9.096 1.00 25.34 C ATOM 640 O ARG A 41 -3.091 -8.225 10.108 1.00 2.14 O ATOM 641 CB ARG A 41 -6.147 -9.003 9.224 1.00 62.23 C ATOM 642 CG ARG A 41 -7.536 -8.398 8.917 1.00 60.12 C ATOM 643 CD ARG A 41 -8.687 -9.138 9.613 1.00 13.34 C ATOM 644 NE ARG A 41 -8.803 -10.541 9.185 1.00 33.23 N ATOM 645 CZ ARG A 41 -9.732 -11.028 8.346 1.00 75.14 C ATOM 646 NH1 ARG A 41 -10.655 -10.243 7.797 1.00 10.00 N ATOM 647 NH2 ARG A 41 -9.732 -12.310 8.071 1.00 71.40 N ATOM 0 H ARG A 41 -5.771 -8.767 6.770 1.00 63.12 H new ATOM 0 HA ARG A 41 -5.089 -7.158 9.003 1.00 23.32 H new ATOM 0 HB2 ARG A 41 -6.103 -10.018 8.829 1.00 62.23 H new ATOM 0 HB3 ARG A 41 -6.019 -9.076 10.304 1.00 62.23 H new ATOM 0 HG2 ARG A 41 -7.546 -7.353 9.226 1.00 60.12 H new ATOM 0 HG3 ARG A 41 -7.702 -8.414 7.840 1.00 60.12 H new ATOM 0 HD2 ARG A 41 -8.536 -9.103 10.692 1.00 13.34 H new ATOM 0 HD3 ARG A 41 -9.624 -8.621 9.406 1.00 13.34 H new ATOM 0 HE ARG A 41 -8.119 -11.200 9.557 1.00 33.23 H new ATOM 0 HH11 ARG A 41 -10.668 -9.246 8.010 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.349 -10.638 7.163 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -9.033 -12.922 8.492 1.00 71.40 H new ATOM 0 HH22 ARG A 41 -10.431 -12.695 7.436 1.00 71.40 H new ATOM 661 N ASP A 42 -3.003 -9.598 8.295 1.00 53.40 N ATOM 662 CA ASP A 42 -1.649 -10.125 8.551 1.00 71.25 C ATOM 663 C ASP A 42 -0.568 -9.045 8.290 1.00 50.50 C ATOM 664 O ASP A 42 0.493 -9.065 8.934 1.00 70.21 O ATOM 665 CB ASP A 42 -1.373 -11.400 7.711 1.00 22.12 C ATOM 666 CG ASP A 42 -0.023 -12.051 8.069 1.00 42.11 C ATOM 667 OD1 ASP A 42 0.055 -12.729 9.113 1.00 53.02 O ATOM 668 OD2 ASP A 42 0.962 -11.885 7.321 1.00 33.44 O ATOM 0 H ASP A 42 -3.439 -9.981 7.456 1.00 53.40 H new ATOM 0 HA ASP A 42 -1.598 -10.402 9.604 1.00 71.25 H new ATOM 0 HB2 ASP A 42 -2.176 -12.120 7.872 1.00 22.12 H new ATOM 0 HB3 ASP A 42 -1.382 -11.144 6.651 1.00 22.12 H new ATOM 673 N ILE A 43 -0.843 -8.103 7.351 1.00 4.55 N ATOM 674 CA ILE A 43 0.060 -6.964 7.067 1.00 74.31 C ATOM 675 C ILE A 43 0.251 -6.116 8.339 1.00 54.42 C ATOM 676 O ILE A 43 1.379 -5.860 8.762 1.00 74.21 O ATOM 677 CB ILE A 43 -0.481 -6.047 5.892 1.00 75.04 C ATOM 678 CG1 ILE A 43 -0.683 -6.873 4.577 1.00 72.45 C ATOM 679 CG2 ILE A 43 0.445 -4.832 5.660 1.00 75.34 C ATOM 680 CD1 ILE A 43 -1.158 -6.092 3.366 1.00 24.21 C ATOM 0 H ILE A 43 -1.687 -8.113 6.778 1.00 4.55 H new ATOM 0 HA ILE A 43 1.016 -7.380 6.748 1.00 74.31 H new ATOM 0 HB ILE A 43 -1.456 -5.663 6.191 1.00 75.04 H new ATOM 0 HG12 ILE A 43 0.262 -7.355 4.326 1.00 72.45 H new ATOM 0 HG13 ILE A 43 -1.402 -7.667 4.777 1.00 72.45 H new ATOM 0 HG21 ILE A 43 0.048 -4.222 4.849 1.00 75.34 H new ATOM 0 HG22 ILE A 43 0.497 -4.235 6.571 1.00 75.34 H new ATOM 0 HG23 ILE A 43 1.444 -5.181 5.397 1.00 75.34 H new ATOM 0 HD11 ILE A 43 -1.262 -6.766 2.516 1.00 24.21 H new ATOM 0 HD12 ILE A 43 -2.122 -5.632 3.585 1.00 24.21 H new ATOM 0 HD13 ILE A 43 -0.432 -5.315 3.126 1.00 24.21 H new ATOM 692 N ILE A 44 -0.883 -5.752 8.957 1.00 71.21 N ATOM 693 CA ILE A 44 -0.934 -4.916 10.171 1.00 51.00 C ATOM 694 C ILE A 44 -0.385 -5.687 11.394 1.00 41.43 C ATOM 695 O ILE A 44 0.245 -5.093 12.279 1.00 73.45 O ATOM 696 CB ILE A 44 -2.405 -4.410 10.418 1.00 0.24 C ATOM 697 CG1 ILE A 44 -2.902 -3.633 9.148 1.00 61.23 C ATOM 698 CG2 ILE A 44 -2.497 -3.533 11.702 1.00 53.22 C ATOM 699 CD1 ILE A 44 -4.362 -3.229 9.162 1.00 71.24 C ATOM 0 H ILE A 44 -1.805 -6.033 8.624 1.00 71.21 H new ATOM 0 HA ILE A 44 -0.296 -4.044 10.025 1.00 51.00 H new ATOM 0 HB ILE A 44 -3.056 -5.269 10.583 1.00 0.24 H new ATOM 0 HG12 ILE A 44 -2.295 -2.735 9.032 1.00 61.23 H new ATOM 0 HG13 ILE A 44 -2.723 -4.254 8.270 1.00 61.23 H new ATOM 0 HG21 ILE A 44 -3.525 -3.201 11.843 1.00 53.22 H new ATOM 0 HG22 ILE A 44 -2.184 -4.119 12.566 1.00 53.22 H new ATOM 0 HG23 ILE A 44 -1.846 -2.665 11.597 1.00 53.22 H new ATOM 0 HD11 ILE A 44 -4.602 -2.699 8.240 1.00 71.24 H new ATOM 0 HD12 ILE A 44 -4.985 -4.120 9.241 1.00 71.24 H new ATOM 0 HD13 ILE A 44 -4.551 -2.577 10.015 1.00 71.24 H new ATOM 711 N LYS A 45 -0.592 -7.024 11.397 1.00 64.12 N ATOM 712 CA LYS A 45 -0.015 -7.936 12.410 1.00 54.35 C ATOM 713 C LYS A 45 1.529 -7.884 12.378 1.00 64.43 C ATOM 714 O LYS A 45 2.173 -7.924 13.429 1.00 24.43 O ATOM 715 CB LYS A 45 -0.515 -9.394 12.201 1.00 54.44 C ATOM 716 CG LYS A 45 -1.970 -9.652 12.669 1.00 71.33 C ATOM 717 CD LYS A 45 -2.502 -11.052 12.263 1.00 55.33 C ATOM 718 CE LYS A 45 -1.594 -12.210 12.724 1.00 63.24 C ATOM 719 NZ LYS A 45 -1.378 -12.211 14.195 1.00 25.30 N ATOM 0 H LYS A 45 -1.163 -7.500 10.698 1.00 64.12 H new ATOM 0 HA LYS A 45 -0.351 -7.600 13.391 1.00 54.35 H new ATOM 0 HB2 LYS A 45 -0.439 -9.642 11.142 1.00 54.44 H new ATOM 0 HB3 LYS A 45 0.150 -10.072 12.736 1.00 54.44 H new ATOM 0 HG2 LYS A 45 -2.020 -9.552 13.753 1.00 71.33 H new ATOM 0 HG3 LYS A 45 -2.622 -8.886 12.248 1.00 71.33 H new ATOM 0 HD2 LYS A 45 -3.497 -11.191 12.685 1.00 55.33 H new ATOM 0 HD3 LYS A 45 -2.607 -11.092 11.179 1.00 55.33 H new ATOM 0 HE2 LYS A 45 -2.040 -13.159 12.424 1.00 63.24 H new ATOM 0 HE3 LYS A 45 -0.631 -12.136 12.218 1.00 63.24 H new ATOM 0 HZ1 LYS A 45 -0.762 -13.007 14.455 1.00 25.30 H new ATOM 0 HZ2 LYS A 45 -0.928 -11.318 14.480 1.00 25.30 H new ATOM 0 HZ3 LYS A 45 -2.293 -12.308 14.680 1.00 25.30 H new ATOM 733 N SER A 46 2.107 -7.784 11.165 1.00 10.01 N ATOM 734 CA SER A 46 3.561 -7.657 10.977 1.00 22.42 C ATOM 735 C SER A 46 4.037 -6.221 11.298 1.00 41.21 C ATOM 736 O SER A 46 5.097 -6.039 11.903 1.00 52.33 O ATOM 737 CB SER A 46 3.923 -8.059 9.525 1.00 24.15 C ATOM 738 OG SER A 46 5.324 -7.990 9.277 1.00 62.44 O ATOM 0 H SER A 46 1.579 -7.789 10.292 1.00 10.01 H new ATOM 0 HA SER A 46 4.074 -8.326 11.668 1.00 22.42 H new ATOM 0 HB2 SER A 46 3.572 -9.073 9.333 1.00 24.15 H new ATOM 0 HB3 SER A 46 3.400 -7.404 8.828 1.00 24.15 H new ATOM 0 HG SER A 46 5.506 -8.253 8.351 1.00 62.44 H new ATOM 744 N MET A 47 3.212 -5.213 10.917 1.00 12.11 N ATOM 745 CA MET A 47 3.524 -3.768 11.092 1.00 45.11 C ATOM 746 C MET A 47 3.718 -3.369 12.564 1.00 54.41 C ATOM 747 O MET A 47 4.286 -2.309 12.849 1.00 22.15 O ATOM 748 CB MET A 47 2.415 -2.889 10.449 1.00 0.23 C ATOM 749 CG MET A 47 2.458 -2.840 8.917 1.00 4.42 C ATOM 750 SD MET A 47 3.980 -2.089 8.304 1.00 33.22 S ATOM 751 CE MET A 47 3.790 -0.383 8.839 1.00 22.33 C ATOM 0 H MET A 47 2.307 -5.379 10.477 1.00 12.11 H new ATOM 0 HA MET A 47 4.473 -3.595 10.584 1.00 45.11 H new ATOM 0 HB2 MET A 47 1.441 -3.267 10.762 1.00 0.23 H new ATOM 0 HB3 MET A 47 2.502 -1.874 10.836 1.00 0.23 H new ATOM 0 HG2 MET A 47 2.368 -3.851 8.520 1.00 4.42 H new ATOM 0 HG3 MET A 47 1.602 -2.275 8.549 1.00 4.42 H new ATOM 0 HE1 MET A 47 4.458 0.256 8.261 1.00 22.33 H new ATOM 0 HE2 MET A 47 2.759 -0.066 8.683 1.00 22.33 H new ATOM 0 HE3 MET A 47 4.038 -0.304 9.897 1.00 22.33 H new ATOM 761 N LYS A 48 3.227 -4.221 13.483 1.00 0.20 N ATOM 762 CA LYS A 48 3.412 -4.049 14.933 1.00 22.31 C ATOM 763 C LYS A 48 4.911 -4.061 15.297 1.00 41.22 C ATOM 764 O LYS A 48 5.374 -3.269 16.126 1.00 64.41 O ATOM 765 CB LYS A 48 2.679 -5.185 15.688 1.00 32.13 C ATOM 766 CG LYS A 48 1.153 -5.220 15.465 1.00 53.45 C ATOM 767 CD LYS A 48 0.502 -6.490 16.062 1.00 62.21 C ATOM 768 CE LYS A 48 -1.024 -6.478 15.974 1.00 72.30 C ATOM 769 NZ LYS A 48 -1.619 -5.425 16.836 1.00 32.23 N ATOM 0 H LYS A 48 2.688 -5.052 13.238 1.00 0.20 H new ATOM 0 HA LYS A 48 2.994 -3.086 15.227 1.00 22.31 H new ATOM 0 HB2 LYS A 48 3.101 -6.141 15.378 1.00 32.13 H new ATOM 0 HB3 LYS A 48 2.875 -5.081 16.755 1.00 32.13 H new ATOM 0 HG2 LYS A 48 0.702 -4.336 15.916 1.00 53.45 H new ATOM 0 HG3 LYS A 48 0.943 -5.175 14.396 1.00 53.45 H new ATOM 0 HD2 LYS A 48 0.883 -7.367 15.539 1.00 62.21 H new ATOM 0 HD3 LYS A 48 0.799 -6.587 17.106 1.00 62.21 H new ATOM 0 HE2 LYS A 48 -1.327 -6.315 14.940 1.00 72.30 H new ATOM 0 HE3 LYS A 48 -1.413 -7.452 16.270 1.00 72.30 H new ATOM 0 HZ1 LYS A 48 -2.221 -5.868 17.559 1.00 32.23 H new ATOM 0 HZ2 LYS A 48 -0.860 -4.886 17.300 1.00 32.23 H new ATOM 0 HZ3 LYS A 48 -2.193 -4.783 16.253 1.00 32.23 H new ATOM 783 N ASP A 49 5.651 -4.984 14.655 1.00 64.13 N ATOM 784 CA ASP A 49 7.106 -5.147 14.843 1.00 75.14 C ATOM 785 C ASP A 49 7.885 -4.254 13.876 1.00 63.15 C ATOM 786 O ASP A 49 8.896 -3.649 14.268 1.00 53.34 O ATOM 787 CB ASP A 49 7.510 -6.631 14.639 1.00 72.31 C ATOM 788 CG ASP A 49 6.878 -7.553 15.686 1.00 23.41 C ATOM 789 OD1 ASP A 49 5.675 -7.866 15.562 1.00 71.13 O ATOM 790 OD2 ASP A 49 7.564 -7.946 16.654 1.00 64.43 O ATOM 0 H ASP A 49 5.253 -5.643 13.986 1.00 64.13 H new ATOM 0 HA ASP A 49 7.353 -4.847 15.861 1.00 75.14 H new ATOM 0 HB2 ASP A 49 7.207 -6.954 13.643 1.00 72.31 H new ATOM 0 HB3 ASP A 49 8.595 -6.720 14.687 1.00 72.31 H new ATOM 795 N ASN A 50 7.399 -4.186 12.610 1.00 25.14 N ATOM 796 CA ASN A 50 8.073 -3.453 11.514 1.00 71.55 C ATOM 797 C ASN A 50 8.241 -1.975 11.871 1.00 11.12 C ATOM 798 O ASN A 50 9.364 -1.466 11.928 1.00 42.42 O ATOM 799 CB ASN A 50 7.290 -3.554 10.162 1.00 73.14 C ATOM 800 CG ASN A 50 7.051 -4.975 9.664 1.00 53.55 C ATOM 801 OD1 ASN A 50 7.776 -5.913 10.007 1.00 70.13 O ATOM 802 ND2 ASN A 50 6.045 -5.134 8.813 1.00 62.31 N ATOM 0 H ASN A 50 6.530 -4.638 12.324 1.00 25.14 H new ATOM 0 HA ASN A 50 9.049 -3.922 11.387 1.00 71.55 H new ATOM 0 HB2 ASN A 50 6.326 -3.059 10.279 1.00 73.14 H new ATOM 0 HB3 ASN A 50 7.840 -3.004 9.398 1.00 73.14 H new ATOM 0 HD21 ASN A 50 5.850 -6.055 8.420 1.00 62.31 H new ATOM 0 HD22 ASN A 50 5.467 -4.335 8.552 1.00 62.31 H new ATOM 809 N GLY A 51 7.104 -1.320 12.174 1.00 13.32 N ATOM 810 CA GLY A 51 7.038 0.137 12.190 1.00 44.12 C ATOM 811 C GLY A 51 7.276 0.670 10.784 1.00 34.50 C ATOM 812 O GLY A 51 6.704 0.127 9.839 1.00 61.24 O ATOM 0 H GLY A 51 6.226 -1.783 12.409 1.00 13.32 H new ATOM 0 HA2 GLY A 51 6.064 0.464 12.555 1.00 44.12 H new ATOM 0 HA3 GLY A 51 7.786 0.538 12.874 1.00 44.12 H new ATOM 816 N LYS A 52 8.130 1.706 10.647 1.00 65.04 N ATOM 817 CA LYS A 52 8.684 2.152 9.341 1.00 64.33 C ATOM 818 C LYS A 52 7.591 2.685 8.360 1.00 21.45 C ATOM 819 O LYS A 52 6.389 2.652 8.673 1.00 12.10 O ATOM 820 CB LYS A 52 9.513 0.979 8.691 1.00 70.32 C ATOM 821 CG LYS A 52 10.677 0.384 9.538 1.00 11.14 C ATOM 822 CD LYS A 52 11.848 1.374 9.841 1.00 31.45 C ATOM 823 CE LYS A 52 11.632 2.250 11.086 1.00 21.44 C ATOM 824 NZ LYS A 52 12.813 3.105 11.371 1.00 0.31 N ATOM 0 H LYS A 52 8.458 2.261 11.437 1.00 65.04 H new ATOM 0 HA LYS A 52 9.342 2.999 9.536 1.00 64.33 H new ATOM 0 HB2 LYS A 52 8.823 0.171 8.447 1.00 70.32 H new ATOM 0 HB3 LYS A 52 9.928 1.338 7.749 1.00 70.32 H new ATOM 0 HG2 LYS A 52 10.271 0.025 10.484 1.00 11.14 H new ATOM 0 HG3 LYS A 52 11.081 -0.483 9.015 1.00 11.14 H new ATOM 0 HD2 LYS A 52 12.767 0.802 9.969 1.00 31.45 H new ATOM 0 HD3 LYS A 52 11.993 2.022 8.976 1.00 31.45 H new ATOM 0 HE2 LYS A 52 10.754 2.880 10.940 1.00 21.44 H new ATOM 0 HE3 LYS A 52 11.428 1.614 11.947 1.00 21.44 H new ATOM 0 HZ1 LYS A 52 12.629 3.681 12.217 1.00 0.31 H new ATOM 0 HZ2 LYS A 52 13.645 2.504 11.536 1.00 0.31 H new ATOM 0 HZ3 LYS A 52 12.993 3.730 10.560 1.00 0.31 H new ATOM 838 N PRO A 53 7.996 3.270 7.185 1.00 1.43 N ATOM 839 CA PRO A 53 7.071 3.455 6.057 1.00 55.23 C ATOM 840 C PRO A 53 6.876 2.141 5.271 1.00 51.01 C ATOM 841 O PRO A 53 7.844 1.474 4.926 1.00 4.34 O ATOM 842 CB PRO A 53 7.772 4.543 5.209 1.00 73.31 C ATOM 843 CG PRO A 53 9.240 4.365 5.471 1.00 44.03 C ATOM 844 CD PRO A 53 9.342 3.868 6.901 1.00 2.54 C ATOM 0 HA PRO A 53 6.065 3.743 6.362 1.00 55.23 H new ATOM 0 HB2 PRO A 53 7.544 4.424 4.150 1.00 73.31 H new ATOM 0 HB3 PRO A 53 7.439 5.541 5.496 1.00 73.31 H new ATOM 0 HG2 PRO A 53 9.678 3.650 4.775 1.00 44.03 H new ATOM 0 HG3 PRO A 53 9.778 5.304 5.343 1.00 44.03 H new ATOM 0 HD2 PRO A 53 10.136 3.129 7.009 1.00 2.54 H new ATOM 0 HD3 PRO A 53 9.568 4.682 7.589 1.00 2.54 H new ATOM 852 N LEU A 54 5.621 1.761 5.028 1.00 31.52 N ATOM 853 CA LEU A 54 5.283 0.584 4.207 1.00 14.40 C ATOM 854 C LEU A 54 4.533 1.059 2.956 1.00 54.11 C ATOM 855 O LEU A 54 4.134 2.217 2.876 1.00 1.15 O ATOM 856 CB LEU A 54 4.417 -0.421 5.022 1.00 13.13 C ATOM 857 CG LEU A 54 4.472 -1.904 4.526 1.00 21.11 C ATOM 858 CD1 LEU A 54 5.833 -2.540 4.863 1.00 74.54 C ATOM 859 CD2 LEU A 54 3.304 -2.741 5.069 1.00 51.05 C ATOM 0 H LEU A 54 4.807 2.256 5.392 1.00 31.52 H new ATOM 0 HA LEU A 54 6.196 0.067 3.911 1.00 14.40 H new ATOM 0 HB2 LEU A 54 4.738 -0.391 6.063 1.00 13.13 H new ATOM 0 HB3 LEU A 54 3.380 -0.085 4.998 1.00 13.13 H new ATOM 0 HG LEU A 54 4.364 -1.892 3.441 1.00 21.11 H new ATOM 0 HD11 LEU A 54 5.850 -3.571 4.510 1.00 74.54 H new ATOM 0 HD12 LEU A 54 6.629 -1.976 4.376 1.00 74.54 H new ATOM 0 HD13 LEU A 54 5.985 -2.524 5.942 1.00 74.54 H new ATOM 0 HD21 LEU A 54 3.385 -3.763 4.698 1.00 51.05 H new ATOM 0 HD22 LEU A 54 3.336 -2.747 6.158 1.00 51.05 H new ATOM 0 HD23 LEU A 54 2.361 -2.308 4.737 1.00 51.05 H new ATOM 871 N VAL A 55 4.321 0.157 1.989 1.00 51.14 N ATOM 872 CA VAL A 55 3.579 0.436 0.752 1.00 2.44 C ATOM 873 C VAL A 55 2.781 -0.822 0.392 1.00 30.12 C ATOM 874 O VAL A 55 3.359 -1.826 -0.041 1.00 12.31 O ATOM 875 CB VAL A 55 4.502 0.843 -0.462 1.00 20.34 C ATOM 876 CG1 VAL A 55 3.655 1.123 -1.721 1.00 42.31 C ATOM 877 CG2 VAL A 55 5.393 2.062 -0.137 1.00 55.13 C ATOM 0 H VAL A 55 4.665 -0.802 2.045 1.00 51.14 H new ATOM 0 HA VAL A 55 2.931 1.293 0.936 1.00 2.44 H new ATOM 0 HB VAL A 55 5.162 -0.002 -0.656 1.00 20.34 H new ATOM 0 HG11 VAL A 55 4.311 1.402 -2.546 1.00 42.31 H new ATOM 0 HG12 VAL A 55 3.095 0.227 -1.989 1.00 42.31 H new ATOM 0 HG13 VAL A 55 2.960 1.938 -1.518 1.00 42.31 H new ATOM 0 HG21 VAL A 55 6.009 2.303 -1.003 1.00 55.13 H new ATOM 0 HG22 VAL A 55 4.764 2.917 0.110 1.00 55.13 H new ATOM 0 HG23 VAL A 55 6.036 1.827 0.712 1.00 55.13 H new ATOM 887 N VAL A 56 1.464 -0.779 0.638 1.00 62.11 N ATOM 888 CA VAL A 56 0.543 -1.869 0.300 1.00 32.34 C ATOM 889 C VAL A 56 -0.193 -1.553 -1.011 1.00 2.33 C ATOM 890 O VAL A 56 -1.004 -0.623 -1.076 1.00 73.40 O ATOM 891 CB VAL A 56 -0.478 -2.150 1.466 1.00 53.44 C ATOM 892 CG1 VAL A 56 -1.601 -3.129 1.039 1.00 4.21 C ATOM 893 CG2 VAL A 56 0.266 -2.690 2.706 1.00 63.31 C ATOM 0 H VAL A 56 1.007 0.019 1.080 1.00 62.11 H new ATOM 0 HA VAL A 56 1.131 -2.776 0.162 1.00 32.34 H new ATOM 0 HB VAL A 56 -0.956 -1.203 1.717 1.00 53.44 H new ATOM 0 HG11 VAL A 56 -2.280 -3.292 1.876 1.00 4.21 H new ATOM 0 HG12 VAL A 56 -2.154 -2.705 0.201 1.00 4.21 H new ATOM 0 HG13 VAL A 56 -1.160 -4.080 0.739 1.00 4.21 H new ATOM 0 HG21 VAL A 56 -0.450 -2.881 3.506 1.00 63.31 H new ATOM 0 HG22 VAL A 56 0.777 -3.617 2.448 1.00 63.31 H new ATOM 0 HG23 VAL A 56 0.997 -1.954 3.041 1.00 63.31 H new ATOM 903 N PHE A 57 0.118 -2.337 -2.046 1.00 51.13 N ATOM 904 CA PHE A 57 -0.567 -2.293 -3.337 1.00 15.41 C ATOM 905 C PHE A 57 -1.835 -3.148 -3.250 1.00 24.41 C ATOM 906 O PHE A 57 -1.746 -4.346 -2.956 1.00 4.44 O ATOM 907 CB PHE A 57 0.370 -2.832 -4.446 1.00 62.54 C ATOM 908 CG PHE A 57 1.557 -1.921 -4.758 1.00 64.12 C ATOM 909 CD1 PHE A 57 1.439 -0.905 -5.706 1.00 35.01 C ATOM 910 CD2 PHE A 57 2.779 -2.065 -4.097 1.00 70.31 C ATOM 911 CE1 PHE A 57 2.499 -0.067 -5.982 1.00 50.21 C ATOM 912 CE2 PHE A 57 3.839 -1.224 -4.382 1.00 1.43 C ATOM 913 CZ PHE A 57 3.697 -0.224 -5.320 1.00 14.35 C ATOM 0 H PHE A 57 0.865 -3.031 -2.008 1.00 51.13 H new ATOM 0 HA PHE A 57 -0.837 -1.266 -3.582 1.00 15.41 H new ATOM 0 HB2 PHE A 57 0.746 -3.810 -4.145 1.00 62.54 H new ATOM 0 HB3 PHE A 57 -0.210 -2.979 -5.357 1.00 62.54 H new ATOM 0 HD1 PHE A 57 0.505 -0.773 -6.231 1.00 35.01 H new ATOM 0 HD2 PHE A 57 2.897 -2.841 -3.356 1.00 70.31 H new ATOM 0 HE1 PHE A 57 2.390 0.715 -6.719 1.00 50.21 H new ATOM 0 HE2 PHE A 57 4.781 -1.351 -3.868 1.00 1.43 H new ATOM 0 HZ PHE A 57 4.524 0.436 -5.536 1.00 14.35 H new ATOM 923 N VAL A 58 -3.007 -2.535 -3.478 1.00 64.42 N ATOM 924 CA VAL A 58 -4.286 -3.262 -3.500 1.00 51.22 C ATOM 925 C VAL A 58 -4.351 -4.063 -4.816 1.00 60.11 C ATOM 926 O VAL A 58 -4.829 -3.571 -5.838 1.00 61.32 O ATOM 927 CB VAL A 58 -5.522 -2.281 -3.355 1.00 71.24 C ATOM 928 CG1 VAL A 58 -6.872 -3.049 -3.357 1.00 2.20 C ATOM 929 CG2 VAL A 58 -5.387 -1.407 -2.084 1.00 31.34 C ATOM 0 H VAL A 58 -3.095 -1.534 -3.650 1.00 64.42 H new ATOM 0 HA VAL A 58 -4.340 -3.939 -2.648 1.00 51.22 H new ATOM 0 HB VAL A 58 -5.520 -1.625 -4.225 1.00 71.24 H new ATOM 0 HG11 VAL A 58 -7.694 -2.340 -3.256 1.00 2.20 H new ATOM 0 HG12 VAL A 58 -6.978 -3.596 -4.294 1.00 2.20 H new ATOM 0 HG13 VAL A 58 -6.893 -3.750 -2.523 1.00 2.20 H new ATOM 0 HG21 VAL A 58 -6.247 -0.742 -2.007 1.00 31.34 H new ATOM 0 HG22 VAL A 58 -5.344 -2.049 -1.204 1.00 31.34 H new ATOM 0 HG23 VAL A 58 -4.475 -0.814 -2.145 1.00 31.34 H new ATOM 939 N ASN A 59 -3.762 -5.269 -4.800 1.00 72.44 N ATOM 940 CA ASN A 59 -3.674 -6.144 -5.977 1.00 65.43 C ATOM 941 C ASN A 59 -4.302 -7.501 -5.631 1.00 24.32 C ATOM 942 O ASN A 59 -3.647 -8.361 -5.031 1.00 4.52 O ATOM 943 CB ASN A 59 -2.180 -6.283 -6.384 1.00 53.04 C ATOM 944 CG ASN A 59 -1.962 -7.070 -7.675 1.00 32.12 C ATOM 945 OD1 ASN A 59 -1.909 -6.494 -8.765 1.00 11.23 O ATOM 946 ND2 ASN A 59 -1.844 -8.394 -7.567 1.00 10.32 N ATOM 0 H ASN A 59 -3.331 -5.666 -3.965 1.00 72.44 H new ATOM 0 HA ASN A 59 -4.218 -5.726 -6.823 1.00 65.43 H new ATOM 0 HB2 ASN A 59 -1.751 -5.288 -6.500 1.00 53.04 H new ATOM 0 HB3 ASN A 59 -1.637 -6.772 -5.575 1.00 53.04 H new ATOM 0 HD21 ASN A 59 -1.705 -8.963 -8.402 1.00 10.32 H new ATOM 0 HD22 ASN A 59 -1.893 -8.837 -6.650 1.00 10.32 H new ATOM 953 N GLY A 60 -5.594 -7.656 -5.967 1.00 63.23 N ATOM 954 CA GLY A 60 -6.378 -8.843 -5.614 1.00 2.30 C ATOM 955 C GLY A 60 -7.554 -8.479 -4.719 1.00 52.24 C ATOM 956 O GLY A 60 -8.653 -9.022 -4.876 1.00 13.01 O ATOM 0 H GLY A 60 -6.121 -6.958 -6.492 1.00 63.23 H new ATOM 0 HA2 GLY A 60 -6.743 -9.324 -6.521 1.00 2.30 H new ATOM 0 HA3 GLY A 60 -5.740 -9.565 -5.105 1.00 2.30 H new ATOM 960 N ALA A 61 -7.308 -7.551 -3.769 1.00 4.32 N ATOM 961 CA ALA A 61 -8.330 -7.061 -2.819 1.00 63.30 C ATOM 962 C ALA A 61 -9.265 -6.027 -3.487 1.00 2.14 C ATOM 963 O ALA A 61 -9.082 -5.675 -4.658 1.00 43.21 O ATOM 964 CB ALA A 61 -7.637 -6.465 -1.582 1.00 22.12 C ATOM 0 H ALA A 61 -6.393 -7.120 -3.639 1.00 4.32 H new ATOM 0 HA ALA A 61 -8.951 -7.900 -2.506 1.00 63.30 H new ATOM 0 HB1 ALA A 61 -8.390 -6.104 -0.882 1.00 22.12 H new ATOM 0 HB2 ALA A 61 -7.031 -7.232 -1.100 1.00 22.12 H new ATOM 0 HB3 ALA A 61 -6.998 -5.636 -1.887 1.00 22.12 H new ATOM 970 N SER A 62 -10.256 -5.538 -2.725 1.00 74.31 N ATOM 971 CA SER A 62 -11.294 -4.611 -3.220 1.00 13.33 C ATOM 972 C SER A 62 -11.627 -3.542 -2.156 1.00 32.43 C ATOM 973 O SER A 62 -11.064 -3.569 -1.058 1.00 4.54 O ATOM 974 CB SER A 62 -12.547 -5.430 -3.612 1.00 32.23 C ATOM 975 OG SER A 62 -12.252 -6.376 -4.634 1.00 54.44 O ATOM 0 H SER A 62 -10.363 -5.775 -1.739 1.00 74.31 H new ATOM 0 HA SER A 62 -10.926 -4.081 -4.099 1.00 13.33 H new ATOM 0 HB2 SER A 62 -12.933 -5.949 -2.735 1.00 32.23 H new ATOM 0 HB3 SER A 62 -13.332 -4.755 -3.954 1.00 32.23 H new ATOM 0 HG SER A 62 -13.063 -6.879 -4.858 1.00 54.44 H new ATOM 981 N GLN A 63 -12.561 -2.618 -2.499 1.00 54.22 N ATOM 982 CA GLN A 63 -12.924 -1.449 -1.661 1.00 32.04 C ATOM 983 C GLN A 63 -13.507 -1.860 -0.281 1.00 61.12 C ATOM 984 O GLN A 63 -13.321 -1.131 0.703 1.00 54.03 O ATOM 985 CB GLN A 63 -13.907 -0.516 -2.439 1.00 62.21 C ATOM 986 CG GLN A 63 -14.381 0.741 -1.661 1.00 2.04 C ATOM 987 CD GLN A 63 -13.237 1.635 -1.147 1.00 43.12 C ATOM 988 OE1 GLN A 63 -12.176 1.760 -1.765 1.00 43.23 O ATOM 989 NE2 GLN A 63 -13.444 2.248 0.000 1.00 64.01 N ATOM 0 H GLN A 63 -13.086 -2.665 -3.372 1.00 54.22 H new ATOM 0 HA GLN A 63 -12.007 -0.899 -1.450 1.00 32.04 H new ATOM 0 HB2 GLN A 63 -13.423 -0.192 -3.360 1.00 62.21 H new ATOM 0 HB3 GLN A 63 -14.783 -1.097 -2.727 1.00 62.21 H new ATOM 0 HG2 GLN A 63 -15.027 1.333 -2.309 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -14.987 0.422 -0.813 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -14.330 2.127 0.490 1.00 64.01 H new ATOM 0 HE22 GLN A 63 -12.718 2.844 0.398 1.00 64.01 H new ATOM 998 N ASN A 64 -14.192 -3.029 -0.218 1.00 52.42 N ATOM 999 CA ASN A 64 -14.668 -3.613 1.064 1.00 61.34 C ATOM 1000 C ASN A 64 -13.477 -3.808 2.007 1.00 53.25 C ATOM 1001 O ASN A 64 -13.466 -3.310 3.135 1.00 54.41 O ATOM 1002 CB ASN A 64 -15.379 -4.983 0.852 1.00 3.32 C ATOM 1003 CG ASN A 64 -16.672 -4.896 0.052 1.00 71.23 C ATOM 1004 OD1 ASN A 64 -17.346 -3.863 0.036 1.00 54.25 O ATOM 1005 ND2 ASN A 64 -17.045 -5.987 -0.593 1.00 3.11 N ATOM 0 H ASN A 64 -14.428 -3.587 -1.039 1.00 52.42 H new ATOM 0 HA ASN A 64 -15.391 -2.921 1.495 1.00 61.34 H new ATOM 0 HB2 ASN A 64 -14.694 -5.661 0.342 1.00 3.32 H new ATOM 0 HB3 ASN A 64 -15.596 -5.422 1.826 1.00 3.32 H new ATOM 0 HD21 ASN A 64 -17.915 -5.992 -1.126 1.00 3.11 H new ATOM 0 HD22 ASN A 64 -16.463 -6.824 -0.558 1.00 3.11 H new ATOM 1012 N ASP A 65 -12.433 -4.434 1.447 1.00 24.43 N ATOM 1013 CA ASP A 65 -11.229 -4.844 2.191 1.00 44.32 C ATOM 1014 C ASP A 65 -10.347 -3.623 2.504 1.00 23.20 C ATOM 1015 O ASP A 65 -9.604 -3.628 3.484 1.00 42.32 O ATOM 1016 CB ASP A 65 -10.427 -5.891 1.380 1.00 74.02 C ATOM 1017 CG ASP A 65 -11.296 -7.013 0.796 1.00 65.45 C ATOM 1018 OD1 ASP A 65 -11.932 -7.750 1.578 1.00 74.34 O ATOM 1019 OD2 ASP A 65 -11.358 -7.152 -0.448 1.00 42.55 O ATOM 0 H ASP A 65 -12.398 -4.673 0.456 1.00 24.43 H new ATOM 0 HA ASP A 65 -11.542 -5.295 3.133 1.00 44.32 H new ATOM 0 HB2 ASP A 65 -9.905 -5.386 0.567 1.00 74.02 H new ATOM 0 HB3 ASP A 65 -9.665 -6.331 2.023 1.00 74.02 H new ATOM 1024 N VAL A 66 -10.448 -2.585 1.644 1.00 30.22 N ATOM 1025 CA VAL A 66 -9.775 -1.281 1.826 1.00 70.13 C ATOM 1026 C VAL A 66 -10.304 -0.587 3.092 1.00 21.04 C ATOM 1027 O VAL A 66 -9.520 -0.096 3.910 1.00 64.11 O ATOM 1028 CB VAL A 66 -9.985 -0.362 0.552 1.00 4.11 C ATOM 1029 CG1 VAL A 66 -9.656 1.128 0.820 1.00 40.45 C ATOM 1030 CG2 VAL A 66 -9.152 -0.894 -0.644 1.00 21.15 C ATOM 0 H VAL A 66 -11.007 -2.631 0.792 1.00 30.22 H new ATOM 0 HA VAL A 66 -8.705 -1.452 1.945 1.00 70.13 H new ATOM 0 HB VAL A 66 -11.045 -0.409 0.304 1.00 4.11 H new ATOM 0 HG11 VAL A 66 -9.819 1.706 -0.090 1.00 40.45 H new ATOM 0 HG12 VAL A 66 -10.303 1.507 1.611 1.00 40.45 H new ATOM 0 HG13 VAL A 66 -8.614 1.221 1.127 1.00 40.45 H new ATOM 0 HG21 VAL A 66 -9.308 -0.251 -1.510 1.00 21.15 H new ATOM 0 HG22 VAL A 66 -8.095 -0.896 -0.379 1.00 21.15 H new ATOM 0 HG23 VAL A 66 -9.467 -1.909 -0.884 1.00 21.15 H new ATOM 1040 N ASN A 67 -11.645 -0.573 3.240 1.00 53.50 N ATOM 1041 CA ASN A 67 -12.325 -0.013 4.432 1.00 71.34 C ATOM 1042 C ASN A 67 -11.924 -0.788 5.697 1.00 14.13 C ATOM 1043 O ASN A 67 -11.664 -0.196 6.749 1.00 32.33 O ATOM 1044 CB ASN A 67 -13.869 -0.059 4.258 1.00 14.34 C ATOM 1045 CG ASN A 67 -14.388 0.836 3.135 1.00 55.03 C ATOM 1046 OD1 ASN A 67 -13.818 1.886 2.837 1.00 54.41 O ATOM 1047 ND2 ASN A 67 -15.479 0.434 2.516 1.00 22.33 N ATOM 0 H ASN A 67 -12.287 -0.947 2.541 1.00 53.50 H new ATOM 0 HA ASN A 67 -12.013 1.026 4.538 1.00 71.34 H new ATOM 0 HB2 ASN A 67 -14.173 -1.087 4.061 1.00 14.34 H new ATOM 0 HB3 ASN A 67 -14.340 0.239 5.195 1.00 14.34 H new ATOM 0 HD21 ASN A 67 -15.876 0.998 1.765 1.00 22.33 H new ATOM 0 HD22 ASN A 67 -15.926 -0.441 2.788 1.00 22.33 H new ATOM 1054 N GLU A 68 -11.863 -2.127 5.551 1.00 73.21 N ATOM 1055 CA GLU A 68 -11.498 -3.050 6.636 1.00 43.53 C ATOM 1056 C GLU A 68 -10.022 -2.876 7.055 1.00 54.52 C ATOM 1057 O GLU A 68 -9.693 -3.030 8.231 1.00 71.02 O ATOM 1058 CB GLU A 68 -11.770 -4.506 6.198 1.00 55.21 C ATOM 1059 CG GLU A 68 -13.249 -4.814 5.888 1.00 73.25 C ATOM 1060 CD GLU A 68 -13.509 -6.302 5.612 1.00 23.54 C ATOM 1061 OE1 GLU A 68 -13.510 -7.097 6.581 1.00 54.42 O ATOM 1062 OE2 GLU A 68 -13.718 -6.682 4.441 1.00 40.44 O ATOM 0 H GLU A 68 -12.068 -2.598 4.670 1.00 73.21 H new ATOM 0 HA GLU A 68 -12.114 -2.816 7.505 1.00 43.53 H new ATOM 0 HB2 GLU A 68 -11.173 -4.723 5.312 1.00 55.21 H new ATOM 0 HB3 GLU A 68 -11.429 -5.179 6.985 1.00 55.21 H new ATOM 0 HG2 GLU A 68 -13.865 -4.493 6.728 1.00 73.25 H new ATOM 0 HG3 GLU A 68 -13.562 -4.230 5.023 1.00 73.25 H new ATOM 1069 N PHE A 69 -9.152 -2.542 6.070 1.00 75.51 N ATOM 1070 CA PHE A 69 -7.724 -2.233 6.302 1.00 71.31 C ATOM 1071 C PHE A 69 -7.601 -1.017 7.215 1.00 50.23 C ATOM 1072 O PHE A 69 -6.913 -1.064 8.234 1.00 64.34 O ATOM 1073 CB PHE A 69 -6.975 -1.963 4.953 1.00 34.12 C ATOM 1074 CG PHE A 69 -5.558 -1.381 5.106 1.00 62.43 C ATOM 1075 CD1 PHE A 69 -4.487 -2.180 5.517 1.00 22.51 C ATOM 1076 CD2 PHE A 69 -5.303 -0.027 4.860 1.00 54.43 C ATOM 1077 CE1 PHE A 69 -3.220 -1.653 5.664 1.00 32.11 C ATOM 1078 CE2 PHE A 69 -4.034 0.496 5.008 1.00 31.30 C ATOM 1079 CZ PHE A 69 -2.995 -0.315 5.414 1.00 61.22 C ATOM 0 H PHE A 69 -9.425 -2.480 5.089 1.00 75.51 H new ATOM 0 HA PHE A 69 -7.262 -3.097 6.779 1.00 71.31 H new ATOM 0 HB2 PHE A 69 -6.910 -2.898 4.396 1.00 34.12 H new ATOM 0 HB3 PHE A 69 -7.572 -1.276 4.354 1.00 34.12 H new ATOM 0 HD1 PHE A 69 -4.654 -3.227 5.723 1.00 22.51 H new ATOM 0 HD2 PHE A 69 -6.111 0.619 4.550 1.00 54.43 H new ATOM 0 HE1 PHE A 69 -2.404 -2.288 5.975 1.00 32.11 H new ATOM 0 HE2 PHE A 69 -3.855 1.542 4.806 1.00 31.30 H new ATOM 0 HZ PHE A 69 -2.004 0.098 5.536 1.00 61.22 H new ATOM 1089 N GLN A 70 -8.270 0.072 6.791 1.00 2.14 N ATOM 1090 CA GLN A 70 -8.281 1.352 7.504 1.00 4.23 C ATOM 1091 C GLN A 70 -8.807 1.201 8.944 1.00 41.41 C ATOM 1092 O GLN A 70 -8.320 1.876 9.847 1.00 73.43 O ATOM 1093 CB GLN A 70 -9.117 2.383 6.706 1.00 55.11 C ATOM 1094 CG GLN A 70 -8.579 2.644 5.277 1.00 11.51 C ATOM 1095 CD GLN A 70 -9.373 3.688 4.492 1.00 64.33 C ATOM 1096 OE1 GLN A 70 -9.936 4.623 5.063 1.00 63.54 O ATOM 1097 NE2 GLN A 70 -9.421 3.544 3.175 1.00 42.03 N ATOM 0 H GLN A 70 -8.822 0.082 5.934 1.00 2.14 H new ATOM 0 HA GLN A 70 -7.255 1.711 7.583 1.00 4.23 H new ATOM 0 HB2 GLN A 70 -10.146 2.030 6.639 1.00 55.11 H new ATOM 0 HB3 GLN A 70 -9.138 3.324 7.255 1.00 55.11 H new ATOM 0 HG2 GLN A 70 -7.541 2.969 5.345 1.00 11.51 H new ATOM 0 HG3 GLN A 70 -8.584 1.706 4.722 1.00 11.51 H new ATOM 0 HE21 GLN A 70 -8.945 2.759 2.730 1.00 42.03 H new ATOM 0 HE22 GLN A 70 -9.934 4.218 2.607 1.00 42.03 H new ATOM 1106 N ASN A 71 -9.792 0.293 9.133 1.00 73.22 N ATOM 1107 CA ASN A 71 -10.355 -0.031 10.461 1.00 45.13 C ATOM 1108 C ASN A 71 -9.305 -0.713 11.356 1.00 73.11 C ATOM 1109 O ASN A 71 -9.003 -0.214 12.455 1.00 41.41 O ATOM 1110 CB ASN A 71 -11.638 -0.908 10.324 1.00 15.31 C ATOM 1111 CG ASN A 71 -12.835 -0.122 9.773 1.00 61.44 C ATOM 1112 OD1 ASN A 71 -12.979 1.082 10.020 1.00 45.25 O ATOM 1113 ND2 ASN A 71 -13.700 -0.785 9.028 1.00 71.31 N ATOM 0 H ASN A 71 -10.217 -0.234 8.370 1.00 73.22 H new ATOM 0 HA ASN A 71 -10.641 0.904 10.942 1.00 45.13 H new ATOM 0 HB2 ASN A 71 -11.428 -1.751 9.666 1.00 15.31 H new ATOM 0 HB3 ASN A 71 -11.897 -1.321 11.299 1.00 15.31 H new ATOM 0 HD21 ASN A 71 -14.512 -0.305 8.640 1.00 71.31 H new ATOM 0 HD22 ASN A 71 -13.556 -1.777 8.841 1.00 71.31 H new ATOM 1120 N GLU A 72 -8.751 -1.854 10.885 1.00 13.42 N ATOM 1121 CA GLU A 72 -7.733 -2.617 11.647 1.00 51.45 C ATOM 1122 C GLU A 72 -6.443 -1.803 11.911 1.00 64.34 C ATOM 1123 O GLU A 72 -5.738 -2.057 12.897 1.00 1.42 O ATOM 1124 CB GLU A 72 -7.417 -3.983 10.970 1.00 30.14 C ATOM 1125 CG GLU A 72 -8.653 -4.877 10.705 1.00 10.45 C ATOM 1126 CD GLU A 72 -9.591 -5.042 11.923 1.00 74.54 C ATOM 1127 OE1 GLU A 72 -9.316 -5.890 12.803 1.00 33.42 O ATOM 1128 OE2 GLU A 72 -10.625 -4.338 11.998 1.00 11.14 O ATOM 0 H GLU A 72 -8.990 -2.266 9.983 1.00 13.42 H new ATOM 0 HA GLU A 72 -8.172 -2.822 12.623 1.00 51.45 H new ATOM 0 HB2 GLU A 72 -6.912 -3.795 10.022 1.00 30.14 H new ATOM 0 HB3 GLU A 72 -6.717 -4.532 11.600 1.00 30.14 H new ATOM 0 HG2 GLU A 72 -9.222 -4.454 9.877 1.00 10.45 H new ATOM 0 HG3 GLU A 72 -8.313 -5.862 10.387 1.00 10.45 H new ATOM 1135 N ALA A 73 -6.135 -0.844 11.023 1.00 51.43 N ATOM 1136 CA ALA A 73 -5.029 0.107 11.218 1.00 50.23 C ATOM 1137 C ALA A 73 -5.335 1.128 12.340 1.00 24.31 C ATOM 1138 O ALA A 73 -4.607 1.192 13.339 1.00 0.33 O ATOM 1139 CB ALA A 73 -4.726 0.818 9.889 1.00 55.13 C ATOM 0 H ALA A 73 -6.645 -0.706 10.151 1.00 51.43 H new ATOM 0 HA ALA A 73 -4.148 -0.450 11.536 1.00 50.23 H new ATOM 0 HB1 ALA A 73 -3.907 1.523 10.032 1.00 55.13 H new ATOM 0 HB2 ALA A 73 -4.443 0.080 9.138 1.00 55.13 H new ATOM 0 HB3 ALA A 73 -5.613 1.356 9.554 1.00 55.13 H new ATOM 1145 N LYS A 74 -6.427 1.904 12.167 1.00 72.40 N ATOM 1146 CA LYS A 74 -6.775 3.031 13.068 1.00 14.15 C ATOM 1147 C LYS A 74 -7.051 2.579 14.525 1.00 64.21 C ATOM 1148 O LYS A 74 -6.856 3.370 15.455 1.00 35.21 O ATOM 1149 CB LYS A 74 -7.990 3.824 12.504 1.00 60.53 C ATOM 1150 CG LYS A 74 -9.347 3.084 12.592 1.00 0.14 C ATOM 1151 CD LYS A 74 -10.489 3.769 11.805 1.00 71.42 C ATOM 1152 CE LYS A 74 -10.800 5.198 12.284 1.00 51.24 C ATOM 1153 NZ LYS A 74 -12.007 5.754 11.608 1.00 24.44 N ATOM 0 H LYS A 74 -7.091 1.770 11.404 1.00 72.40 H new ATOM 0 HA LYS A 74 -5.903 3.683 13.104 1.00 14.15 H new ATOM 0 HB2 LYS A 74 -8.071 4.768 13.043 1.00 60.53 H new ATOM 0 HB3 LYS A 74 -7.793 4.069 11.460 1.00 60.53 H new ATOM 0 HG2 LYS A 74 -9.220 2.068 12.218 1.00 0.14 H new ATOM 0 HG3 LYS A 74 -9.638 3.004 13.639 1.00 0.14 H new ATOM 0 HD2 LYS A 74 -10.223 3.799 10.748 1.00 71.42 H new ATOM 0 HD3 LYS A 74 -11.391 3.163 11.889 1.00 71.42 H new ATOM 0 HE2 LYS A 74 -10.956 5.195 13.363 1.00 51.24 H new ATOM 0 HE3 LYS A 74 -9.943 5.843 12.088 1.00 51.24 H new ATOM 0 HZ1 LYS A 74 -12.186 6.718 11.955 1.00 24.44 H new ATOM 0 HZ2 LYS A 74 -11.848 5.780 10.581 1.00 24.44 H new ATOM 0 HZ3 LYS A 74 -12.829 5.152 11.816 1.00 24.44 H new ATOM 1167 N LYS A 75 -7.495 1.313 14.723 1.00 0.33 N ATOM 1168 CA LYS A 75 -7.749 0.765 16.075 1.00 14.21 C ATOM 1169 C LYS A 75 -6.425 0.488 16.825 1.00 42.34 C ATOM 1170 O LYS A 75 -6.381 0.525 18.057 1.00 42.22 O ATOM 1171 CB LYS A 75 -8.617 -0.521 15.981 1.00 53.11 C ATOM 1172 CG LYS A 75 -7.906 -1.738 15.355 1.00 43.03 C ATOM 1173 CD LYS A 75 -8.859 -2.906 15.011 1.00 50.33 C ATOM 1174 CE LYS A 75 -9.578 -3.517 16.215 1.00 33.21 C ATOM 1175 NZ LYS A 75 -10.497 -4.617 15.792 1.00 55.22 N ATOM 0 H LYS A 75 -7.683 0.656 13.966 1.00 0.33 H new ATOM 0 HA LYS A 75 -8.299 1.511 16.648 1.00 14.21 H new ATOM 0 HB2 LYS A 75 -8.952 -0.790 16.983 1.00 53.11 H new ATOM 0 HB3 LYS A 75 -9.509 -0.298 15.395 1.00 53.11 H new ATOM 0 HG2 LYS A 75 -7.393 -1.420 14.447 1.00 43.03 H new ATOM 0 HG3 LYS A 75 -7.142 -2.096 16.045 1.00 43.03 H new ATOM 0 HD2 LYS A 75 -9.605 -2.551 14.300 1.00 50.33 H new ATOM 0 HD3 LYS A 75 -8.288 -3.688 14.510 1.00 50.33 H new ATOM 0 HE2 LYS A 75 -8.845 -3.904 16.923 1.00 33.21 H new ATOM 0 HE3 LYS A 75 -10.145 -2.744 16.734 1.00 33.21 H new ATOM 0 HZ1 LYS A 75 -10.972 -5.014 16.628 1.00 55.22 H new ATOM 0 HZ2 LYS A 75 -11.210 -4.240 15.135 1.00 55.22 H new ATOM 0 HZ3 LYS A 75 -9.950 -5.364 15.318 1.00 55.22 H new ATOM 1189 N GLU A 76 -5.352 0.195 16.066 1.00 44.51 N ATOM 1190 CA GLU A 76 -4.000 -0.036 16.617 1.00 23.22 C ATOM 1191 C GLU A 76 -3.163 1.251 16.617 1.00 51.34 C ATOM 1192 O GLU A 76 -2.051 1.276 17.156 1.00 54.41 O ATOM 1193 CB GLU A 76 -3.290 -1.134 15.793 1.00 35.34 C ATOM 1194 CG GLU A 76 -4.040 -2.475 15.764 1.00 41.33 C ATOM 1195 CD GLU A 76 -4.340 -3.051 17.165 1.00 21.45 C ATOM 1196 OE1 GLU A 76 -3.403 -3.546 17.823 1.00 64.40 O ATOM 1197 OE2 GLU A 76 -5.508 -3.022 17.605 1.00 34.13 O ATOM 0 H GLU A 76 -5.397 0.111 15.050 1.00 44.51 H new ATOM 0 HA GLU A 76 -4.103 -0.361 17.652 1.00 23.22 H new ATOM 0 HB2 GLU A 76 -3.160 -0.780 14.770 1.00 35.34 H new ATOM 0 HB3 GLU A 76 -2.293 -1.295 16.204 1.00 35.34 H new ATOM 0 HG2 GLU A 76 -4.979 -2.344 15.226 1.00 41.33 H new ATOM 0 HG3 GLU A 76 -3.450 -3.199 15.202 1.00 41.33 H new ATOM 1204 N GLY A 77 -3.721 2.321 16.019 1.00 63.24 N ATOM 1205 CA GLY A 77 -3.017 3.589 15.860 1.00 55.11 C ATOM 1206 C GLY A 77 -2.084 3.634 14.659 1.00 54.54 C ATOM 1207 O GLY A 77 -1.342 4.612 14.502 1.00 42.44 O ATOM 0 H GLY A 77 -4.667 2.322 15.638 1.00 63.24 H new ATOM 0 HA2 GLY A 77 -3.750 4.390 15.768 1.00 55.11 H new ATOM 0 HA3 GLY A 77 -2.440 3.788 16.763 1.00 55.11 H new ATOM 1211 N VAL A 78 -2.108 2.577 13.815 1.00 71.42 N ATOM 1212 CA VAL A 78 -1.303 2.506 12.583 1.00 11.44 C ATOM 1213 C VAL A 78 -1.787 3.577 11.589 1.00 72.03 C ATOM 1214 O VAL A 78 -2.979 3.633 11.263 1.00 52.45 O ATOM 1215 CB VAL A 78 -1.374 1.074 11.918 1.00 43.12 C ATOM 1216 CG1 VAL A 78 -0.549 0.999 10.605 1.00 12.32 C ATOM 1217 CG2 VAL A 78 -0.921 -0.022 12.909 1.00 32.44 C ATOM 0 H VAL A 78 -2.687 1.752 13.973 1.00 71.42 H new ATOM 0 HA VAL A 78 -0.262 2.692 12.848 1.00 11.44 H new ATOM 0 HB VAL A 78 -2.418 0.896 11.658 1.00 43.12 H new ATOM 0 HG11 VAL A 78 -0.627 -0.003 10.183 1.00 12.32 H new ATOM 0 HG12 VAL A 78 -0.936 1.725 9.890 1.00 12.32 H new ATOM 0 HG13 VAL A 78 0.496 1.222 10.819 1.00 12.32 H new ATOM 0 HG21 VAL A 78 -0.980 -0.997 12.425 1.00 32.44 H new ATOM 0 HG22 VAL A 78 0.107 0.169 13.217 1.00 32.44 H new ATOM 0 HG23 VAL A 78 -1.570 -0.012 13.785 1.00 32.44 H new ATOM 1227 N SER A 79 -0.858 4.436 11.145 1.00 75.35 N ATOM 1228 CA SER A 79 -1.148 5.519 10.200 1.00 10.21 C ATOM 1229 C SER A 79 -1.188 4.963 8.768 1.00 11.14 C ATOM 1230 O SER A 79 -0.550 3.944 8.473 1.00 50.15 O ATOM 1231 CB SER A 79 -0.080 6.619 10.339 1.00 23.23 C ATOM 1232 OG SER A 79 -0.010 7.097 11.676 1.00 32.44 O ATOM 0 H SER A 79 0.119 4.397 11.434 1.00 75.35 H new ATOM 0 HA SER A 79 -2.123 5.954 10.422 1.00 10.21 H new ATOM 0 HB2 SER A 79 0.892 6.227 10.038 1.00 23.23 H new ATOM 0 HB3 SER A 79 -0.313 7.444 9.666 1.00 23.23 H new ATOM 0 HG SER A 79 0.677 7.793 11.739 1.00 32.44 H new ATOM 1238 N TYR A 80 -1.953 5.629 7.896 1.00 75.42 N ATOM 1239 CA TYR A 80 -2.142 5.206 6.501 1.00 50.34 C ATOM 1240 C TYR A 80 -2.510 6.418 5.632 1.00 2.10 C ATOM 1241 O TYR A 80 -3.247 7.311 6.074 1.00 12.22 O ATOM 1242 CB TYR A 80 -3.224 4.085 6.401 1.00 15.33 C ATOM 1243 CG TYR A 80 -4.577 4.433 7.063 1.00 1.23 C ATOM 1244 CD1 TYR A 80 -4.798 4.195 8.430 1.00 62.30 C ATOM 1245 CD2 TYR A 80 -5.627 5.005 6.332 1.00 73.11 C ATOM 1246 CE1 TYR A 80 -6.001 4.508 9.030 1.00 43.24 C ATOM 1247 CE2 TYR A 80 -6.829 5.318 6.935 1.00 4.23 C ATOM 1248 CZ TYR A 80 -7.012 5.069 8.280 1.00 2.24 C ATOM 1249 OH TYR A 80 -8.213 5.379 8.882 1.00 42.32 O ATOM 0 H TYR A 80 -2.461 6.480 8.137 1.00 75.42 H new ATOM 0 HA TYR A 80 -1.206 4.788 6.129 1.00 50.34 H new ATOM 0 HB2 TYR A 80 -3.397 3.859 5.349 1.00 15.33 H new ATOM 0 HB3 TYR A 80 -2.832 3.178 6.862 1.00 15.33 H new ATOM 0 HD1 TYR A 80 -4.009 3.758 9.024 1.00 62.30 H new ATOM 0 HD2 TYR A 80 -5.494 5.204 5.279 1.00 73.11 H new ATOM 0 HE1 TYR A 80 -6.149 4.314 10.082 1.00 43.24 H new ATOM 0 HE2 TYR A 80 -7.626 5.758 6.354 1.00 4.23 H new ATOM 0 HH TYR A 80 -8.821 5.768 8.219 1.00 42.32 H new ATOM 1259 N ASP A 81 -1.954 6.449 4.414 1.00 51.34 N ATOM 1260 CA ASP A 81 -2.284 7.434 3.376 1.00 32.41 C ATOM 1261 C ASP A 81 -2.990 6.717 2.223 1.00 3.41 C ATOM 1262 O ASP A 81 -2.423 5.805 1.613 1.00 54.51 O ATOM 1263 CB ASP A 81 -0.998 8.140 2.866 1.00 1.42 C ATOM 1264 CG ASP A 81 -0.370 9.074 3.912 1.00 35.13 C ATOM 1265 OD1 ASP A 81 0.476 8.620 4.708 1.00 31.54 O ATOM 1266 OD2 ASP A 81 -0.721 10.275 3.940 1.00 71.11 O ATOM 0 H ASP A 81 -1.248 5.776 4.117 1.00 51.34 H new ATOM 0 HA ASP A 81 -2.942 8.196 3.793 1.00 32.41 H new ATOM 0 HB2 ASP A 81 -0.267 7.385 2.575 1.00 1.42 H new ATOM 0 HB3 ASP A 81 -1.236 8.714 1.971 1.00 1.42 H new ATOM 1271 N VAL A 82 -4.231 7.133 1.938 1.00 0.33 N ATOM 1272 CA VAL A 82 -5.047 6.570 0.857 1.00 72.44 C ATOM 1273 C VAL A 82 -4.702 7.309 -0.450 1.00 44.15 C ATOM 1274 O VAL A 82 -5.016 8.495 -0.612 1.00 42.21 O ATOM 1275 CB VAL A 82 -6.590 6.682 1.180 1.00 3.40 C ATOM 1276 CG1 VAL A 82 -7.452 6.107 0.028 1.00 63.41 C ATOM 1277 CG2 VAL A 82 -6.918 5.981 2.527 1.00 61.43 C ATOM 0 H VAL A 82 -4.700 7.876 2.456 1.00 0.33 H new ATOM 0 HA VAL A 82 -4.824 5.508 0.751 1.00 72.44 H new ATOM 0 HB VAL A 82 -6.837 7.739 1.276 1.00 3.40 H new ATOM 0 HG11 VAL A 82 -8.508 6.200 0.282 1.00 63.41 H new ATOM 0 HG12 VAL A 82 -7.250 6.661 -0.889 1.00 63.41 H new ATOM 0 HG13 VAL A 82 -7.206 5.056 -0.121 1.00 63.41 H new ATOM 0 HG21 VAL A 82 -7.985 6.069 2.732 1.00 61.43 H new ATOM 0 HG22 VAL A 82 -6.646 4.927 2.465 1.00 61.43 H new ATOM 0 HG23 VAL A 82 -6.354 6.455 3.330 1.00 61.43 H new ATOM 1287 N LEU A 83 -3.982 6.612 -1.333 1.00 65.43 N ATOM 1288 CA LEU A 83 -3.525 7.137 -2.627 1.00 24.23 C ATOM 1289 C LEU A 83 -4.417 6.557 -3.735 1.00 42.01 C ATOM 1290 O LEU A 83 -4.468 5.340 -3.903 1.00 14.22 O ATOM 1291 CB LEU A 83 -2.042 6.730 -2.839 1.00 31.44 C ATOM 1292 CG LEU A 83 -1.379 7.145 -4.195 1.00 53.24 C ATOM 1293 CD1 LEU A 83 -1.335 8.679 -4.372 1.00 1.00 C ATOM 1294 CD2 LEU A 83 0.027 6.519 -4.330 1.00 45.23 C ATOM 0 H LEU A 83 -3.694 5.648 -1.167 1.00 65.43 H new ATOM 0 HA LEU A 83 -3.594 8.225 -2.652 1.00 24.23 H new ATOM 0 HB2 LEU A 83 -1.453 7.160 -2.028 1.00 31.44 H new ATOM 0 HB3 LEU A 83 -1.971 5.646 -2.745 1.00 31.44 H new ATOM 0 HG LEU A 83 -2.002 6.754 -4.999 1.00 53.24 H new ATOM 0 HD11 LEU A 83 -0.867 8.922 -5.326 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -2.350 9.077 -4.354 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.757 9.122 -3.561 1.00 1.00 H new ATOM 0 HD21 LEU A 83 0.470 6.820 -5.279 1.00 45.23 H new ATOM 0 HD22 LEU A 83 0.658 6.862 -3.510 1.00 45.23 H new ATOM 0 HD23 LEU A 83 -0.054 5.433 -4.296 1.00 45.23 H new ATOM 1306 N LYS A 84 -5.154 7.419 -4.456 1.00 54.43 N ATOM 1307 CA LYS A 84 -5.983 7.000 -5.602 1.00 4.21 C ATOM 1308 C LYS A 84 -5.574 7.791 -6.850 1.00 20.33 C ATOM 1309 O LYS A 84 -5.838 8.995 -6.952 1.00 40.52 O ATOM 1310 CB LYS A 84 -7.499 7.169 -5.303 1.00 4.14 C ATOM 1311 CG LYS A 84 -8.022 6.280 -4.149 1.00 73.25 C ATOM 1312 CD LYS A 84 -9.558 6.346 -3.979 1.00 2.24 C ATOM 1313 CE LYS A 84 -10.063 5.474 -2.825 1.00 42.14 C ATOM 1314 NZ LYS A 84 -11.540 5.549 -2.669 1.00 34.42 N ATOM 0 H LYS A 84 -5.193 8.420 -4.264 1.00 54.43 H new ATOM 0 HA LYS A 84 -5.812 5.939 -5.783 1.00 4.21 H new ATOM 0 HB2 LYS A 84 -7.695 8.213 -5.060 1.00 4.14 H new ATOM 0 HB3 LYS A 84 -8.064 6.941 -6.207 1.00 4.14 H new ATOM 0 HG2 LYS A 84 -7.727 5.247 -4.332 1.00 73.25 H new ATOM 0 HG3 LYS A 84 -7.546 6.587 -3.218 1.00 73.25 H new ATOM 0 HD2 LYS A 84 -9.856 7.380 -3.805 1.00 2.24 H new ATOM 0 HD3 LYS A 84 -10.036 6.028 -4.906 1.00 2.24 H new ATOM 0 HE2 LYS A 84 -9.770 4.439 -2.999 1.00 42.14 H new ATOM 0 HE3 LYS A 84 -9.585 5.789 -1.898 1.00 42.14 H new ATOM 0 HZ1 LYS A 84 -11.837 4.944 -1.877 1.00 34.42 H new ATOM 0 HZ2 LYS A 84 -11.819 6.532 -2.477 1.00 34.42 H new ATOM 0 HZ3 LYS A 84 -11.998 5.224 -3.544 1.00 34.42 H new ATOM 1328 N SER A 85 -4.901 7.097 -7.779 1.00 14.05 N ATOM 1329 CA SER A 85 -4.452 7.665 -9.057 1.00 53.22 C ATOM 1330 C SER A 85 -4.269 6.546 -10.085 1.00 22.42 C ATOM 1331 O SER A 85 -3.841 5.440 -9.742 1.00 41.24 O ATOM 1332 CB SER A 85 -3.133 8.454 -8.877 1.00 43.20 C ATOM 1333 OG SER A 85 -2.668 9.003 -10.102 1.00 35.42 O ATOM 0 H SER A 85 -4.651 6.115 -7.662 1.00 14.05 H new ATOM 0 HA SER A 85 -5.212 8.359 -9.416 1.00 53.22 H new ATOM 0 HB2 SER A 85 -3.287 9.257 -8.156 1.00 43.20 H new ATOM 0 HB3 SER A 85 -2.370 7.795 -8.463 1.00 43.20 H new ATOM 0 HG SER A 85 -2.161 9.822 -9.922 1.00 35.42 H new ATOM 1339 N THR A 86 -4.617 6.840 -11.338 1.00 10.13 N ATOM 1340 CA THR A 86 -4.394 5.952 -12.477 1.00 74.11 C ATOM 1341 C THR A 86 -3.294 6.574 -13.352 1.00 64.25 C ATOM 1342 O THR A 86 -3.575 7.300 -14.316 1.00 51.45 O ATOM 1343 CB THR A 86 -5.727 5.732 -13.280 1.00 54.14 C ATOM 1344 OG1 THR A 86 -6.288 7.003 -13.656 1.00 75.33 O ATOM 1345 CG2 THR A 86 -6.770 4.954 -12.455 1.00 40.22 C ATOM 0 H THR A 86 -5.070 7.718 -11.593 1.00 10.13 H new ATOM 0 HA THR A 86 -4.072 4.967 -12.138 1.00 74.11 H new ATOM 0 HB THR A 86 -5.480 5.147 -14.166 1.00 54.14 H new ATOM 0 HG1 THR A 86 -5.588 7.567 -14.047 1.00 75.33 H new ATOM 0 HG21 THR A 86 -7.677 4.823 -13.046 1.00 40.22 H new ATOM 0 HG22 THR A 86 -6.367 3.977 -12.187 1.00 40.22 H new ATOM 0 HG23 THR A 86 -7.005 5.511 -11.548 1.00 40.22 H new ATOM 1353 N ASP A 87 -2.026 6.316 -12.975 1.00 33.52 N ATOM 1354 CA ASP A 87 -0.867 6.979 -13.590 1.00 32.05 C ATOM 1355 C ASP A 87 0.426 6.225 -13.220 1.00 41.41 C ATOM 1356 O ASP A 87 0.774 6.174 -12.031 1.00 41.20 O ATOM 1357 CB ASP A 87 -0.767 8.464 -13.140 1.00 72.04 C ATOM 1358 CG ASP A 87 0.218 9.271 -14.005 1.00 63.53 C ATOM 1359 OD1 ASP A 87 1.445 9.146 -13.824 1.00 31.02 O ATOM 1360 OD2 ASP A 87 -0.227 10.024 -14.895 1.00 23.12 O ATOM 0 H ASP A 87 -1.781 5.649 -12.243 1.00 33.52 H new ATOM 0 HA ASP A 87 -0.998 6.962 -14.672 1.00 32.05 H new ATOM 0 HB2 ASP A 87 -1.754 8.924 -13.191 1.00 72.04 H new ATOM 0 HB3 ASP A 87 -0.450 8.505 -12.098 1.00 72.04 H new ATOM 1365 N PRO A 88 1.167 5.658 -14.227 1.00 63.54 N ATOM 1366 CA PRO A 88 2.378 4.839 -13.976 1.00 35.32 C ATOM 1367 C PRO A 88 3.483 5.592 -13.205 1.00 22.22 C ATOM 1368 O PRO A 88 4.014 5.063 -12.223 1.00 70.22 O ATOM 1369 CB PRO A 88 2.848 4.432 -15.401 1.00 32.42 C ATOM 1370 CG PRO A 88 2.213 5.433 -16.317 1.00 32.34 C ATOM 1371 CD PRO A 88 0.880 5.756 -15.687 1.00 34.03 C ATOM 0 HA PRO A 88 2.157 3.987 -13.334 1.00 35.32 H new ATOM 0 HB2 PRO A 88 3.935 4.457 -15.481 1.00 32.42 H new ATOM 0 HB3 PRO A 88 2.534 3.417 -15.646 1.00 32.42 H new ATOM 0 HG2 PRO A 88 2.830 6.326 -16.413 1.00 32.34 H new ATOM 0 HG3 PRO A 88 2.086 5.024 -17.320 1.00 32.34 H new ATOM 0 HD2 PRO A 88 0.533 6.751 -15.964 1.00 34.03 H new ATOM 0 HD3 PRO A 88 0.107 5.052 -15.995 1.00 34.03 H new ATOM 1379 N GLU A 89 3.779 6.846 -13.605 1.00 23.31 N ATOM 1380 CA GLU A 89 4.976 7.556 -13.102 1.00 53.23 C ATOM 1381 C GLU A 89 4.672 8.287 -11.780 1.00 3.01 C ATOM 1382 O GLU A 89 5.573 8.469 -10.947 1.00 4.42 O ATOM 1383 CB GLU A 89 5.558 8.536 -14.152 1.00 24.41 C ATOM 1384 CG GLU A 89 4.656 9.715 -14.558 1.00 50.24 C ATOM 1385 CD GLU A 89 5.395 10.738 -15.437 1.00 32.41 C ATOM 1386 OE1 GLU A 89 5.414 10.579 -16.673 1.00 34.03 O ATOM 1387 OE2 GLU A 89 5.991 11.689 -14.889 1.00 10.35 O ATOM 0 H GLU A 89 3.216 7.382 -14.265 1.00 23.31 H new ATOM 0 HA GLU A 89 5.737 6.800 -12.910 1.00 53.23 H new ATOM 0 HB2 GLU A 89 6.493 8.939 -13.763 1.00 24.41 H new ATOM 0 HB3 GLU A 89 5.804 7.969 -15.050 1.00 24.41 H new ATOM 0 HG2 GLU A 89 3.787 9.337 -15.097 1.00 50.24 H new ATOM 0 HG3 GLU A 89 4.284 10.211 -13.661 1.00 50.24 H new ATOM 1394 N GLU A 90 3.394 8.695 -11.584 1.00 65.04 N ATOM 1395 CA GLU A 90 2.967 9.383 -10.355 1.00 4.22 C ATOM 1396 C GLU A 90 2.915 8.381 -9.202 1.00 32.40 C ATOM 1397 O GLU A 90 3.489 8.639 -8.148 1.00 54.24 O ATOM 1398 CB GLU A 90 1.607 10.108 -10.520 1.00 23.01 C ATOM 1399 CG GLU A 90 1.195 10.953 -9.290 1.00 51.43 C ATOM 1400 CD GLU A 90 -0.058 11.804 -9.531 1.00 53.32 C ATOM 1401 OE1 GLU A 90 0.057 12.894 -10.131 1.00 13.52 O ATOM 1402 OE2 GLU A 90 -1.162 11.393 -9.125 1.00 24.24 O ATOM 0 H GLU A 90 2.647 8.557 -12.264 1.00 65.04 H new ATOM 0 HA GLU A 90 3.701 10.158 -10.134 1.00 4.22 H new ATOM 0 HB2 GLU A 90 1.656 10.757 -11.395 1.00 23.01 H new ATOM 0 HB3 GLU A 90 0.832 9.367 -10.716 1.00 23.01 H new ATOM 0 HG2 GLU A 90 1.017 10.289 -8.444 1.00 51.43 H new ATOM 0 HG3 GLU A 90 2.022 11.607 -9.013 1.00 51.43 H new ATOM 1409 N LEU A 91 2.286 7.208 -9.442 1.00 62.33 N ATOM 1410 CA LEU A 91 2.190 6.145 -8.421 1.00 72.21 C ATOM 1411 C LEU A 91 3.605 5.681 -7.991 1.00 71.54 C ATOM 1412 O LEU A 91 3.852 5.494 -6.801 1.00 53.44 O ATOM 1413 CB LEU A 91 1.337 4.940 -8.917 1.00 62.24 C ATOM 1414 CG LEU A 91 -0.197 5.191 -9.102 1.00 43.50 C ATOM 1415 CD1 LEU A 91 -0.907 3.921 -9.616 1.00 33.30 C ATOM 1416 CD2 LEU A 91 -0.850 5.686 -7.795 1.00 3.11 C ATOM 0 H LEU A 91 1.840 6.976 -10.330 1.00 62.33 H new ATOM 0 HA LEU A 91 1.680 6.564 -7.553 1.00 72.21 H new ATOM 0 HB2 LEU A 91 1.744 4.605 -9.871 1.00 62.24 H new ATOM 0 HB3 LEU A 91 1.464 4.120 -8.211 1.00 62.24 H new ATOM 0 HG LEU A 91 -0.311 5.975 -9.850 1.00 43.50 H new ATOM 0 HD11 LEU A 91 -1.971 4.123 -9.736 1.00 33.30 H new ATOM 0 HD12 LEU A 91 -0.482 3.630 -10.577 1.00 33.30 H new ATOM 0 HD13 LEU A 91 -0.769 3.112 -8.899 1.00 33.30 H new ATOM 0 HD21 LEU A 91 -1.915 5.850 -7.960 1.00 3.11 H new ATOM 0 HD22 LEU A 91 -0.715 4.937 -7.014 1.00 3.11 H new ATOM 0 HD23 LEU A 91 -0.382 6.621 -7.486 1.00 3.11 H new ATOM 1428 N THR A 92 4.533 5.566 -8.973 1.00 52.32 N ATOM 1429 CA THR A 92 5.930 5.147 -8.725 1.00 22.14 C ATOM 1430 C THR A 92 6.673 6.160 -7.840 1.00 33.20 C ATOM 1431 O THR A 92 7.329 5.768 -6.856 1.00 3.53 O ATOM 1432 CB THR A 92 6.716 4.936 -10.063 1.00 52.00 C ATOM 1433 OG1 THR A 92 6.038 3.967 -10.874 1.00 11.13 O ATOM 1434 CG2 THR A 92 8.168 4.460 -9.832 1.00 33.44 C ATOM 0 H THR A 92 4.333 5.761 -9.954 1.00 52.32 H new ATOM 0 HA THR A 92 5.881 4.194 -8.199 1.00 22.14 H new ATOM 0 HB THR A 92 6.756 5.904 -10.563 1.00 52.00 H new ATOM 0 HG1 THR A 92 5.203 4.352 -11.214 1.00 11.13 H new ATOM 0 HG21 THR A 92 8.666 4.330 -10.793 1.00 33.44 H new ATOM 0 HG22 THR A 92 8.705 5.203 -9.243 1.00 33.44 H new ATOM 0 HG23 THR A 92 8.159 3.510 -9.297 1.00 33.44 H new ATOM 1442 N GLN A 93 6.550 7.467 -8.178 1.00 63.00 N ATOM 1443 CA GLN A 93 7.268 8.517 -7.448 1.00 51.41 C ATOM 1444 C GLN A 93 6.705 8.682 -6.031 1.00 50.14 C ATOM 1445 O GLN A 93 7.464 9.002 -5.124 1.00 20.41 O ATOM 1446 CB GLN A 93 7.303 9.876 -8.193 1.00 24.43 C ATOM 1447 CG GLN A 93 5.967 10.631 -8.313 1.00 53.42 C ATOM 1448 CD GLN A 93 6.142 12.046 -8.865 1.00 41.25 C ATOM 1449 OE1 GLN A 93 6.311 13.006 -8.115 1.00 72.05 O ATOM 1450 NE2 GLN A 93 6.145 12.184 -10.171 1.00 73.25 N ATOM 0 H GLN A 93 5.966 7.807 -8.942 1.00 63.00 H new ATOM 0 HA GLN A 93 8.304 8.184 -7.380 1.00 51.41 H new ATOM 0 HB2 GLN A 93 8.016 10.525 -7.685 1.00 24.43 H new ATOM 0 HB3 GLN A 93 7.688 9.704 -9.198 1.00 24.43 H new ATOM 0 HG2 GLN A 93 5.294 10.071 -8.963 1.00 53.42 H new ATOM 0 HG3 GLN A 93 5.493 10.683 -7.333 1.00 53.42 H new ATOM 0 HE21 GLN A 93 6.002 11.371 -10.770 1.00 73.25 H new ATOM 0 HE22 GLN A 93 6.290 13.104 -10.586 1.00 73.25 H new ATOM 1459 N ARG A 94 5.386 8.409 -5.844 1.00 3.12 N ATOM 1460 CA ARG A 94 4.737 8.498 -4.521 1.00 13.11 C ATOM 1461 C ARG A 94 5.276 7.413 -3.584 1.00 42.52 C ATOM 1462 O ARG A 94 5.537 7.681 -2.413 1.00 24.21 O ATOM 1463 CB ARG A 94 3.192 8.389 -4.621 1.00 75.34 C ATOM 1464 CG ARG A 94 2.499 9.546 -5.379 1.00 55.24 C ATOM 1465 CD ARG A 94 2.816 10.932 -4.795 1.00 61.44 C ATOM 1466 NE ARG A 94 2.205 12.008 -5.597 1.00 52.32 N ATOM 1467 CZ ARG A 94 2.868 13.000 -6.210 1.00 73.23 C ATOM 1468 NH1 ARG A 94 4.196 13.077 -6.155 1.00 3.42 N ATOM 1469 NH2 ARG A 94 2.187 13.914 -6.885 1.00 1.45 N ATOM 0 H ARG A 94 4.758 8.126 -6.596 1.00 3.12 H new ATOM 0 HA ARG A 94 4.976 9.480 -4.113 1.00 13.11 H new ATOM 0 HB2 ARG A 94 2.941 7.450 -5.115 1.00 75.34 H new ATOM 0 HB3 ARG A 94 2.781 8.339 -3.613 1.00 75.34 H new ATOM 0 HG2 ARG A 94 2.806 9.521 -6.425 1.00 55.24 H new ATOM 0 HG3 ARG A 94 1.421 9.389 -5.360 1.00 55.24 H new ATOM 0 HD2 ARG A 94 2.450 10.988 -3.770 1.00 61.44 H new ATOM 0 HD3 ARG A 94 3.896 11.074 -4.757 1.00 61.44 H new ATOM 0 HE ARG A 94 1.190 11.997 -5.694 1.00 52.32 H new ATOM 0 HH11 ARG A 94 4.727 12.374 -5.640 1.00 3.42 H new ATOM 0 HH12 ARG A 94 4.683 13.839 -6.628 1.00 3.42 H new ATOM 0 HH21 ARG A 94 1.170 13.859 -6.934 1.00 1.45 H new ATOM 0 HH22 ARG A 94 2.680 14.673 -7.355 1.00 1.45 H new ATOM 1483 N VAL A 95 5.437 6.191 -4.126 1.00 43.15 N ATOM 1484 CA VAL A 95 5.980 5.039 -3.391 1.00 3.25 C ATOM 1485 C VAL A 95 7.414 5.334 -2.915 1.00 2.24 C ATOM 1486 O VAL A 95 7.715 5.227 -1.714 1.00 25.40 O ATOM 1487 CB VAL A 95 5.945 3.739 -4.283 1.00 41.30 C ATOM 1488 CG1 VAL A 95 6.687 2.557 -3.620 1.00 10.04 C ATOM 1489 CG2 VAL A 95 4.487 3.338 -4.629 1.00 42.13 C ATOM 0 H VAL A 95 5.192 5.977 -5.093 1.00 43.15 H new ATOM 0 HA VAL A 95 5.355 4.865 -2.515 1.00 3.25 H new ATOM 0 HB VAL A 95 6.469 3.978 -5.208 1.00 41.30 H new ATOM 0 HG11 VAL A 95 6.636 1.684 -4.271 1.00 10.04 H new ATOM 0 HG12 VAL A 95 7.730 2.828 -3.457 1.00 10.04 H new ATOM 0 HG13 VAL A 95 6.219 2.324 -2.664 1.00 10.04 H new ATOM 0 HG21 VAL A 95 4.493 2.439 -5.245 1.00 42.13 H new ATOM 0 HG22 VAL A 95 3.935 3.144 -3.709 1.00 42.13 H new ATOM 0 HG23 VAL A 95 4.007 4.149 -5.176 1.00 42.13 H new ATOM 1499 N ARG A 96 8.277 5.762 -3.858 1.00 21.10 N ATOM 1500 CA ARG A 96 9.704 5.960 -3.571 1.00 14.10 C ATOM 1501 C ARG A 96 9.935 7.141 -2.604 1.00 11.11 C ATOM 1502 O ARG A 96 10.698 7.000 -1.644 1.00 25.13 O ATOM 1503 CB ARG A 96 10.556 6.106 -4.872 1.00 51.03 C ATOM 1504 CG ARG A 96 10.296 7.368 -5.713 1.00 13.32 C ATOM 1505 CD ARG A 96 11.198 7.465 -6.959 1.00 13.31 C ATOM 1506 NE ARG A 96 12.630 7.570 -6.615 1.00 35.21 N ATOM 1507 CZ ARG A 96 13.631 7.788 -7.492 1.00 32.11 C ATOM 1508 NH1 ARG A 96 13.391 7.929 -8.795 1.00 63.32 N ATOM 1509 NH2 ARG A 96 14.875 7.869 -7.048 1.00 21.22 N ATOM 0 H ARG A 96 8.009 5.975 -4.819 1.00 21.10 H new ATOM 0 HA ARG A 96 10.049 5.056 -3.069 1.00 14.10 H new ATOM 0 HB2 ARG A 96 11.610 6.089 -4.595 1.00 51.03 H new ATOM 0 HB3 ARG A 96 10.377 5.233 -5.499 1.00 51.03 H new ATOM 0 HG2 ARG A 96 9.252 7.379 -6.027 1.00 13.32 H new ATOM 0 HG3 ARG A 96 10.451 8.249 -5.091 1.00 13.32 H new ATOM 0 HD2 ARG A 96 11.042 6.587 -7.586 1.00 13.31 H new ATOM 0 HD3 ARG A 96 10.905 8.334 -7.549 1.00 13.31 H new ATOM 0 HE ARG A 96 12.883 7.469 -5.632 1.00 35.21 H new ATOM 0 HH11 ARG A 96 12.435 7.873 -9.147 1.00 63.32 H new ATOM 0 HH12 ARG A 96 14.163 8.093 -9.441 1.00 63.32 H new ATOM 0 HH21 ARG A 96 15.069 7.767 -6.052 1.00 21.22 H new ATOM 0 HH22 ARG A 96 15.640 8.034 -7.702 1.00 21.22 H new ATOM 1523 N GLU A 97 9.228 8.279 -2.822 1.00 3.03 N ATOM 1524 CA GLU A 97 9.406 9.489 -1.991 1.00 12.10 C ATOM 1525 C GLU A 97 8.909 9.223 -0.556 1.00 23.11 C ATOM 1526 O GLU A 97 9.526 9.690 0.403 1.00 73.10 O ATOM 1527 CB GLU A 97 8.701 10.736 -2.612 1.00 3.53 C ATOM 1528 CG GLU A 97 7.156 10.716 -2.582 1.00 13.24 C ATOM 1529 CD GLU A 97 6.511 11.892 -3.337 1.00 32.43 C ATOM 1530 OE1 GLU A 97 6.292 12.962 -2.729 1.00 64.25 O ATOM 1531 OE2 GLU A 97 6.226 11.762 -4.548 1.00 3.32 O ATOM 0 H GLU A 97 8.534 8.380 -3.563 1.00 3.03 H new ATOM 0 HA GLU A 97 10.471 9.718 -1.956 1.00 12.10 H new ATOM 0 HB2 GLU A 97 9.045 11.625 -2.084 1.00 3.53 H new ATOM 0 HB3 GLU A 97 9.025 10.835 -3.648 1.00 3.53 H new ATOM 0 HG2 GLU A 97 6.804 9.780 -3.016 1.00 13.24 H new ATOM 0 HG3 GLU A 97 6.821 10.733 -1.545 1.00 13.24 H new ATOM 1538 N PHE A 98 7.813 8.427 -0.430 1.00 20.51 N ATOM 1539 CA PHE A 98 7.232 8.017 0.863 1.00 64.22 C ATOM 1540 C PHE A 98 8.257 7.205 1.678 1.00 63.22 C ATOM 1541 O PHE A 98 8.465 7.467 2.859 1.00 41.33 O ATOM 1542 CB PHE A 98 5.944 7.184 0.604 1.00 31.31 C ATOM 1543 CG PHE A 98 5.157 6.775 1.848 1.00 70.23 C ATOM 1544 CD1 PHE A 98 4.232 7.648 2.426 1.00 12.52 C ATOM 1545 CD2 PHE A 98 5.326 5.518 2.431 1.00 74.43 C ATOM 1546 CE1 PHE A 98 3.513 7.278 3.545 1.00 74.43 C ATOM 1547 CE2 PHE A 98 4.607 5.158 3.549 1.00 13.22 C ATOM 1548 CZ PHE A 98 3.704 6.033 4.101 1.00 52.33 C ATOM 0 H PHE A 98 7.309 8.053 -1.234 1.00 20.51 H new ATOM 0 HA PHE A 98 6.971 8.902 1.443 1.00 64.22 H new ATOM 0 HB2 PHE A 98 5.286 7.760 -0.046 1.00 31.31 H new ATOM 0 HB3 PHE A 98 6.221 6.282 0.059 1.00 31.31 H new ATOM 0 HD1 PHE A 98 4.077 8.625 1.992 1.00 12.52 H new ATOM 0 HD2 PHE A 98 6.029 4.820 2.000 1.00 74.43 H new ATOM 0 HE1 PHE A 98 2.803 7.963 3.983 1.00 74.43 H new ATOM 0 HE2 PHE A 98 4.754 4.184 3.993 1.00 13.22 H new ATOM 0 HZ PHE A 98 3.141 5.743 4.976 1.00 52.33 H new ATOM 1558 N LEU A 99 8.920 6.244 1.015 1.00 62.21 N ATOM 1559 CA LEU A 99 9.931 5.380 1.660 1.00 44.10 C ATOM 1560 C LEU A 99 11.210 6.160 2.024 1.00 10.24 C ATOM 1561 O LEU A 99 12.014 5.692 2.839 1.00 14.42 O ATOM 1562 CB LEU A 99 10.254 4.168 0.751 1.00 22.32 C ATOM 1563 CG LEU A 99 9.051 3.211 0.460 1.00 75.22 C ATOM 1564 CD1 LEU A 99 9.452 2.062 -0.487 1.00 73.45 C ATOM 1565 CD2 LEU A 99 8.439 2.678 1.775 1.00 62.11 C ATOM 0 H LEU A 99 8.775 6.042 0.026 1.00 62.21 H new ATOM 0 HA LEU A 99 9.510 5.014 2.596 1.00 44.10 H new ATOM 0 HB2 LEU A 99 10.639 4.539 -0.199 1.00 22.32 H new ATOM 0 HB3 LEU A 99 11.053 3.590 1.215 1.00 22.32 H new ATOM 0 HG LEU A 99 8.284 3.791 -0.053 1.00 75.22 H new ATOM 0 HD11 LEU A 99 8.590 1.419 -0.665 1.00 73.45 H new ATOM 0 HD12 LEU A 99 9.798 2.475 -1.434 1.00 73.45 H new ATOM 0 HD13 LEU A 99 10.252 1.478 -0.032 1.00 73.45 H new ATOM 0 HD21 LEU A 99 7.605 2.015 1.546 1.00 62.11 H new ATOM 0 HD22 LEU A 99 9.197 2.128 2.332 1.00 62.11 H new ATOM 0 HD23 LEU A 99 8.083 3.515 2.376 1.00 62.11 H new ATOM 1577 N LYS A 100 11.403 7.335 1.393 1.00 31.43 N ATOM 1578 CA LYS A 100 12.545 8.229 1.664 1.00 2.10 C ATOM 1579 C LYS A 100 12.250 9.237 2.802 1.00 30.45 C ATOM 1580 O LYS A 100 13.174 9.622 3.534 1.00 63.22 O ATOM 1581 CB LYS A 100 12.958 8.969 0.367 1.00 2.12 C ATOM 1582 CG LYS A 100 13.547 8.052 -0.737 1.00 1.25 C ATOM 1583 CD LYS A 100 13.981 8.844 -1.998 1.00 22.14 C ATOM 1584 CE LYS A 100 15.128 9.839 -1.715 1.00 71.14 C ATOM 1585 NZ LYS A 100 15.389 10.742 -2.867 1.00 61.24 N ATOM 0 H LYS A 100 10.768 7.692 0.678 1.00 31.43 H new ATOM 0 HA LYS A 100 13.374 7.608 2.004 1.00 2.10 H new ATOM 0 HB2 LYS A 100 12.086 9.486 -0.035 1.00 2.12 H new ATOM 0 HB3 LYS A 100 13.694 9.733 0.618 1.00 2.12 H new ATOM 0 HG2 LYS A 100 14.406 7.513 -0.337 1.00 1.25 H new ATOM 0 HG3 LYS A 100 12.805 7.305 -1.019 1.00 1.25 H new ATOM 0 HD2 LYS A 100 14.297 8.143 -2.771 1.00 22.14 H new ATOM 0 HD3 LYS A 100 13.123 9.388 -2.393 1.00 22.14 H new ATOM 0 HE2 LYS A 100 14.880 10.436 -0.837 1.00 71.14 H new ATOM 0 HE3 LYS A 100 16.036 9.285 -1.477 1.00 71.14 H new ATOM 0 HZ1 LYS A 100 16.166 11.391 -2.630 1.00 61.24 H new ATOM 0 HZ2 LYS A 100 15.652 10.176 -3.699 1.00 61.24 H new ATOM 0 HZ3 LYS A 100 14.532 11.291 -3.079 1.00 61.24 H new ATOM 1599 N THR A 101 10.971 9.677 2.959 1.00 12.12 N ATOM 1600 CA THR A 101 10.630 10.783 3.900 1.00 54.20 C ATOM 1601 C THR A 101 9.838 10.318 5.144 1.00 61.13 C ATOM 1602 O THR A 101 10.079 10.826 6.243 1.00 74.30 O ATOM 1603 CB THR A 101 9.844 11.939 3.176 1.00 44.31 C ATOM 1604 OG1 THR A 101 9.703 13.076 4.047 1.00 45.34 O ATOM 1605 CG2 THR A 101 8.438 11.519 2.694 1.00 44.20 C ATOM 0 H THR A 101 10.172 9.291 2.456 1.00 12.12 H new ATOM 0 HA THR A 101 11.590 11.161 4.251 1.00 54.20 H new ATOM 0 HB THR A 101 10.438 12.191 2.297 1.00 44.31 H new ATOM 0 HG1 THR A 101 9.214 13.786 3.581 1.00 45.34 H new ATOM 0 HG21 THR A 101 7.954 12.364 2.205 1.00 44.20 H new ATOM 0 HG22 THR A 101 8.527 10.693 1.988 1.00 44.20 H new ATOM 0 HG23 THR A 101 7.840 11.203 3.549 1.00 44.20 H new ATOM 1613 N ALA A 102 8.870 9.395 4.958 1.00 55.51 N ATOM 1614 CA ALA A 102 7.925 8.978 6.026 1.00 11.51 C ATOM 1615 C ALA A 102 8.616 8.317 7.241 1.00 11.32 C ATOM 1616 O ALA A 102 8.101 8.391 8.362 1.00 23.21 O ATOM 1617 CB ALA A 102 6.831 8.081 5.445 1.00 22.11 C ATOM 0 H ALA A 102 8.719 8.918 4.069 1.00 55.51 H new ATOM 0 HA ALA A 102 7.469 9.888 6.414 1.00 11.51 H new ATOM 0 HB1 ALA A 102 6.146 7.783 6.238 1.00 22.11 H new ATOM 0 HB2 ALA A 102 6.282 8.627 4.678 1.00 22.11 H new ATOM 0 HB3 ALA A 102 7.284 7.193 5.004 1.00 22.11 H new ATOM 1623 N GLY A 103 9.790 7.700 7.015 1.00 3.11 N ATOM 1624 CA GLY A 103 10.600 7.132 8.109 1.00 43.44 C ATOM 1625 C GLY A 103 11.644 8.102 8.646 1.00 34.45 C ATOM 1626 O GLY A 103 12.508 7.713 9.443 1.00 72.01 O ATOM 0 H GLY A 103 10.198 7.582 6.088 1.00 3.11 H new ATOM 0 HA2 GLY A 103 9.940 6.831 8.923 1.00 43.44 H new ATOM 0 HA3 GLY A 103 11.099 6.231 7.753 1.00 43.44 H new ATOM 1630 N SER A 104 11.548 9.372 8.237 1.00 22.24 N ATOM 1631 CA SER A 104 12.483 10.440 8.639 1.00 3.25 C ATOM 1632 C SER A 104 11.705 11.737 8.957 1.00 71.12 C ATOM 1633 O SER A 104 12.291 12.830 8.986 1.00 25.24 O ATOM 1634 CB SER A 104 13.517 10.662 7.500 1.00 4.14 C ATOM 1635 OG SER A 104 14.254 9.475 7.234 1.00 62.54 O ATOM 0 H SER A 104 10.811 9.696 7.610 1.00 22.24 H new ATOM 0 HA SER A 104 13.017 10.148 9.543 1.00 3.25 H new ATOM 0 HB2 SER A 104 13.001 10.983 6.595 1.00 4.14 H new ATOM 0 HB3 SER A 104 14.202 11.463 7.778 1.00 4.14 H new ATOM 0 HG SER A 104 14.896 9.643 6.513 1.00 62.54 H new ATOM 1641 N LEU A 105 10.379 11.600 9.212 1.00 44.53 N ATOM 1642 CA LEU A 105 9.502 12.737 9.554 1.00 51.14 C ATOM 1643 C LEU A 105 9.833 13.290 10.955 1.00 71.23 C ATOM 1644 O LEU A 105 9.404 12.733 11.974 1.00 53.44 O ATOM 1645 CB LEU A 105 7.998 12.340 9.499 1.00 53.02 C ATOM 1646 CG LEU A 105 7.422 11.931 8.112 1.00 45.23 C ATOM 1647 CD1 LEU A 105 5.924 11.569 8.206 1.00 41.15 C ATOM 1648 CD2 LEU A 105 7.664 13.021 7.047 1.00 31.34 C ATOM 0 H LEU A 105 9.895 10.702 9.185 1.00 44.53 H new ATOM 0 HA LEU A 105 9.685 13.511 8.809 1.00 51.14 H new ATOM 0 HB2 LEU A 105 7.842 11.510 10.188 1.00 53.02 H new ATOM 0 HB3 LEU A 105 7.413 13.180 9.874 1.00 53.02 H new ATOM 0 HG LEU A 105 7.961 11.038 7.794 1.00 45.23 H new ATOM 0 HD11 LEU A 105 5.555 11.288 7.220 1.00 41.15 H new ATOM 0 HD12 LEU A 105 5.794 10.733 8.893 1.00 41.15 H new ATOM 0 HD13 LEU A 105 5.364 12.430 8.572 1.00 41.15 H new ATOM 0 HD21 LEU A 105 7.247 12.697 6.093 1.00 31.34 H new ATOM 0 HD22 LEU A 105 7.181 13.947 7.358 1.00 31.34 H new ATOM 0 HD23 LEU A 105 8.735 13.190 6.936 1.00 31.34 H new ATOM 1660 N GLU A 106 10.634 14.364 10.989 1.00 45.32 N ATOM 1661 CA GLU A 106 10.824 15.186 12.207 1.00 35.44 C ATOM 1662 C GLU A 106 9.522 15.955 12.524 1.00 53.35 C ATOM 1663 O GLU A 106 9.219 16.248 13.690 1.00 14.01 O ATOM 1664 CB GLU A 106 12.087 16.124 12.082 1.00 51.32 C ATOM 1665 CG GLU A 106 12.432 16.645 10.659 1.00 33.11 C ATOM 1666 CD GLU A 106 11.329 17.487 10.001 1.00 63.13 C ATOM 1667 OE1 GLU A 106 11.152 18.660 10.378 1.00 24.24 O ATOM 1668 OE2 GLU A 106 10.633 16.980 9.108 1.00 53.42 O ATOM 0 H GLU A 106 11.167 14.691 10.184 1.00 45.32 H new ATOM 0 HA GLU A 106 11.032 14.532 13.054 1.00 35.44 H new ATOM 0 HB2 GLU A 106 11.937 16.986 12.732 1.00 51.32 H new ATOM 0 HB3 GLU A 106 12.952 15.583 12.465 1.00 51.32 H new ATOM 0 HG2 GLU A 106 13.342 17.243 10.716 1.00 33.11 H new ATOM 0 HG3 GLU A 106 12.651 15.792 10.017 1.00 33.11 H new ATOM 1675 N HIS A 107 8.734 16.245 11.464 1.00 41.40 N ATOM 1676 CA HIS A 107 7.377 16.786 11.600 1.00 11.03 C ATOM 1677 C HIS A 107 6.369 15.608 11.671 1.00 44.25 C ATOM 1678 O HIS A 107 6.102 14.929 10.672 1.00 53.24 O ATOM 1679 CB HIS A 107 7.063 17.799 10.446 1.00 32.01 C ATOM 1680 CG HIS A 107 6.803 17.219 9.067 1.00 15.13 C ATOM 1681 ND1 HIS A 107 5.554 17.206 8.483 1.00 30.31 N ATOM 1682 CD2 HIS A 107 7.625 16.627 8.166 1.00 12.21 C ATOM 1683 CE1 HIS A 107 5.630 16.638 7.297 1.00 74.23 C ATOM 1684 NE2 HIS A 107 6.867 16.281 7.086 1.00 31.14 N ATOM 0 H HIS A 107 9.026 16.108 10.496 1.00 41.40 H new ATOM 0 HA HIS A 107 7.288 17.355 12.526 1.00 11.03 H new ATOM 0 HB2 HIS A 107 6.190 18.383 10.737 1.00 32.01 H new ATOM 0 HB3 HIS A 107 7.900 18.493 10.369 1.00 32.01 H new ATOM 0 HD1 HIS A 107 4.703 17.579 8.904 1.00 30.31 H new ATOM 0 HD2 HIS A 107 8.686 16.460 8.282 1.00 12.21 H new ATOM 0 HE1 HIS A 107 4.806 16.492 6.614 1.00 74.23 H new ATOM 1693 N HIS A 108 5.868 15.320 12.885 1.00 33.44 N ATOM 1694 CA HIS A 108 4.876 14.241 13.105 1.00 14.23 C ATOM 1695 C HIS A 108 3.443 14.756 12.821 1.00 52.22 C ATOM 1696 O HIS A 108 2.619 14.928 13.726 1.00 52.30 O ATOM 1697 CB HIS A 108 5.026 13.594 14.518 1.00 2.35 C ATOM 1698 CG HIS A 108 5.106 14.564 15.676 1.00 32.22 C ATOM 1699 ND1 HIS A 108 4.026 15.280 16.141 1.00 41.32 N ATOM 1700 CD2 HIS A 108 6.152 14.929 16.459 1.00 12.41 C ATOM 1701 CE1 HIS A 108 4.403 16.039 17.146 1.00 75.43 C ATOM 1702 NE2 HIS A 108 5.688 15.844 17.360 1.00 0.03 N ATOM 0 H HIS A 108 6.132 15.819 13.735 1.00 33.44 H new ATOM 0 HA HIS A 108 5.074 13.439 12.394 1.00 14.23 H new ATOM 0 HB2 HIS A 108 4.180 12.927 14.684 1.00 2.35 H new ATOM 0 HB3 HIS A 108 5.924 12.977 14.522 1.00 2.35 H new ATOM 0 HD1 HIS A 108 3.080 15.229 15.764 1.00 41.32 H new ATOM 0 HD2 HIS A 108 7.165 14.563 16.384 1.00 12.41 H new ATOM 0 HE1 HIS A 108 3.766 16.710 17.703 1.00 75.43 H new ATOM 1711 N HIS A 109 3.199 15.030 11.522 1.00 32.44 N ATOM 1712 CA HIS A 109 1.918 15.534 10.972 1.00 44.11 C ATOM 1713 C HIS A 109 2.047 15.586 9.444 1.00 13.24 C ATOM 1714 O HIS A 109 3.104 15.960 8.938 1.00 14.50 O ATOM 1715 CB HIS A 109 1.530 16.933 11.532 1.00 22.34 C ATOM 1716 CG HIS A 109 2.583 18.008 11.371 1.00 54.42 C ATOM 1717 ND1 HIS A 109 2.656 18.846 10.277 1.00 43.12 N ATOM 1718 CD2 HIS A 109 3.597 18.386 12.185 1.00 72.31 C ATOM 1719 CE1 HIS A 109 3.652 19.693 10.439 1.00 74.15 C ATOM 1720 NE2 HIS A 109 4.241 19.435 11.582 1.00 41.12 N ATOM 0 H HIS A 109 3.910 14.903 10.802 1.00 32.44 H new ATOM 0 HA HIS A 109 1.120 14.857 11.275 1.00 44.11 H new ATOM 0 HB2 HIS A 109 0.617 17.264 11.037 1.00 22.34 H new ATOM 0 HB3 HIS A 109 1.298 16.830 12.592 1.00 22.34 H new ATOM 0 HD1 HIS A 109 2.035 18.815 9.468 1.00 43.12 H new ATOM 0 HD2 HIS A 109 3.852 17.942 13.136 1.00 72.31 H new ATOM 0 HE1 HIS A 109 3.936 20.471 9.746 1.00 74.15 H new ATOM 1729 N HIS A 110 0.978 15.207 8.726 1.00 53.20 N ATOM 1730 CA HIS A 110 0.980 15.129 7.249 1.00 14.22 C ATOM 1731 C HIS A 110 1.092 16.532 6.622 1.00 64.34 C ATOM 1732 O HIS A 110 1.868 16.742 5.683 1.00 31.24 O ATOM 1733 CB HIS A 110 -0.289 14.392 6.749 1.00 2.42 C ATOM 1734 CG HIS A 110 -0.325 14.173 5.254 1.00 51.13 C ATOM 1735 ND1 HIS A 110 -1.166 14.863 4.410 1.00 73.13 N ATOM 1736 CD2 HIS A 110 0.376 13.324 4.460 1.00 72.21 C ATOM 1737 CE1 HIS A 110 -0.983 14.452 3.175 1.00 42.13 C ATOM 1738 NE2 HIS A 110 -0.056 13.523 3.178 1.00 33.51 N ATOM 0 H HIS A 110 0.087 14.945 9.148 1.00 53.20 H new ATOM 0 HA HIS A 110 1.854 14.558 6.934 1.00 14.22 H new ATOM 0 HB2 HIS A 110 -0.356 13.426 7.249 1.00 2.42 H new ATOM 0 HB3 HIS A 110 -1.169 14.965 7.043 1.00 2.42 H new ATOM 0 HD2 HIS A 110 1.133 12.623 4.781 1.00 72.21 H new ATOM 0 HE1 HIS A 110 -1.507 14.817 2.304 1.00 42.13 H new ATOM 0 HE2 HIS A 110 0.288 13.028 2.355 1.00 33.51 H new ATOM 1747 N HIS A 111 0.308 17.483 7.158 1.00 43.22 N ATOM 1748 CA HIS A 111 0.373 18.898 6.762 1.00 64.23 C ATOM 1749 C HIS A 111 0.031 19.776 7.978 1.00 4.31 C ATOM 1750 O HIS A 111 0.936 20.322 8.615 1.00 24.31 O ATOM 1751 CB HIS A 111 -0.561 19.190 5.554 1.00 45.01 C ATOM 1752 CG HIS A 111 -0.494 20.619 5.059 1.00 75.32 C ATOM 1753 ND1 HIS A 111 -1.571 21.482 5.059 1.00 44.23 N ATOM 1754 CD2 HIS A 111 0.541 21.327 4.535 1.00 15.40 C ATOM 1755 CE1 HIS A 111 -1.200 22.645 4.562 1.00 61.51 C ATOM 1756 NE2 HIS A 111 0.072 22.578 4.237 1.00 63.25 N ATOM 0 H HIS A 111 -0.388 17.291 7.878 1.00 43.22 H new ATOM 0 HA HIS A 111 1.384 19.135 6.432 1.00 64.23 H new ATOM 0 HB2 HIS A 111 -0.300 18.519 4.735 1.00 45.01 H new ATOM 0 HB3 HIS A 111 -1.588 18.962 5.838 1.00 45.01 H new ATOM 0 HD2 HIS A 111 1.548 20.969 4.382 1.00 15.40 H new ATOM 0 HE1 HIS A 111 -1.836 23.510 4.442 1.00 61.51 H new ATOM 0 HE2 HIS A 111 0.620 23.335 3.829 1.00 63.25 H new ATOM 1765 N HIS A 112 -1.274 19.866 8.312 1.00 30.42 N ATOM 1766 CA HIS A 112 -1.766 20.593 9.500 1.00 52.35 C ATOM 1767 C HIS A 112 -3.291 20.342 9.649 1.00 60.41 C ATOM 1768 O HIS A 112 -4.092 21.040 8.981 1.00 44.02 O ATOM 1769 CB HIS A 112 -1.439 22.119 9.418 1.00 52.25 C ATOM 1770 CG HIS A 112 -1.769 22.896 10.674 1.00 63.20 C ATOM 1771 ND1 HIS A 112 -2.634 23.973 10.702 1.00 54.43 N ATOM 1772 CD2 HIS A 112 -1.323 22.754 11.949 1.00 55.20 C ATOM 1773 CE1 HIS A 112 -2.696 24.453 11.930 1.00 33.12 C ATOM 1774 NE2 HIS A 112 -1.917 23.733 12.704 1.00 61.30 N ATOM 1775 OXT HIS A 112 -3.688 19.433 10.414 1.00 38.66 O ATOM 0 H HIS A 112 -2.018 19.435 7.763 1.00 30.42 H new ATOM 0 HA HIS A 112 -1.254 20.217 10.386 1.00 52.35 H new ATOM 0 HB2 HIS A 112 -0.378 22.240 9.198 1.00 52.25 H new ATOM 0 HB3 HIS A 112 -1.989 22.552 8.582 1.00 52.25 H new ATOM 0 HD2 HIS A 112 -0.628 22.007 12.303 1.00 55.20 H new ATOM 0 HE1 HIS A 112 -3.289 25.298 12.246 1.00 33.12 H new ATOM 0 HE2 HIS A 112 -1.777 23.878 13.704 1.00 61.30 H new TER 1784 HIS A 112