USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 123:sc= 0.276 USER MOD Set 1.2: A 72 TYR OH : rot 122:sc= -1.36! USER MOD Set 2.1: A 35 SER OG : rot 85:sc= 0.807 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 0.685 F(o=-0.31,f=1.5) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -2.77! USER MOD Set 3.2: A 62 THR OG1 : rot -99:sc= 0.269 USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= 0.339 F(o=-1.2,f=1.1) USER MOD Set 4.2: A 14 THR OG1 : rot -59:sc= 0.729 USER MOD Single : A 0 SER N :NH3+ -133:sc= -2.27! (180deg=-4.86!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -0.808 F(o=-1.9!,f=-0.81) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 139:sc= -0.423 (180deg=-1.34!) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0.363 (180deg=0.308) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 137:sc= 0.567 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.185 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -2.39 F(o=-4.4!,f=-2.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.96 K(o=-0.96,f=-4.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.94 K(o=-3.9,f=-9.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -18.2! C(o=-18!,f=-27!) USER MOD Single : A 86 SER OG : rot -119:sc= -0.489 USER MOD Single : A 89 SER OG : rot -140:sc= -0.58 USER MOD Single : A 92 SER OG : rot -111:sc= -1.77! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 180:sc= -6.8! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.235 -3.492 -3.759 1.00 2.05 N ATOM 2 CA SER A 0 -22.875 -4.878 -4.184 1.00 1.55 C ATOM 3 C SER A 0 -21.587 -4.894 -5.005 1.00 1.39 C ATOM 4 O SER A 0 -20.677 -5.678 -4.733 1.00 1.50 O ATOM 5 CB SER A 0 -24.026 -5.468 -5.006 1.00 2.08 C ATOM 6 OG SER A 0 -24.319 -6.793 -4.598 1.00 2.74 O ATOM 0 H1 SER A 0 -23.479 -3.491 -2.748 1.00 2.05 H new ATOM 0 H2 SER A 0 -22.426 -2.858 -3.920 1.00 2.05 H new ATOM 0 H3 SER A 0 -24.051 -3.160 -4.312 1.00 2.05 H new ATOM 0 HA SER A 0 -22.707 -5.480 -3.291 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.913 -4.845 -4.894 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.763 -5.460 -6.064 1.00 2.08 H new ATOM 0 HG SER A 0 -25.058 -7.145 -5.137 1.00 2.74 H new ATOM 12 N PRO A 1 -21.491 -4.024 -6.027 1.00 1.23 N ATOM 13 CA PRO A 1 -20.321 -3.933 -6.892 1.00 1.19 C ATOM 14 C PRO A 1 -19.243 -3.027 -6.304 1.00 1.24 C ATOM 15 O PRO A 1 -18.828 -2.049 -6.925 1.00 2.06 O ATOM 16 CB PRO A 1 -20.882 -3.330 -8.192 1.00 1.18 C ATOM 17 CG PRO A 1 -22.327 -3.020 -7.923 1.00 1.26 C ATOM 18 CD PRO A 1 -22.508 -3.057 -6.432 1.00 1.24 C ATOM 0 HA PRO A 1 -19.838 -4.900 -7.032 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.336 -2.428 -8.470 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.782 -4.031 -9.021 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.593 -2.041 -8.321 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.976 -3.748 -8.409 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.346 -2.080 -5.977 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.511 -3.378 -6.150 1.00 1.24 H new ATOM 26 N ILE A 2 -18.793 -3.360 -5.098 1.00 0.68 N ATOM 27 CA ILE A 2 -17.763 -2.582 -4.414 1.00 0.61 C ATOM 28 C ILE A 2 -16.622 -2.208 -5.360 1.00 0.57 C ATOM 29 O ILE A 2 -16.305 -2.947 -6.293 1.00 0.63 O ATOM 30 CB ILE A 2 -17.199 -3.359 -3.206 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.066 -2.575 -2.532 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.720 -4.735 -3.648 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.293 -3.375 -1.505 1.00 0.56 C ATOM 0 H ILE A 2 -19.127 -4.167 -4.571 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.235 -1.665 -4.061 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.995 -3.487 -2.473 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.376 -2.222 -3.298 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.485 -1.692 -2.050 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.324 -5.276 -2.789 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.555 -5.292 -4.073 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.938 -4.624 -4.399 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.510 -2.752 -1.073 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.970 -3.705 -0.717 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.843 -4.244 -1.985 1.00 0.56 H new ATOM 45 N ASP A 3 -16.010 -1.053 -5.107 1.00 0.55 N ATOM 46 CA ASP A 3 -14.903 -0.573 -5.929 1.00 0.54 C ATOM 47 C ASP A 3 -13.687 -0.245 -5.063 1.00 0.47 C ATOM 48 O ASP A 3 -13.801 0.484 -4.077 1.00 0.49 O ATOM 49 CB ASP A 3 -15.327 0.671 -6.711 1.00 0.61 C ATOM 50 CG ASP A 3 -14.409 0.957 -7.884 1.00 1.15 C ATOM 51 OD1 ASP A 3 -13.242 1.334 -7.646 1.00 1.64 O ATOM 52 OD2 ASP A 3 -14.856 0.804 -9.039 1.00 2.00 O ATOM 0 H ASP A 3 -16.263 -0.432 -4.338 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.632 -1.364 -6.628 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.346 0.539 -7.074 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.336 1.532 -6.042 1.00 0.61 H new ATOM 57 N PRO A 4 -12.501 -0.774 -5.416 1.00 0.44 N ATOM 58 CA PRO A 4 -11.274 -0.527 -4.659 1.00 0.41 C ATOM 59 C PRO A 4 -10.651 0.827 -4.992 1.00 0.38 C ATOM 60 O PRO A 4 -11.092 1.514 -5.915 1.00 0.43 O ATOM 61 CB PRO A 4 -10.362 -1.662 -5.110 1.00 0.45 C ATOM 62 CG PRO A 4 -10.776 -1.924 -6.517 1.00 0.50 C ATOM 63 CD PRO A 4 -12.260 -1.656 -6.576 1.00 0.50 C ATOM 0 HA PRO A 4 -11.449 -0.499 -3.583 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.312 -1.377 -5.050 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.488 -2.547 -4.486 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.236 -1.277 -7.209 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.554 -2.952 -6.803 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.543 -1.174 -7.512 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.837 -2.578 -6.505 1.00 0.50 H new ATOM 71 N PRO A 5 -9.617 1.231 -4.237 1.00 0.37 N ATOM 72 CA PRO A 5 -8.935 2.513 -4.444 1.00 0.39 C ATOM 73 C PRO A 5 -8.178 2.583 -5.763 1.00 0.38 C ATOM 74 O PRO A 5 -8.249 1.673 -6.590 1.00 0.47 O ATOM 75 CB PRO A 5 -7.954 2.604 -3.267 1.00 0.46 C ATOM 76 CG PRO A 5 -8.409 1.570 -2.295 1.00 0.71 C ATOM 77 CD PRO A 5 -9.035 0.483 -3.115 1.00 0.43 C ATOM 0 HA PRO A 5 -9.651 3.333 -4.488 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.931 2.415 -3.592 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.968 3.598 -2.819 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.572 1.187 -1.712 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.125 1.987 -1.587 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.299 -0.247 -3.452 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.793 -0.064 -2.554 1.00 0.43 H new ATOM 85 N GLY A 6 -7.455 3.681 -5.947 1.00 0.37 N ATOM 86 CA GLY A 6 -6.686 3.879 -7.165 1.00 0.39 C ATOM 87 C GLY A 6 -5.303 3.256 -7.097 1.00 0.42 C ATOM 88 O GLY A 6 -4.948 2.624 -6.102 1.00 0.66 O ATOM 0 H GLY A 6 -7.386 4.442 -5.272 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.231 3.451 -8.007 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.589 4.947 -7.358 1.00 0.39 H new ATOM 92 N LYS A 7 -4.522 3.435 -8.160 1.00 0.41 N ATOM 93 CA LYS A 7 -3.168 2.890 -8.221 1.00 0.44 C ATOM 94 C LYS A 7 -2.261 3.582 -7.203 1.00 0.37 C ATOM 95 O LYS A 7 -2.019 4.785 -7.301 1.00 0.42 O ATOM 96 CB LYS A 7 -2.593 3.064 -9.630 1.00 0.54 C ATOM 97 CG LYS A 7 -1.590 1.991 -10.015 1.00 0.64 C ATOM 98 CD LYS A 7 -0.189 2.331 -9.531 1.00 1.01 C ATOM 99 CE LYS A 7 0.857 2.040 -10.596 1.00 0.95 C ATOM 100 NZ LYS A 7 1.708 3.229 -10.877 1.00 1.52 N ATOM 0 H LYS A 7 -4.804 3.954 -8.992 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.215 1.828 -7.981 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.411 3.060 -10.350 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.113 4.040 -9.699 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.899 1.035 -9.592 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.582 1.872 -11.098 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.145 3.384 -9.255 1.00 1.01 H new ATOM 0 HD3 LYS A 7 0.036 1.756 -8.633 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.486 1.212 -10.270 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.362 1.722 -11.514 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.408 2.990 -11.608 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.111 4.012 -11.212 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.200 3.517 -10.007 1.00 1.52 H new ATOM 114 N PRO A 8 -1.740 2.838 -6.207 1.00 0.34 N ATOM 115 CA PRO A 8 -0.856 3.402 -5.176 1.00 0.32 C ATOM 116 C PRO A 8 0.440 3.947 -5.759 1.00 0.33 C ATOM 117 O PRO A 8 0.997 3.382 -6.701 1.00 0.44 O ATOM 118 CB PRO A 8 -0.584 2.210 -4.246 1.00 0.39 C ATOM 119 CG PRO A 8 -1.707 1.271 -4.518 1.00 0.44 C ATOM 120 CD PRO A 8 -1.957 1.398 -5.991 1.00 0.41 C ATOM 0 HA PRO A 8 -1.310 4.253 -4.668 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.381 1.750 -4.460 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.566 2.517 -3.200 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.443 0.249 -4.247 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.593 1.535 -3.941 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.270 0.788 -6.577 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.967 1.091 -6.263 1.00 0.41 H new ATOM 128 N VAL A 9 0.911 5.057 -5.199 1.00 0.34 N ATOM 129 CA VAL A 9 2.136 5.685 -5.672 1.00 0.38 C ATOM 130 C VAL A 9 2.924 6.336 -4.531 1.00 0.34 C ATOM 131 O VAL A 9 2.552 7.404 -4.039 1.00 0.35 O ATOM 132 CB VAL A 9 1.832 6.751 -6.743 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.015 7.895 -6.158 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.125 7.267 -7.359 1.00 0.53 C ATOM 0 H VAL A 9 0.463 5.538 -4.419 1.00 0.34 H new ATOM 0 HA VAL A 9 2.744 4.891 -6.106 1.00 0.38 H new ATOM 0 HB VAL A 9 1.237 6.286 -7.529 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.814 8.633 -6.935 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.072 7.508 -5.772 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.573 8.364 -5.348 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.894 8.019 -8.113 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.746 7.712 -6.582 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.662 6.440 -7.824 1.00 0.53 H new ATOM 144 N PRO A 10 4.025 5.699 -4.091 1.00 0.34 N ATOM 145 CA PRO A 10 4.854 6.221 -3.011 1.00 0.32 C ATOM 146 C PRO A 10 5.245 7.689 -3.220 1.00 0.37 C ATOM 147 O PRO A 10 6.005 8.004 -4.135 1.00 0.64 O ATOM 148 CB PRO A 10 6.100 5.353 -3.045 1.00 0.38 C ATOM 149 CG PRO A 10 5.660 4.073 -3.666 1.00 0.39 C ATOM 150 CD PRO A 10 4.533 4.417 -4.600 1.00 0.42 C ATOM 0 HA PRO A 10 4.319 6.192 -2.062 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.893 5.823 -3.628 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.495 5.190 -2.042 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.481 3.601 -4.206 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.331 3.366 -2.905 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.881 4.506 -5.629 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.759 3.649 -4.591 1.00 0.42 H new ATOM 158 N LEU A 11 4.745 8.583 -2.367 1.00 0.34 N ATOM 159 CA LEU A 11 5.075 9.998 -2.469 1.00 0.43 C ATOM 160 C LEU A 11 6.559 10.171 -2.225 1.00 0.43 C ATOM 161 O LEU A 11 7.262 10.858 -2.967 1.00 0.57 O ATOM 162 CB LEU A 11 4.295 10.801 -1.424 1.00 0.56 C ATOM 163 CG LEU A 11 2.943 11.376 -1.867 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.285 10.511 -2.937 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.032 11.512 -0.659 1.00 1.12 C ATOM 0 H LEU A 11 4.112 8.350 -1.601 1.00 0.34 H new ATOM 0 HA LEU A 11 4.809 10.360 -3.462 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.125 10.160 -0.559 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.923 11.627 -1.090 1.00 0.56 H new ATOM 0 HG LEU A 11 3.116 12.358 -2.307 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.330 10.951 -3.224 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.936 10.454 -3.810 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.118 9.509 -2.543 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.071 11.920 -0.972 1.00 1.12 H new ATOM 0 HD22 LEU A 11 1.880 10.532 -0.206 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.491 12.181 0.069 1.00 1.12 H new ATOM 177 N ASN A 12 7.018 9.511 -1.175 1.00 0.34 N ATOM 178 CA ASN A 12 8.414 9.532 -0.788 1.00 0.36 C ATOM 179 C ASN A 12 8.878 8.101 -0.600 1.00 0.37 C ATOM 180 O ASN A 12 8.077 7.227 -0.275 1.00 0.58 O ATOM 181 CB ASN A 12 8.606 10.329 0.503 1.00 0.42 C ATOM 182 CG ASN A 12 10.061 10.669 0.763 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.837 9.672 1.174 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.480 11.814 0.599 1.00 0.71 N flip ATOM 0 H ASN A 12 6.428 8.944 -0.566 1.00 0.34 H new ATOM 0 HA ASN A 12 9.004 10.017 -1.566 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.025 11.250 0.448 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.214 9.755 1.343 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.847 12.548 0.282 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.460 12.029 0.780 1.00 0.71 H new ATOM 191 N ILE A 13 10.150 7.844 -0.820 1.00 0.38 N ATOM 192 CA ILE A 13 10.660 6.497 -0.679 1.00 0.43 C ATOM 193 C ILE A 13 12.063 6.489 -0.092 1.00 0.53 C ATOM 194 O ILE A 13 13.037 6.178 -0.777 1.00 0.75 O ATOM 195 CB ILE A 13 10.644 5.783 -2.033 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.301 6.664 -3.096 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.202 5.454 -2.411 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.115 6.152 -4.502 1.00 0.96 C ATOM 0 H ILE A 13 10.843 8.541 -1.094 1.00 0.38 H new ATOM 0 HA ILE A 13 10.009 5.963 0.014 1.00 0.43 H new ATOM 0 HB ILE A 13 11.211 4.854 -1.967 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.889 7.671 -3.027 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.367 6.741 -2.884 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.186 4.945 -3.375 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.765 4.806 -1.651 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.624 6.376 -2.477 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.607 6.826 -5.203 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.552 5.157 -4.588 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.051 6.102 -4.733 1.00 0.96 H new ATOM 210 N THR A 14 12.152 6.833 1.190 1.00 0.59 N ATOM 211 CA THR A 14 13.430 6.867 1.885 1.00 0.71 C ATOM 212 C THR A 14 13.935 5.455 2.139 1.00 0.79 C ATOM 213 O THR A 14 13.146 4.533 2.344 1.00 1.46 O ATOM 214 CB THR A 14 13.297 7.628 3.206 1.00 0.75 C ATOM 215 OG1 THR A 14 11.993 8.163 3.347 1.00 0.69 O ATOM 216 CG2 THR A 14 14.279 8.772 3.340 1.00 0.94 C ATOM 0 H THR A 14 11.352 7.092 1.767 1.00 0.59 H new ATOM 0 HA THR A 14 14.152 7.385 1.255 1.00 0.71 H new ATOM 0 HB THR A 14 13.510 6.895 3.984 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.802 8.762 2.596 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.130 9.269 4.299 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.297 8.386 3.285 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.118 9.486 2.533 1.00 0.94 H new ATOM 224 N ARG A 15 15.253 5.292 2.111 1.00 0.66 N ATOM 225 CA ARG A 15 15.873 3.986 2.326 1.00 0.67 C ATOM 226 C ARG A 15 15.654 3.461 3.758 1.00 0.71 C ATOM 227 O ARG A 15 16.594 3.217 4.507 1.00 1.19 O ATOM 228 CB ARG A 15 17.365 4.030 1.961 1.00 0.80 C ATOM 229 CG ARG A 15 18.260 4.764 2.949 1.00 0.96 C ATOM 230 CD ARG A 15 17.834 6.205 3.161 1.00 1.13 C ATOM 231 NE ARG A 15 18.817 6.955 3.936 1.00 1.43 N ATOM 232 CZ ARG A 15 18.994 6.804 5.244 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.256 5.934 5.919 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.909 7.524 5.877 1.00 1.90 N ATOM 0 H ARG A 15 15.916 6.049 1.941 1.00 0.66 H new ATOM 0 HA ARG A 15 15.379 3.277 1.662 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.727 3.007 1.861 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.468 4.502 0.984 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.246 4.240 3.905 1.00 0.96 H new ATOM 0 HG3 ARG A 15 19.288 4.742 2.588 1.00 0.96 H new ATOM 0 HD2 ARG A 15 17.690 6.687 2.194 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.873 6.228 3.675 1.00 1.13 H new ATOM 0 HE ARG A 15 19.401 7.633 3.446 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.551 5.379 5.434 1.00 2.42 H new ATOM 0 HH12 ARG A 15 18.393 5.819 6.923 1.00 2.42 H new ATOM 0 HH21 ARG A 15 20.478 8.195 5.360 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.044 7.408 6.881 1.00 1.90 H new ATOM 248 N HIS A 16 14.390 3.269 4.115 1.00 0.50 N ATOM 249 CA HIS A 16 14.011 2.756 5.433 1.00 0.54 C ATOM 250 C HIS A 16 12.513 2.924 5.661 1.00 0.57 C ATOM 251 O HIS A 16 11.890 2.137 6.375 1.00 0.97 O ATOM 252 CB HIS A 16 14.805 3.450 6.542 1.00 0.67 C ATOM 253 CG HIS A 16 15.812 2.552 7.190 1.00 0.68 C ATOM 254 ND1 HIS A 16 17.157 2.476 7.019 1.00 0.97 N flip ATOM 255 CD2 HIS A 16 15.493 1.589 8.121 1.00 0.78 C flip ATOM 256 CE1 HIS A 16 17.665 1.473 7.840 1.00 1.02 C flip ATOM 257 NE2 HIS A 16 16.627 0.972 8.480 1.00 0.86 N flip ATOM 0 H HIS A 16 13.597 3.463 3.503 1.00 0.50 H new ATOM 0 HA HIS A 16 14.249 1.693 5.463 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.315 4.319 6.127 1.00 0.67 H new ATOM 0 HB3 HIS A 16 14.114 3.818 7.300 1.00 0.67 H new ATOM 0 HD1 HIS A 16 17.707 3.060 6.390 1.00 0.97 H new ATOM 0 HD2 HIS A 16 14.504 1.370 8.496 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.697 1.168 7.933 1.00 1.02 H new ATOM 265 N THR A 17 11.939 3.946 5.038 1.00 0.43 N ATOM 266 CA THR A 17 10.512 4.221 5.150 1.00 0.42 C ATOM 267 C THR A 17 10.002 4.800 3.837 1.00 0.38 C ATOM 268 O THR A 17 10.551 5.780 3.328 1.00 0.56 O ATOM 269 CB THR A 17 10.235 5.191 6.298 1.00 0.56 C ATOM 270 OG1 THR A 17 11.383 5.969 6.586 1.00 0.65 O ATOM 271 CG2 THR A 17 9.818 4.497 7.577 1.00 0.68 C ATOM 0 H THR A 17 12.445 4.603 4.445 1.00 0.43 H new ATOM 0 HA THR A 17 9.989 3.288 5.362 1.00 0.42 H new ATOM 0 HB THR A 17 9.411 5.817 5.956 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.185 6.585 7.322 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.636 5.241 8.352 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.906 3.927 7.401 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.611 3.823 7.900 1.00 0.68 H new ATOM 279 N VAL A 18 8.964 4.191 3.276 1.00 0.27 N ATOM 280 CA VAL A 18 8.418 4.665 2.011 1.00 0.33 C ATOM 281 C VAL A 18 6.972 5.156 2.152 1.00 0.32 C ATOM 282 O VAL A 18 6.087 4.395 2.539 1.00 0.51 O ATOM 283 CB VAL A 18 8.500 3.576 0.908 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.881 2.916 0.859 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.403 2.543 1.045 1.00 0.80 C ATOM 0 H VAL A 18 8.489 3.379 3.671 1.00 0.27 H new ATOM 0 HA VAL A 18 9.036 5.512 1.712 1.00 0.33 H new ATOM 0 HB VAL A 18 8.347 4.086 -0.043 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.895 2.160 0.074 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.638 3.672 0.649 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.094 2.446 1.819 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.500 1.801 0.252 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.486 2.051 2.014 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.432 3.031 0.968 1.00 0.80 H new ATOM 295 N THR A 19 6.736 6.427 1.823 1.00 0.27 N ATOM 296 CA THR A 19 5.391 6.992 1.906 1.00 0.24 C ATOM 297 C THR A 19 4.659 6.844 0.584 1.00 0.22 C ATOM 298 O THR A 19 5.267 6.987 -0.472 1.00 0.34 O ATOM 299 CB THR A 19 5.405 8.465 2.282 1.00 0.28 C ATOM 300 OG1 THR A 19 6.003 8.666 3.550 1.00 0.35 O ATOM 301 CG2 THR A 19 4.009 9.041 2.321 1.00 0.32 C ATOM 0 H THR A 19 7.452 7.078 1.500 1.00 0.27 H new ATOM 0 HA THR A 19 4.876 6.434 2.688 1.00 0.24 H new ATOM 0 HB THR A 19 5.988 8.973 1.514 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.000 9.622 3.765 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.058 10.095 2.593 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.546 8.941 1.339 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.414 8.503 3.059 1.00 0.32 H new ATOM 309 N LEU A 20 3.351 6.564 0.667 1.00 0.28 N ATOM 310 CA LEU A 20 2.515 6.385 -0.521 1.00 0.26 C ATOM 311 C LEU A 20 1.132 7.002 -0.373 1.00 0.28 C ATOM 312 O LEU A 20 0.616 7.184 0.734 1.00 0.40 O ATOM 313 CB LEU A 20 2.378 4.900 -0.854 1.00 0.33 C ATOM 314 CG LEU A 20 2.771 3.954 0.276 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.802 2.799 0.370 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.194 3.484 0.065 1.00 0.50 C ATOM 0 H LEU A 20 2.851 6.457 1.549 1.00 0.28 H new ATOM 0 HA LEU A 20 3.018 6.908 -1.334 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.344 4.699 -1.135 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.994 4.679 -1.725 1.00 0.33 H new ATOM 0 HG LEU A 20 2.723 4.483 1.228 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.102 2.137 1.183 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.799 3.180 0.564 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.804 2.245 -0.569 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.477 2.808 0.872 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.267 2.962 -0.889 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.864 4.344 0.060 1.00 0.50 H new ATOM 328 N LYS A 21 0.545 7.310 -1.523 1.00 0.25 N ATOM 329 CA LYS A 21 -0.786 7.903 -1.594 1.00 0.31 C ATOM 330 C LYS A 21 -1.515 7.378 -2.828 1.00 0.31 C ATOM 331 O LYS A 21 -0.883 6.899 -3.768 1.00 0.51 O ATOM 332 CB LYS A 21 -0.681 9.432 -1.648 1.00 0.40 C ATOM 333 CG LYS A 21 -1.976 10.133 -2.032 1.00 0.81 C ATOM 334 CD LYS A 21 -3.017 10.013 -0.934 1.00 0.95 C ATOM 335 CE LYS A 21 -2.956 11.200 0.013 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.045 12.498 -0.713 1.00 1.84 N ATOM 0 H LYS A 21 0.978 7.156 -2.434 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.350 7.627 -0.703 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.358 9.797 -0.673 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.094 9.707 -2.364 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.776 11.186 -2.233 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.366 9.701 -2.954 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -4.011 9.948 -1.377 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.856 9.091 -0.376 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.771 11.131 0.734 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.025 11.164 0.580 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.656 13.151 -0.183 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.095 12.910 -0.804 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.446 12.340 -1.659 1.00 1.84 H new ATOM 350 N TRP A 22 -2.841 7.463 -2.827 1.00 0.25 N ATOM 351 CA TRP A 22 -3.618 6.984 -3.962 1.00 0.24 C ATOM 352 C TRP A 22 -4.975 7.669 -4.057 1.00 0.24 C ATOM 353 O TRP A 22 -5.289 8.570 -3.279 1.00 0.40 O ATOM 354 CB TRP A 22 -3.800 5.472 -3.883 1.00 0.27 C ATOM 355 CG TRP A 22 -4.461 4.987 -2.634 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.778 4.675 -2.474 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.832 4.739 -1.374 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.008 4.251 -1.189 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.829 4.284 -0.493 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.523 4.862 -0.905 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.557 3.949 0.832 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.253 4.529 0.408 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.266 4.078 1.263 1.00 0.32 C ATOM 0 H TRP A 22 -3.393 7.854 -2.064 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.059 7.234 -4.864 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.389 5.145 -4.740 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.823 4.997 -3.969 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.530 4.750 -3.245 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.910 3.959 -0.814 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.736 5.211 -1.557 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.337 3.601 1.493 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.244 4.618 0.781 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -3.022 3.827 2.285 1.00 0.32 H new ATOM 374 N ALA A 23 -5.772 7.231 -5.026 1.00 0.31 N ATOM 375 CA ALA A 23 -7.096 7.791 -5.248 1.00 0.33 C ATOM 376 C ALA A 23 -8.176 6.979 -4.544 1.00 0.36 C ATOM 377 O ALA A 23 -8.203 5.751 -4.633 1.00 0.83 O ATOM 378 CB ALA A 23 -7.385 7.860 -6.740 1.00 0.36 C ATOM 0 H ALA A 23 -5.519 6.484 -5.673 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.109 8.796 -4.826 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.378 8.280 -6.899 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.641 8.492 -7.226 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.343 6.857 -7.166 1.00 0.36 H new ATOM 384 N LYS A 24 -9.071 7.676 -3.852 1.00 0.59 N ATOM 385 CA LYS A 24 -10.167 7.027 -3.141 1.00 0.61 C ATOM 386 C LYS A 24 -11.174 6.474 -4.144 1.00 0.59 C ATOM 387 O LYS A 24 -11.451 7.110 -5.161 1.00 0.69 O ATOM 388 CB LYS A 24 -10.854 8.033 -2.211 1.00 0.74 C ATOM 389 CG LYS A 24 -11.580 7.398 -1.036 1.00 1.21 C ATOM 390 CD LYS A 24 -12.975 6.929 -1.427 1.00 1.22 C ATOM 391 CE LYS A 24 -13.984 8.063 -1.363 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.219 7.755 -2.137 1.00 2.11 N ATOM 0 H LYS A 24 -9.059 8.692 -3.768 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.770 6.207 -2.543 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.106 8.728 -1.829 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.567 8.619 -2.791 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.002 6.552 -0.664 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.653 8.117 -0.220 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.952 6.518 -2.436 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.289 6.124 -0.762 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.247 8.256 -0.323 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.530 8.975 -1.752 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.797 8.615 -2.224 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.959 7.415 -3.085 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.764 7.020 -1.643 1.00 2.11 H new ATOM 406 N PRO A 25 -11.746 5.290 -3.880 1.00 0.56 N ATOM 407 CA PRO A 25 -12.726 4.684 -4.778 1.00 0.63 C ATOM 408 C PRO A 25 -13.807 5.682 -5.178 1.00 0.75 C ATOM 409 O PRO A 25 -13.819 6.817 -4.700 1.00 0.89 O ATOM 410 CB PRO A 25 -13.322 3.530 -3.957 1.00 0.63 C ATOM 411 CG PRO A 25 -12.790 3.699 -2.569 1.00 0.71 C ATOM 412 CD PRO A 25 -11.500 4.456 -2.700 1.00 0.58 C ATOM 0 HA PRO A 25 -12.277 4.348 -5.713 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.411 3.566 -3.965 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.032 2.565 -4.372 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.499 4.244 -1.945 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.626 2.731 -2.095 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.289 5.056 -1.815 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.650 3.789 -2.843 1.00 0.58 H new ATOM 420 N GLU A 26 -14.707 5.265 -6.059 1.00 0.85 N ATOM 421 CA GLU A 26 -15.776 6.145 -6.520 1.00 1.05 C ATOM 422 C GLU A 26 -17.161 5.548 -6.284 1.00 0.95 C ATOM 423 O GLU A 26 -18.143 6.281 -6.166 1.00 1.12 O ATOM 424 CB GLU A 26 -15.596 6.460 -8.005 1.00 1.29 C ATOM 425 CG GLU A 26 -14.635 7.608 -8.270 1.00 1.83 C ATOM 426 CD GLU A 26 -15.111 8.522 -9.383 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.212 8.279 -9.921 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.383 9.480 -9.715 1.00 2.77 O ATOM 0 H GLU A 26 -14.720 4.330 -6.467 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.710 7.063 -5.936 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.234 5.568 -8.516 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.567 6.702 -8.437 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.509 8.189 -7.357 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.656 7.205 -8.529 1.00 1.83 H new ATOM 435 N TYR A 27 -17.248 4.223 -6.220 1.00 0.85 N ATOM 436 CA TYR A 27 -18.533 3.569 -6.006 1.00 0.84 C ATOM 437 C TYR A 27 -18.660 3.007 -4.594 1.00 0.86 C ATOM 438 O TYR A 27 -19.428 3.522 -3.781 1.00 1.37 O ATOM 439 CB TYR A 27 -18.747 2.455 -7.032 1.00 0.86 C ATOM 440 CG TYR A 27 -20.207 2.161 -7.302 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.008 3.081 -7.968 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.785 0.967 -6.888 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.341 2.820 -8.214 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.118 0.698 -7.131 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.892 1.628 -7.795 1.00 1.19 C ATOM 446 OH TYR A 27 -24.220 1.366 -8.040 1.00 1.35 O ATOM 0 H TYR A 27 -16.455 3.588 -6.312 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.304 4.329 -6.133 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.261 2.734 -7.967 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.260 1.546 -6.678 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.580 4.016 -8.299 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.182 0.237 -6.368 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.949 3.546 -8.732 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.552 -0.235 -6.803 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.451 0.484 -7.682 1.00 1.35 H new ATOM 456 N THR A 28 -17.916 1.943 -4.306 1.00 0.65 N ATOM 457 CA THR A 28 -17.968 1.313 -2.991 1.00 0.61 C ATOM 458 C THR A 28 -19.409 1.000 -2.610 1.00 0.66 C ATOM 459 O THR A 28 -19.812 1.199 -1.466 1.00 0.81 O ATOM 460 CB THR A 28 -17.341 2.212 -1.925 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.270 3.181 -1.473 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.112 2.945 -2.403 1.00 0.79 C ATOM 0 H THR A 28 -17.273 1.501 -4.962 1.00 0.65 H new ATOM 0 HA THR A 28 -17.398 0.385 -3.044 1.00 0.61 H new ATOM 0 HB THR A 28 -17.050 1.538 -1.120 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.212 3.260 -0.498 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.720 3.563 -1.596 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.354 2.224 -2.708 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.373 3.578 -3.251 1.00 0.79 H new ATOM 470 N GLY A 29 -20.180 0.517 -3.582 1.00 0.75 N ATOM 471 CA GLY A 29 -21.572 0.187 -3.334 1.00 0.80 C ATOM 472 C GLY A 29 -22.305 1.299 -2.599 1.00 0.85 C ATOM 473 O GLY A 29 -22.839 2.219 -3.220 1.00 1.01 O ATOM 0 H GLY A 29 -19.864 0.349 -4.537 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.071 -0.010 -4.283 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.627 -0.731 -2.749 1.00 0.80 H new ATOM 477 N GLY A 30 -22.315 1.217 -1.275 1.00 0.83 N ATOM 478 CA GLY A 30 -22.964 2.224 -0.456 1.00 0.89 C ATOM 479 C GLY A 30 -22.230 2.378 0.855 1.00 0.85 C ATOM 480 O GLY A 30 -22.835 2.588 1.907 1.00 0.98 O ATOM 0 H GLY A 30 -21.879 0.461 -0.747 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.984 3.177 -0.985 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.000 1.941 -0.271 1.00 0.89 H new ATOM 484 N PHE A 31 -20.912 2.241 0.777 1.00 0.73 N ATOM 485 CA PHE A 31 -20.044 2.324 1.941 1.00 0.69 C ATOM 486 C PHE A 31 -19.070 3.493 1.834 1.00 0.67 C ATOM 487 O PHE A 31 -18.976 4.146 0.795 1.00 0.74 O ATOM 488 CB PHE A 31 -19.261 1.011 2.081 1.00 0.63 C ATOM 489 CG PHE A 31 -19.945 -0.176 1.451 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.100 -0.710 2.005 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.421 -0.763 0.311 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.717 -1.805 1.429 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.034 -1.857 -0.267 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.230 -2.349 0.287 1.00 0.83 C ATOM 0 H PHE A 31 -20.416 2.069 -0.097 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.667 2.489 2.820 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.278 1.135 1.627 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.100 0.806 3.139 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.521 -0.266 2.895 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.522 -0.360 -0.131 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.595 -2.231 1.893 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.600 -2.330 -1.135 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.758 -3.158 -0.196 1.00 0.83 H new ATOM 504 N LYS A 32 -18.345 3.745 2.920 1.00 0.68 N ATOM 505 CA LYS A 32 -17.371 4.829 2.962 1.00 0.72 C ATOM 506 C LYS A 32 -15.978 4.318 3.339 1.00 0.66 C ATOM 507 O LYS A 32 -15.017 5.087 3.362 1.00 0.74 O ATOM 508 CB LYS A 32 -17.814 5.898 3.962 1.00 0.86 C ATOM 509 CG LYS A 32 -17.057 7.210 3.830 1.00 1.38 C ATOM 510 CD LYS A 32 -17.022 7.970 5.145 1.00 1.38 C ATOM 511 CE LYS A 32 -15.762 7.656 5.936 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.793 8.269 7.293 1.00 2.26 N ATOM 0 H LYS A 32 -18.415 3.210 3.786 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.316 5.263 1.963 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.879 6.088 3.829 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.683 5.513 4.973 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.038 7.011 3.497 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.528 7.827 3.065 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.072 9.041 4.949 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.899 7.713 5.739 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.650 6.576 6.028 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.891 8.021 5.392 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.917 8.032 7.801 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.874 9.302 7.205 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.610 7.901 7.821 1.00 2.26 H new ATOM 526 N ILE A 33 -15.866 3.023 3.636 1.00 0.67 N ATOM 527 CA ILE A 33 -14.583 2.441 4.009 1.00 0.66 C ATOM 528 C ILE A 33 -14.079 3.050 5.315 1.00 0.80 C ATOM 529 O ILE A 33 -14.463 4.164 5.673 1.00 1.71 O ATOM 530 CB ILE A 33 -13.534 2.653 2.900 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.036 2.051 1.583 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.202 2.043 3.309 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.988 1.982 0.494 1.00 0.91 C ATOM 0 H ILE A 33 -16.644 2.364 3.625 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.732 1.370 4.146 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.382 3.722 2.752 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.411 1.046 1.775 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.879 2.642 1.224 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.471 2.200 2.516 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.851 2.517 4.226 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.328 0.974 3.479 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.424 1.544 -0.404 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.629 2.987 0.270 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.154 1.366 0.830 1.00 0.91 H new ATOM 545 N THR A 34 -13.230 2.319 6.035 1.00 0.72 N ATOM 546 CA THR A 34 -12.701 2.812 7.304 1.00 0.73 C ATOM 547 C THR A 34 -11.217 2.485 7.486 1.00 0.59 C ATOM 548 O THR A 34 -10.665 2.698 8.566 1.00 0.76 O ATOM 549 CB THR A 34 -13.502 2.225 8.471 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.063 0.914 8.774 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.990 2.162 8.206 1.00 1.15 C ATOM 0 H THR A 34 -12.897 1.393 5.765 1.00 0.72 H new ATOM 0 HA THR A 34 -12.799 3.897 7.290 1.00 0.73 H new ATOM 0 HB THR A 34 -13.328 2.902 9.307 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.586 0.559 9.523 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.496 1.737 9.073 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.370 3.167 8.021 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.178 1.537 7.333 1.00 1.15 H new ATOM 559 N SER A 35 -10.568 1.970 6.443 1.00 0.49 N ATOM 560 CA SER A 35 -9.149 1.630 6.535 1.00 0.47 C ATOM 561 C SER A 35 -8.624 1.023 5.239 1.00 0.45 C ATOM 562 O SER A 35 -9.357 0.354 4.515 1.00 0.72 O ATOM 563 CB SER A 35 -8.920 0.641 7.675 1.00 0.64 C ATOM 564 OG SER A 35 -7.760 0.973 8.419 1.00 1.58 O ATOM 0 H SER A 35 -10.995 1.781 5.536 1.00 0.49 H new ATOM 0 HA SER A 35 -8.607 2.556 6.724 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.788 0.635 8.334 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.820 -0.366 7.271 1.00 0.64 H new ATOM 0 HG SER A 35 -7.989 1.637 9.103 1.00 1.58 H new ATOM 570 N TYR A 36 -7.341 1.254 4.964 1.00 0.27 N ATOM 571 CA TYR A 36 -6.699 0.726 3.769 1.00 0.28 C ATOM 572 C TYR A 36 -5.440 -0.050 4.149 1.00 0.33 C ATOM 573 O TYR A 36 -4.517 0.503 4.747 1.00 0.68 O ATOM 574 CB TYR A 36 -6.345 1.863 2.813 1.00 0.29 C ATOM 575 CG TYR A 36 -7.536 2.676 2.360 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.320 3.360 3.277 1.00 0.57 C ATOM 577 CD2 TYR A 36 -7.874 2.759 1.015 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.411 4.103 2.869 1.00 0.67 C ATOM 579 CE2 TYR A 36 -8.962 3.500 0.598 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.727 4.169 1.523 1.00 0.60 C ATOM 581 OH TYR A 36 -10.812 4.912 1.117 1.00 0.76 O ATOM 0 H TYR A 36 -6.725 1.808 5.559 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.393 0.050 3.269 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.630 2.525 3.301 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.848 1.446 1.937 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.074 3.311 4.327 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.276 2.235 0.284 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -10.013 4.629 3.595 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.211 3.554 -0.452 1.00 0.64 H new ATOM 0 HH TYR A 36 -10.947 5.660 1.736 1.00 0.76 H new ATOM 591 N ILE A 37 -5.407 -1.334 3.809 1.00 0.24 N ATOM 592 CA ILE A 37 -4.256 -2.176 4.130 1.00 0.26 C ATOM 593 C ILE A 37 -3.364 -2.388 2.914 1.00 0.33 C ATOM 594 O ILE A 37 -3.780 -2.990 1.928 1.00 0.70 O ATOM 595 CB ILE A 37 -4.678 -3.565 4.670 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.058 -3.515 5.341 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.632 -4.091 5.642 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.055 -2.865 6.706 1.00 1.14 C ATOM 0 H ILE A 37 -6.159 -1.814 3.314 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.706 -1.643 4.906 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.749 -4.246 3.822 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.746 -2.972 4.693 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.442 -4.531 5.434 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.940 -5.068 6.015 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.674 -4.183 5.131 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.532 -3.399 6.478 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.066 -2.869 7.113 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.394 -3.420 7.372 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.703 -1.837 6.619 1.00 1.14 H new ATOM 610 N VAL A 38 -2.129 -1.898 2.987 1.00 0.36 N ATOM 611 CA VAL A 38 -1.190 -2.053 1.883 1.00 0.42 C ATOM 612 C VAL A 38 -0.123 -3.094 2.224 1.00 0.35 C ATOM 613 O VAL A 38 0.803 -2.833 2.993 1.00 0.48 O ATOM 614 CB VAL A 38 -0.556 -0.686 1.446 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.592 0.329 2.573 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.856 -0.829 0.890 1.00 0.51 C ATOM 0 H VAL A 38 -1.759 -1.394 3.793 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.751 -2.417 1.022 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.176 -0.318 0.629 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.145 1.264 2.235 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.626 0.507 2.869 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.031 -0.054 3.426 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.237 0.152 0.607 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.504 -1.264 1.651 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.838 -1.478 0.014 1.00 0.51 H new ATOM 626 N GLU A 39 -0.270 -4.275 1.628 1.00 0.30 N ATOM 627 CA GLU A 39 0.663 -5.370 1.839 1.00 0.33 C ATOM 628 C GLU A 39 1.973 -5.098 1.112 1.00 0.32 C ATOM 629 O GLU A 39 2.016 -4.320 0.156 1.00 0.43 O ATOM 630 CB GLU A 39 0.053 -6.685 1.350 1.00 0.42 C ATOM 631 CG GLU A 39 -1.423 -6.826 1.682 1.00 0.51 C ATOM 632 CD GLU A 39 -1.860 -8.273 1.796 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.079 -8.912 0.746 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.985 -8.766 2.936 1.00 1.67 O ATOM 0 H GLU A 39 -1.035 -4.495 0.990 1.00 0.30 H new ATOM 0 HA GLU A 39 0.867 -5.452 2.907 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.183 -6.758 0.270 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.599 -7.517 1.794 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.631 -6.313 2.621 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.014 -6.332 0.911 1.00 0.51 H new ATOM 641 N LYS A 40 3.039 -5.740 1.574 1.00 0.28 N ATOM 642 CA LYS A 40 4.354 -5.561 0.974 1.00 0.31 C ATOM 643 C LYS A 40 4.888 -6.866 0.404 1.00 0.29 C ATOM 644 O LYS A 40 4.775 -7.921 1.027 1.00 0.35 O ATOM 645 CB LYS A 40 5.339 -5.014 2.009 1.00 0.43 C ATOM 646 CG LYS A 40 5.218 -5.672 3.374 1.00 0.92 C ATOM 647 CD LYS A 40 6.529 -5.605 4.141 1.00 1.14 C ATOM 648 CE LYS A 40 6.943 -6.973 4.660 1.00 1.65 C ATOM 649 NZ LYS A 40 7.456 -6.905 6.057 1.00 1.97 N ATOM 0 H LYS A 40 3.018 -6.388 2.361 1.00 0.28 H new ATOM 0 HA LYS A 40 4.249 -4.847 0.157 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.355 -5.150 1.638 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.180 -3.941 2.117 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.433 -5.180 3.948 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.919 -6.713 3.252 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.311 -5.209 3.493 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.427 -4.913 4.977 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.090 -7.650 4.619 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.713 -7.390 4.010 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.728 -7.858 6.374 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.286 -6.279 6.092 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.713 -6.531 6.682 1.00 1.97 H new ATOM 663 N ARG A 41 5.477 -6.784 -0.784 1.00 0.36 N ATOM 664 CA ARG A 41 6.036 -7.957 -1.435 1.00 0.40 C ATOM 665 C ARG A 41 7.550 -7.844 -1.541 1.00 0.41 C ATOM 666 O ARG A 41 8.073 -6.912 -2.160 1.00 0.43 O ATOM 667 CB ARG A 41 5.437 -8.142 -2.828 1.00 0.46 C ATOM 668 CG ARG A 41 5.981 -9.358 -3.564 1.00 0.58 C ATOM 669 CD ARG A 41 4.864 -10.288 -4.003 1.00 0.88 C ATOM 670 NE ARG A 41 4.887 -10.578 -5.438 1.00 0.95 N ATOM 671 CZ ARG A 41 4.835 -9.655 -6.400 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.770 -8.373 -6.075 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.848 -10.001 -7.681 1.00 1.44 N ATOM 0 H ARG A 41 5.578 -5.918 -1.313 1.00 0.36 H new ATOM 0 HA ARG A 41 5.787 -8.826 -0.825 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.354 -8.234 -2.740 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.634 -7.249 -3.422 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.549 -9.033 -4.436 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.672 -9.898 -2.916 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.939 -11.223 -3.448 1.00 0.88 H new ATOM 0 HD3 ARG A 41 3.904 -9.840 -3.744 1.00 0.88 H new ATOM 0 HE ARG A 41 4.947 -11.556 -5.723 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.760 -8.096 -5.094 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.730 -7.663 -6.806 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.898 -10.986 -7.943 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.808 -9.282 -8.404 1.00 1.44 H new ATOM 687 N ASP A 42 8.244 -8.801 -0.934 1.00 0.50 N ATOM 688 CA ASP A 42 9.699 -8.826 -0.953 1.00 0.57 C ATOM 689 C ASP A 42 10.206 -9.387 -2.272 1.00 0.62 C ATOM 690 O ASP A 42 10.615 -10.545 -2.356 1.00 0.91 O ATOM 691 CB ASP A 42 10.229 -9.667 0.204 1.00 0.71 C ATOM 692 CG ASP A 42 9.118 -10.281 1.033 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.949 -9.884 0.844 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.416 -11.159 1.869 1.00 1.49 O ATOM 0 H ASP A 42 7.818 -9.573 -0.421 1.00 0.50 H new ATOM 0 HA ASP A 42 10.060 -7.803 -0.844 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.865 -10.460 -0.189 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.854 -9.045 0.844 1.00 0.71 H new ATOM 699 N LEU A 43 10.170 -8.556 -3.298 1.00 0.63 N ATOM 700 CA LEU A 43 10.619 -8.953 -4.625 1.00 0.68 C ATOM 701 C LEU A 43 12.036 -9.523 -4.580 1.00 0.81 C ATOM 702 O LEU A 43 12.866 -9.076 -3.789 1.00 0.90 O ATOM 703 CB LEU A 43 10.563 -7.759 -5.575 1.00 0.62 C ATOM 704 CG LEU A 43 9.222 -7.024 -5.603 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.300 -5.816 -6.520 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.105 -7.961 -6.039 1.00 0.70 C ATOM 0 H LEU A 43 9.833 -7.595 -3.239 1.00 0.63 H new ATOM 0 HA LEU A 43 9.952 -9.734 -4.990 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.343 -7.052 -5.294 1.00 0.62 H new ATOM 0 HB3 LEU A 43 10.794 -8.104 -6.583 1.00 0.62 H new ATOM 0 HG LEU A 43 8.998 -6.676 -4.595 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.338 -5.304 -6.529 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.071 -5.135 -6.159 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.547 -6.142 -7.530 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.160 -7.419 -6.052 1.00 0.70 H new ATOM 0 HD22 LEU A 43 8.319 -8.342 -7.038 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.035 -8.794 -5.340 1.00 0.70 H new ATOM 718 N PRO A 44 12.335 -10.527 -5.430 1.00 0.92 N ATOM 719 CA PRO A 44 11.389 -11.093 -6.386 1.00 0.99 C ATOM 720 C PRO A 44 10.654 -12.313 -5.836 1.00 1.15 C ATOM 721 O PRO A 44 10.229 -13.183 -6.597 1.00 1.43 O ATOM 722 CB PRO A 44 12.306 -11.498 -7.535 1.00 1.15 C ATOM 723 CG PRO A 44 13.599 -11.878 -6.881 1.00 1.25 C ATOM 724 CD PRO A 44 13.641 -11.193 -5.529 1.00 1.08 C ATOM 0 HA PRO A 44 10.597 -10.395 -6.656 1.00 0.99 H new ATOM 0 HB2 PRO A 44 11.888 -12.332 -8.099 1.00 1.15 H new ATOM 0 HB3 PRO A 44 12.445 -10.676 -8.238 1.00 1.15 H new ATOM 0 HG2 PRO A 44 13.668 -12.960 -6.766 1.00 1.25 H new ATOM 0 HG3 PRO A 44 14.445 -11.569 -7.495 1.00 1.25 H new ATOM 0 HD2 PRO A 44 13.786 -11.911 -4.722 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.460 -10.477 -5.469 1.00 1.08 H new ATOM 732 N ASN A 45 10.507 -12.381 -4.515 1.00 1.14 N ATOM 733 CA ASN A 45 9.822 -13.509 -3.890 1.00 1.33 C ATOM 734 C ASN A 45 9.202 -13.125 -2.547 1.00 1.43 C ATOM 735 O ASN A 45 9.778 -13.384 -1.490 1.00 2.42 O ATOM 736 CB ASN A 45 10.795 -14.674 -3.699 1.00 1.66 C ATOM 737 CG ASN A 45 11.236 -15.279 -5.018 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.198 -14.638 -5.672 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 10.719 -16.312 -5.444 1.00 1.89 N flip ATOM 0 H ASN A 45 10.849 -11.676 -3.862 1.00 1.14 H new ATOM 0 HA ASN A 45 9.014 -13.812 -4.555 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.671 -14.327 -3.151 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.321 -15.444 -3.089 1.00 1.66 H new ATOM 0 HD21 ASN A 45 9.983 -16.772 -4.909 1.00 1.89 H new ATOM 0 HD22 ASN A 45 11.027 -16.708 -6.332 1.00 1.89 H new ATOM 746 N GLY A 46 8.021 -12.517 -2.598 1.00 0.90 N ATOM 747 CA GLY A 46 7.333 -12.118 -1.382 1.00 1.12 C ATOM 748 C GLY A 46 6.035 -12.880 -1.188 1.00 0.76 C ATOM 749 O GLY A 46 5.897 -14.006 -1.667 1.00 0.96 O ATOM 0 H GLY A 46 7.527 -12.293 -3.462 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.984 -12.287 -0.525 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.124 -11.049 -1.418 1.00 1.12 H new ATOM 753 N ARG A 47 5.077 -12.275 -0.489 1.00 0.80 N ATOM 754 CA ARG A 47 3.791 -12.928 -0.251 1.00 0.76 C ATOM 755 C ARG A 47 2.749 -11.948 0.288 1.00 0.85 C ATOM 756 O ARG A 47 1.842 -12.335 1.023 1.00 1.71 O ATOM 757 CB ARG A 47 3.954 -14.104 0.718 1.00 0.99 C ATOM 758 CG ARG A 47 5.068 -13.915 1.734 1.00 1.31 C ATOM 759 CD ARG A 47 4.704 -12.869 2.774 1.00 1.11 C ATOM 760 NE ARG A 47 5.188 -13.230 4.103 1.00 1.41 N ATOM 761 CZ ARG A 47 4.746 -14.280 4.786 1.00 1.71 C ATOM 762 NH1 ARG A 47 3.813 -15.067 4.266 1.00 2.41 N ATOM 763 NH2 ARG A 47 5.235 -14.546 5.990 1.00 2.03 N ATOM 0 H ARG A 47 5.164 -11.344 -0.081 1.00 0.80 H new ATOM 0 HA ARG A 47 3.435 -13.302 -1.211 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.014 -14.258 1.248 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.149 -15.010 0.145 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.275 -14.864 2.229 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.982 -13.616 1.221 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.125 -11.907 2.483 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.621 -12.747 2.803 1.00 1.11 H new ATOM 0 HE ARG A 47 5.905 -12.644 4.531 1.00 1.41 H new ATOM 0 HH11 ARG A 47 3.434 -14.866 3.341 1.00 2.41 H new ATOM 0 HH12 ARG A 47 3.475 -15.873 4.792 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.952 -13.944 6.394 1.00 2.03 H new ATOM 0 HH22 ARG A 47 4.894 -15.353 6.512 1.00 2.03 H new ATOM 777 N TRP A 48 2.885 -10.683 -0.096 1.00 0.50 N ATOM 778 CA TRP A 48 1.963 -9.628 0.323 1.00 0.43 C ATOM 779 C TRP A 48 1.560 -9.742 1.792 1.00 0.45 C ATOM 780 O TRP A 48 0.697 -10.543 2.152 1.00 0.65 O ATOM 781 CB TRP A 48 0.713 -9.648 -0.552 1.00 0.47 C ATOM 782 CG TRP A 48 1.034 -9.550 -2.006 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.827 -10.504 -2.959 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.635 -8.437 -2.672 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.265 -10.051 -4.178 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.763 -8.785 -4.026 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.077 -7.179 -2.256 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.315 -7.921 -4.962 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.625 -6.325 -3.185 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.740 -6.699 -4.523 1.00 0.38 C ATOM 0 H TRP A 48 3.636 -10.358 -0.706 1.00 0.50 H new ATOM 0 HA TRP A 48 2.492 -8.682 0.204 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.158 -10.568 -0.367 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.062 -8.820 -0.270 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.384 -11.473 -2.780 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.226 -10.572 -5.054 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.990 -6.881 -1.221 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.405 -8.205 -6.000 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.971 -5.351 -2.873 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.175 -6.007 -5.229 1.00 0.38 H new ATOM 801 N LEU A 49 2.178 -8.920 2.631 1.00 0.38 N ATOM 802 CA LEU A 49 1.875 -8.909 4.059 1.00 0.42 C ATOM 803 C LEU A 49 1.649 -7.476 4.535 1.00 0.36 C ATOM 804 O LEU A 49 2.547 -6.638 4.455 1.00 0.39 O ATOM 805 CB LEU A 49 3.008 -9.561 4.856 1.00 0.52 C ATOM 806 CG LEU A 49 2.655 -10.899 5.516 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.722 -10.686 6.698 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.028 -11.849 4.508 1.00 0.84 C ATOM 0 H LEU A 49 2.894 -8.251 2.348 1.00 0.38 H new ATOM 0 HA LEU A 49 0.964 -9.484 4.225 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.857 -9.715 4.190 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.332 -8.866 5.631 1.00 0.52 H new ATOM 0 HG LEU A 49 3.578 -11.349 5.883 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.484 -11.648 7.152 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.209 -10.047 7.435 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.804 -10.210 6.355 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.786 -12.792 4.998 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.117 -11.404 4.107 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.731 -12.033 3.695 1.00 0.84 H new ATOM 820 N LYS A 50 0.439 -7.197 5.022 1.00 0.40 N ATOM 821 CA LYS A 50 0.088 -5.859 5.502 1.00 0.40 C ATOM 822 C LYS A 50 1.206 -5.258 6.349 1.00 0.47 C ATOM 823 O LYS A 50 1.424 -5.665 7.490 1.00 0.85 O ATOM 824 CB LYS A 50 -1.211 -5.904 6.312 1.00 0.59 C ATOM 825 CG LYS A 50 -1.236 -6.997 7.367 1.00 0.72 C ATOM 826 CD LYS A 50 -2.558 -7.014 8.118 1.00 1.03 C ATOM 827 CE LYS A 50 -2.772 -5.727 8.894 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.027 -5.763 9.696 1.00 1.30 N ATOM 0 H LYS A 50 -0.315 -7.880 5.095 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.056 -5.224 4.628 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.360 -4.939 6.797 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.049 -6.050 5.630 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.072 -7.965 6.894 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.418 -6.844 8.071 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.377 -7.156 7.413 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.578 -7.861 8.803 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -1.923 -5.557 9.556 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -2.809 -4.887 8.200 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.136 -4.866 10.211 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.840 -5.900 9.062 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.982 -6.549 10.376 1.00 1.30 H new ATOM 842 N ALA A 51 1.912 -4.288 5.777 1.00 0.45 N ATOM 843 CA ALA A 51 3.010 -3.629 6.472 1.00 0.63 C ATOM 844 C ALA A 51 2.495 -2.697 7.561 1.00 0.55 C ATOM 845 O ALA A 51 3.105 -2.572 8.624 1.00 0.72 O ATOM 846 CB ALA A 51 3.872 -2.860 5.484 1.00 0.86 C ATOM 0 H ALA A 51 1.742 -3.941 4.833 1.00 0.45 H new ATOM 0 HA ALA A 51 3.617 -4.399 6.949 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.689 -2.372 6.016 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.281 -3.549 4.745 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.265 -2.107 4.981 1.00 0.86 H new ATOM 852 N ASN A 52 1.372 -2.040 7.292 1.00 0.42 N ATOM 853 CA ASN A 52 0.784 -1.118 8.254 1.00 0.43 C ATOM 854 C ASN A 52 0.224 -1.867 9.453 1.00 0.59 C ATOM 855 O ASN A 52 0.397 -3.079 9.577 1.00 1.60 O ATOM 856 CB ASN A 52 -0.322 -0.290 7.603 1.00 0.38 C ATOM 857 CG ASN A 52 -1.452 -1.149 7.072 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.332 -1.774 6.018 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.560 -1.182 7.804 1.00 0.62 N ATOM 0 H ASN A 52 0.853 -2.129 6.419 1.00 0.42 H new ATOM 0 HA ASN A 52 1.574 -0.449 8.596 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.719 0.417 8.331 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.100 0.296 6.786 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.356 -1.742 7.499 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.614 -0.648 8.671 1.00 0.62 H new ATOM 866 N PHE A 53 -0.452 -1.128 10.324 1.00 0.81 N ATOM 867 CA PHE A 53 -1.055 -1.697 11.527 1.00 0.82 C ATOM 868 C PHE A 53 -1.711 -0.621 12.398 1.00 0.84 C ATOM 869 O PHE A 53 -2.585 -0.928 13.208 1.00 1.20 O ATOM 870 CB PHE A 53 -0.005 -2.447 12.355 1.00 0.96 C ATOM 871 CG PHE A 53 -0.598 -3.362 13.390 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.775 -4.047 13.135 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.023 -3.539 14.618 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.321 -4.891 14.085 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.517 -4.380 15.567 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.696 -5.051 15.305 1.00 1.96 C ATOM 0 H PHE A 53 -0.598 -0.124 10.219 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.827 -2.392 11.198 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.626 -3.031 11.684 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.641 -1.722 12.850 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.271 -3.921 12.184 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.941 -3.011 14.833 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.236 -5.424 13.872 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.018 -4.515 16.516 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.128 -5.699 16.053 1.00 1.96 H new ATOM 886 N SER A 54 -1.289 0.637 12.241 1.00 0.79 N ATOM 887 CA SER A 54 -1.848 1.729 13.035 1.00 0.89 C ATOM 888 C SER A 54 -3.076 2.352 12.371 1.00 0.95 C ATOM 889 O SER A 54 -3.289 3.561 12.465 1.00 1.89 O ATOM 890 CB SER A 54 -0.787 2.807 13.263 1.00 1.00 C ATOM 891 OG SER A 54 -0.827 3.285 14.597 1.00 1.71 O ATOM 0 H SER A 54 -0.569 0.921 11.577 1.00 0.79 H new ATOM 0 HA SER A 54 -2.163 1.308 13.990 1.00 0.89 H new ATOM 0 HB2 SER A 54 0.201 2.401 13.048 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.949 3.634 12.572 1.00 1.00 H new ATOM 0 HG SER A 54 -0.139 3.972 14.719 1.00 1.71 H new ATOM 897 N ASN A 55 -3.885 1.530 11.708 1.00 0.75 N ATOM 898 CA ASN A 55 -5.090 2.021 11.045 1.00 0.69 C ATOM 899 C ASN A 55 -4.751 3.054 9.972 1.00 0.66 C ATOM 900 O ASN A 55 -4.128 4.077 10.255 1.00 1.05 O ATOM 901 CB ASN A 55 -6.042 2.629 12.078 1.00 0.84 C ATOM 902 CG ASN A 55 -7.499 2.378 11.743 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.929 2.852 10.580 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.230 1.764 12.520 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.730 0.526 11.616 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.577 1.177 10.557 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.821 2.212 13.061 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.867 3.703 12.141 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.858 1.417 13.404 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.208 1.602 12.280 1.00 0.83 H new ATOM 911 N ILE A 56 -5.167 2.778 8.740 1.00 0.40 N ATOM 912 CA ILE A 56 -4.910 3.682 7.623 1.00 0.33 C ATOM 913 C ILE A 56 -6.211 4.268 7.084 1.00 0.31 C ATOM 914 O ILE A 56 -6.632 3.954 5.971 1.00 0.53 O ATOM 915 CB ILE A 56 -4.170 2.960 6.479 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.860 2.357 6.993 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.905 3.916 5.322 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.008 1.735 5.909 1.00 0.69 C ATOM 0 H ILE A 56 -5.684 1.935 8.489 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.281 4.488 8.001 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.803 2.152 6.112 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.284 3.136 7.493 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.089 1.599 7.742 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.382 3.387 4.525 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.852 4.299 4.942 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.291 4.747 5.670 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.097 1.329 6.350 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.565 0.933 5.424 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.747 2.494 5.171 1.00 0.69 H new ATOM 930 N LEU A 57 -6.845 5.120 7.884 1.00 0.44 N ATOM 931 CA LEU A 57 -8.101 5.750 7.490 1.00 0.45 C ATOM 932 C LEU A 57 -7.983 6.401 6.116 1.00 0.42 C ATOM 933 O LEU A 57 -8.520 5.893 5.130 1.00 0.60 O ATOM 934 CB LEU A 57 -8.523 6.791 8.529 1.00 0.48 C ATOM 935 CG LEU A 57 -9.984 6.712 8.975 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.900 6.513 7.776 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.172 5.591 9.984 1.00 1.60 C ATOM 0 H LEU A 57 -6.510 5.390 8.809 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.863 4.973 7.435 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.886 6.684 9.407 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.338 7.784 8.120 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.249 7.654 9.454 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.935 6.459 8.114 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.786 7.351 7.088 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.636 5.586 7.266 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.217 5.549 10.291 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.889 4.641 9.530 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.545 5.778 10.856 1.00 1.60 H new ATOM 949 N GLU A 58 -7.279 7.527 6.053 1.00 0.39 N ATOM 950 CA GLU A 58 -7.095 8.242 4.802 1.00 0.43 C ATOM 951 C GLU A 58 -6.179 7.467 3.868 1.00 0.51 C ATOM 952 O GLU A 58 -5.506 6.523 4.280 1.00 1.09 O ATOM 953 CB GLU A 58 -6.517 9.634 5.065 1.00 0.44 C ATOM 954 CG GLU A 58 -5.151 9.611 5.729 1.00 0.44 C ATOM 955 CD GLU A 58 -5.153 10.268 7.096 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.818 9.735 8.010 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.488 11.314 7.254 1.00 1.29 O ATOM 0 H GLU A 58 -6.827 7.962 6.857 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.069 8.347 4.324 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.443 10.172 4.120 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.209 10.192 5.696 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.817 8.578 5.827 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.431 10.119 5.087 1.00 0.44 H new ATOM 964 N ASN A 59 -6.158 7.875 2.608 1.00 0.31 N ATOM 965 CA ASN A 59 -5.323 7.224 1.608 1.00 0.28 C ATOM 966 C ASN A 59 -3.864 7.674 1.715 1.00 0.28 C ATOM 967 O ASN A 59 -3.019 7.244 0.929 1.00 0.49 O ATOM 968 CB ASN A 59 -5.861 7.505 0.204 1.00 0.32 C ATOM 969 CG ASN A 59 -6.000 8.988 -0.077 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.518 9.823 0.687 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.665 9.324 -1.177 1.00 0.91 N ATOM 0 H ASN A 59 -6.711 8.655 2.253 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.356 6.151 1.795 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.193 7.060 -0.534 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.832 7.024 0.087 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.792 10.307 -1.416 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.048 8.598 -1.783 1.00 0.91 H new ATOM 978 N GLU A 60 -3.566 8.535 2.690 1.00 0.29 N ATOM 979 CA GLU A 60 -2.207 9.024 2.890 1.00 0.29 C ATOM 980 C GLU A 60 -1.529 8.235 4.001 1.00 0.27 C ATOM 981 O GLU A 60 -1.761 8.486 5.183 1.00 0.35 O ATOM 982 CB GLU A 60 -2.221 10.513 3.243 1.00 0.34 C ATOM 983 CG GLU A 60 -0.848 11.072 3.578 1.00 0.49 C ATOM 984 CD GLU A 60 -0.638 12.469 3.028 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.624 13.078 2.561 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.512 12.955 3.067 1.00 2.05 O ATOM 0 H GLU A 60 -4.249 8.906 3.351 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.649 8.890 1.963 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.637 11.072 2.405 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.885 10.670 4.093 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.721 11.089 4.660 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.082 10.409 3.177 1.00 0.49 H new ATOM 993 N PHE A 61 -0.699 7.272 3.618 1.00 0.24 N ATOM 994 CA PHE A 61 -0.005 6.448 4.598 1.00 0.24 C ATOM 995 C PHE A 61 1.455 6.238 4.222 1.00 0.24 C ATOM 996 O PHE A 61 1.861 6.472 3.084 1.00 0.25 O ATOM 997 CB PHE A 61 -0.711 5.094 4.736 1.00 0.28 C ATOM 998 CG PHE A 61 0.048 4.095 5.564 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.092 4.066 6.941 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.907 3.189 4.960 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.609 3.150 7.703 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.610 2.273 5.716 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.462 2.253 7.090 1.00 0.48 C ATOM 0 H PHE A 61 -0.492 7.044 2.646 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.030 6.972 5.553 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.693 5.251 5.183 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.876 4.678 3.742 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.756 4.767 7.425 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.027 3.200 3.887 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.490 3.136 8.776 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.276 1.572 5.234 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.012 1.538 7.683 1.00 0.48 H new ATOM 1013 N THR A 62 2.236 5.783 5.196 1.00 0.25 N ATOM 1014 CA THR A 62 3.646 5.524 4.987 1.00 0.27 C ATOM 1015 C THR A 62 3.987 4.102 5.387 1.00 0.29 C ATOM 1016 O THR A 62 3.717 3.687 6.514 1.00 0.35 O ATOM 1017 CB THR A 62 4.501 6.509 5.783 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.990 7.826 5.671 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.949 6.542 5.344 1.00 0.37 C ATOM 0 H THR A 62 1.909 5.587 6.142 1.00 0.25 H new ATOM 0 HA THR A 62 3.861 5.655 3.927 1.00 0.27 H new ATOM 0 HB THR A 62 4.459 6.154 6.813 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.500 8.318 4.994 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.497 7.262 5.951 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.390 5.553 5.468 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.005 6.835 4.296 1.00 0.37 H new ATOM 1027 N VAL A 63 4.584 3.352 4.469 1.00 0.31 N ATOM 1028 CA VAL A 63 4.944 1.980 4.764 1.00 0.36 C ATOM 1029 C VAL A 63 6.322 1.910 5.400 1.00 0.38 C ATOM 1030 O VAL A 63 7.341 1.827 4.710 1.00 0.50 O ATOM 1031 CB VAL A 63 4.906 1.100 3.506 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.973 -0.372 3.884 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.650 1.397 2.704 1.00 0.58 C ATOM 0 H VAL A 63 4.824 3.668 3.529 1.00 0.31 H new ATOM 0 HA VAL A 63 4.205 1.598 5.468 1.00 0.36 H new ATOM 0 HB VAL A 63 5.774 1.328 2.888 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.945 -0.981 2.981 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.899 -0.567 4.425 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.123 -0.624 4.518 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.630 0.769 1.813 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.771 1.189 3.314 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.647 2.446 2.408 1.00 0.58 H new ATOM 1043 N SER A 64 6.339 1.952 6.724 1.00 0.49 N ATOM 1044 CA SER A 64 7.584 1.899 7.480 1.00 0.55 C ATOM 1045 C SER A 64 8.016 0.456 7.712 1.00 0.63 C ATOM 1046 O SER A 64 7.611 -0.447 6.978 1.00 0.99 O ATOM 1047 CB SER A 64 7.422 2.622 8.817 1.00 0.63 C ATOM 1048 OG SER A 64 6.751 1.805 9.761 1.00 1.33 O ATOM 0 H SER A 64 5.501 2.023 7.301 1.00 0.49 H new ATOM 0 HA SER A 64 8.358 2.400 6.899 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.402 2.901 9.204 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.863 3.546 8.669 1.00 0.63 H new ATOM 0 HG SER A 64 6.662 2.290 10.608 1.00 1.33 H new ATOM 1054 N GLY A 65 8.842 0.240 8.733 1.00 0.71 N ATOM 1055 CA GLY A 65 9.312 -1.101 9.032 1.00 0.78 C ATOM 1056 C GLY A 65 9.851 -1.802 7.804 1.00 0.72 C ATOM 1057 O GLY A 65 9.814 -3.029 7.710 1.00 0.90 O ATOM 0 H GLY A 65 9.193 0.967 9.356 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.092 -1.050 9.792 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.494 -1.686 9.453 1.00 0.78 H new ATOM 1061 N LEU A 66 10.350 -1.016 6.855 1.00 0.64 N ATOM 1062 CA LEU A 66 10.896 -1.558 5.620 1.00 0.65 C ATOM 1063 C LEU A 66 12.271 -2.171 5.853 1.00 0.59 C ATOM 1064 O LEU A 66 12.904 -1.933 6.882 1.00 0.65 O ATOM 1065 CB LEU A 66 10.987 -0.457 4.560 1.00 0.74 C ATOM 1066 CG LEU A 66 9.668 -0.112 3.863 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.777 1.238 3.166 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.284 -1.200 2.872 1.00 1.47 C ATOM 0 H LEU A 66 10.387 0.001 6.920 1.00 0.64 H new ATOM 0 HA LEU A 66 10.227 -2.343 5.267 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.378 0.446 5.029 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.710 -0.762 3.804 1.00 0.74 H new ATOM 0 HG LEU A 66 8.883 -0.049 4.617 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.832 1.471 2.675 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.004 2.010 3.901 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.573 1.200 2.423 1.00 0.89 H new ATOM 0 HD21 LEU A 66 8.344 -0.936 2.388 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.065 -1.298 2.119 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.167 -2.147 3.399 1.00 1.47 H new ATOM 1080 N THR A 67 12.727 -2.959 4.888 1.00 0.65 N ATOM 1081 CA THR A 67 14.031 -3.606 4.980 1.00 0.69 C ATOM 1082 C THR A 67 14.960 -3.081 3.896 1.00 0.72 C ATOM 1083 O THR A 67 14.863 -3.481 2.736 1.00 1.06 O ATOM 1084 CB THR A 67 13.893 -5.123 4.848 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.709 -5.583 5.478 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.057 -5.881 5.447 1.00 0.99 C ATOM 0 H THR A 67 12.213 -3.166 4.032 1.00 0.65 H new ATOM 0 HA THR A 67 14.455 -3.375 5.957 1.00 0.69 H new ATOM 0 HB THR A 67 13.864 -5.316 3.776 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.162 -6.072 4.829 1.00 0.96 H new ATOM 0 HG21 THR A 67 14.898 -6.952 5.320 1.00 0.99 H new ATOM 0 HG22 THR A 67 15.979 -5.589 4.944 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.134 -5.649 6.509 1.00 0.99 H new ATOM 1094 N GLU A 68 15.859 -2.183 4.272 1.00 0.66 N ATOM 1095 CA GLU A 68 16.797 -1.607 3.318 1.00 0.67 C ATOM 1096 C GLU A 68 17.481 -2.696 2.489 1.00 0.60 C ATOM 1097 O GLU A 68 17.663 -3.820 2.956 1.00 0.69 O ATOM 1098 CB GLU A 68 17.837 -0.757 4.056 1.00 0.76 C ATOM 1099 CG GLU A 68 18.816 -0.039 3.142 1.00 0.96 C ATOM 1100 CD GLU A 68 20.207 0.040 3.737 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.413 -0.507 4.840 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.092 0.651 3.101 1.00 1.89 O ATOM 0 H GLU A 68 15.959 -1.838 5.227 1.00 0.66 H new ATOM 0 HA GLU A 68 16.241 -0.969 2.631 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.319 -0.018 4.667 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.396 -1.398 4.737 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.862 -0.557 2.184 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.451 0.968 2.942 1.00 0.96 H new ATOM 1109 N ASP A 69 17.845 -2.348 1.253 1.00 0.52 N ATOM 1110 CA ASP A 69 18.501 -3.275 0.334 1.00 0.49 C ATOM 1111 C ASP A 69 17.523 -4.341 -0.144 1.00 0.44 C ATOM 1112 O ASP A 69 17.837 -5.532 -0.150 1.00 0.54 O ATOM 1113 CB ASP A 69 19.721 -3.931 0.991 1.00 0.59 C ATOM 1114 CG ASP A 69 20.776 -2.919 1.391 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.556 -2.494 0.513 1.00 1.66 O ATOM 1116 OD2 ASP A 69 20.823 -2.549 2.584 1.00 1.87 O ATOM 0 H ASP A 69 17.693 -1.418 0.864 1.00 0.52 H new ATOM 0 HA ASP A 69 18.843 -2.703 -0.529 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.401 -4.486 1.873 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.157 -4.653 0.301 1.00 0.59 H new ATOM 1121 N ALA A 70 16.331 -3.903 -0.545 1.00 0.40 N ATOM 1122 CA ALA A 70 15.304 -4.819 -1.024 1.00 0.40 C ATOM 1123 C ALA A 70 14.164 -4.064 -1.694 1.00 0.35 C ATOM 1124 O ALA A 70 13.519 -3.219 -1.073 1.00 0.36 O ATOM 1125 CB ALA A 70 14.770 -5.651 0.129 1.00 0.49 C ATOM 0 H ALA A 70 16.055 -2.921 -0.547 1.00 0.40 H new ATOM 0 HA ALA A 70 15.756 -5.478 -1.765 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.003 -6.333 -0.239 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.584 -6.225 0.571 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.339 -4.993 0.884 1.00 0.49 H new ATOM 1131 N ALA A 71 13.908 -4.375 -2.960 1.00 0.33 N ATOM 1132 CA ALA A 71 12.834 -3.722 -3.689 1.00 0.30 C ATOM 1133 C ALA A 71 11.490 -4.262 -3.231 1.00 0.27 C ATOM 1134 O ALA A 71 11.209 -5.453 -3.370 1.00 0.36 O ATOM 1135 CB ALA A 71 13.012 -3.903 -5.189 1.00 0.34 C ATOM 0 H ALA A 71 14.427 -5.070 -3.497 1.00 0.33 H new ATOM 0 HA ALA A 71 12.867 -2.653 -3.478 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.197 -3.406 -5.715 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.962 -3.467 -5.498 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.005 -4.966 -5.431 1.00 0.34 H new ATOM 1141 N TYR A 72 10.670 -3.388 -2.665 1.00 0.24 N ATOM 1142 CA TYR A 72 9.364 -3.796 -2.163 1.00 0.24 C ATOM 1143 C TYR A 72 8.209 -3.178 -2.938 1.00 0.21 C ATOM 1144 O TYR A 72 8.143 -1.960 -3.112 1.00 0.23 O ATOM 1145 CB TYR A 72 9.234 -3.408 -0.693 1.00 0.30 C ATOM 1146 CG TYR A 72 10.072 -4.247 0.232 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.620 -5.480 0.685 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.319 -3.805 0.651 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.396 -6.248 1.535 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.098 -4.566 1.497 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.604 -5.807 1.945 1.00 0.46 C ATOM 1152 OH TYR A 72 12.411 -6.543 2.782 1.00 0.56 O ATOM 0 H TYR A 72 10.883 -2.398 -2.542 1.00 0.24 H new ATOM 0 HA TYR A 72 9.304 -4.877 -2.289 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.517 -2.362 -0.576 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.188 -3.490 -0.396 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.653 -5.843 0.370 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.686 -2.849 0.309 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.033 -7.207 1.873 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.070 -4.217 1.811 1.00 0.42 H new ATOM 0 HH TYR A 72 13.274 -6.703 2.347 1.00 0.56 H new ATOM 1162 N GLU A 73 7.283 -4.034 -3.370 1.00 0.21 N ATOM 1163 CA GLU A 73 6.096 -3.589 -4.096 1.00 0.21 C ATOM 1164 C GLU A 73 4.952 -3.432 -3.101 1.00 0.23 C ATOM 1165 O GLU A 73 4.893 -4.168 -2.116 1.00 0.32 O ATOM 1166 CB GLU A 73 5.716 -4.592 -5.186 1.00 0.25 C ATOM 1167 CG GLU A 73 6.116 -4.151 -6.582 1.00 0.65 C ATOM 1168 CD GLU A 73 6.204 -5.310 -7.555 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.429 -6.276 -7.397 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.046 -5.250 -8.476 1.00 1.32 O ATOM 0 H GLU A 73 7.334 -5.043 -3.229 1.00 0.21 H new ATOM 0 HA GLU A 73 6.303 -2.636 -4.582 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.188 -5.550 -4.967 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.638 -4.754 -5.160 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.392 -3.425 -6.951 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.080 -3.645 -6.537 1.00 0.65 H new ATOM 1177 N PHE A 74 4.058 -2.469 -3.315 1.00 0.22 N ATOM 1178 CA PHE A 74 2.966 -2.275 -2.341 1.00 0.28 C ATOM 1179 C PHE A 74 1.552 -2.346 -2.919 1.00 0.25 C ATOM 1180 O PHE A 74 1.099 -1.433 -3.607 1.00 0.30 O ATOM 1181 CB PHE A 74 3.131 -0.945 -1.611 1.00 0.39 C ATOM 1182 CG PHE A 74 4.552 -0.520 -1.445 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.497 -1.402 -0.956 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.940 0.763 -1.778 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.809 -1.012 -0.802 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.248 1.161 -1.625 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.186 0.270 -1.138 1.00 0.53 C ATOM 0 H PHE A 74 4.056 -1.833 -4.113 1.00 0.22 H new ATOM 0 HA PHE A 74 3.060 -3.120 -1.659 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.592 -0.172 -2.158 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.667 -1.021 -0.628 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.204 -2.407 -0.692 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.210 1.460 -2.162 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.540 -1.709 -0.419 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.541 2.167 -1.885 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.214 0.579 -1.021 1.00 0.53 H new ATOM 1197 N ARG A 75 0.856 -3.430 -2.580 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.530 -3.660 -3.006 1.00 0.34 C ATOM 1199 C ARG A 75 -1.483 -3.238 -1.884 1.00 0.31 C ATOM 1200 O ARG A 75 -1.250 -3.595 -0.732 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.719 -5.155 -3.295 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.522 -5.473 -4.546 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.495 -6.970 -4.846 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.769 -7.295 -6.080 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.342 -7.500 -7.269 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.657 -7.409 -7.419 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.591 -7.796 -8.321 1.00 1.87 N ATOM 0 H ARG A 75 1.236 -4.178 -2.000 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.743 -3.078 -3.902 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.263 -5.619 -3.385 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.212 -5.615 -2.439 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.553 -5.143 -4.415 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.116 -4.921 -5.394 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.032 -7.494 -4.010 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.518 -7.338 -4.925 1.00 1.08 H new ATOM 0 HE ARG A 75 0.247 -7.370 -6.025 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.247 -7.179 -6.619 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.078 -7.569 -8.334 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.422 -7.867 -8.221 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.026 -7.953 -9.230 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.555 -2.489 -2.185 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.475 -2.086 -1.106 1.00 0.39 C ATOM 1223 C VAL A 76 -4.890 -2.644 -1.265 1.00 0.31 C ATOM 1224 O VAL A 76 -5.560 -2.450 -2.279 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.493 -0.532 -0.830 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.835 0.267 -1.941 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.885 0.026 -0.528 1.00 0.47 C ATOM 0 H VAL A 76 -2.801 -2.162 -3.119 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.054 -2.553 -0.215 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.899 -0.412 0.076 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.876 1.329 -1.699 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.795 -0.042 -2.044 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.361 0.088 -2.879 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.816 1.099 -0.349 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.543 -0.159 -1.377 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.289 -0.464 0.358 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.319 -3.322 -0.200 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.628 -3.917 -0.096 1.00 0.31 C ATOM 1239 C ILE A 77 -7.385 -3.200 1.015 1.00 0.30 C ATOM 1240 O ILE A 77 -6.777 -2.782 2.002 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.517 -5.410 0.251 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.664 -6.129 -0.786 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.890 -6.032 0.328 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.078 -7.436 -0.299 1.00 0.42 C ATOM 0 H ILE A 77 -4.742 -3.470 0.628 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.149 -3.822 -1.048 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.037 -5.509 1.225 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.271 -6.322 -1.671 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.852 -5.470 -1.094 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.797 -7.090 0.574 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.474 -5.530 1.099 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.392 -5.926 -0.634 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.484 -7.887 -1.094 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.443 -7.250 0.567 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.884 -8.114 -0.019 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.691 -3.038 0.874 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.454 -2.347 1.910 1.00 0.30 C ATOM 1258 C ALA A 78 -10.911 -2.765 1.935 1.00 0.34 C ATOM 1259 O ALA A 78 -11.609 -2.684 0.931 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.353 -0.844 1.718 1.00 0.39 C ATOM 0 H ALA A 78 -9.236 -3.364 0.076 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.019 -2.629 2.869 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.925 -0.339 2.496 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.308 -0.539 1.780 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.752 -0.574 0.740 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.375 -3.201 3.096 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.761 -3.612 3.235 1.00 0.43 C ATOM 1268 C LYS A 79 -13.660 -2.391 3.395 1.00 0.59 C ATOM 1269 O LYS A 79 -13.205 -1.327 3.814 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.930 -4.565 4.419 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.749 -3.899 5.774 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.550 -4.605 6.858 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.050 -6.023 7.086 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.885 -6.754 8.080 1.00 1.98 N ATOM 0 H LYS A 79 -10.818 -3.279 3.947 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.055 -4.144 2.330 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.923 -5.012 4.374 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.210 -5.378 4.325 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.693 -3.901 6.042 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -13.060 -2.856 5.712 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.482 -4.040 7.788 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.603 -4.630 6.576 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.053 -6.565 6.141 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.017 -5.992 7.432 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.511 -7.716 8.207 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.862 -6.251 8.990 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.866 -6.806 7.738 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.933 -2.543 3.049 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.884 -1.440 3.145 1.00 0.70 C ATOM 1290 C ASN A 80 -16.784 -1.561 4.369 1.00 0.87 C ATOM 1291 O ASN A 80 -16.771 -2.566 5.079 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.751 -1.374 1.889 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.183 -2.745 1.414 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.203 -3.702 2.185 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.532 -2.846 0.139 1.00 2.05 N ATOM 0 H ASN A 80 -15.330 -3.415 2.701 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.299 -0.525 3.243 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.634 -0.768 2.092 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.197 -0.875 1.094 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.832 -3.745 -0.238 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.500 -2.025 -0.465 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.569 -0.515 4.592 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.501 -0.455 5.713 1.00 0.82 C ATOM 1304 C ALA A 81 -19.271 -1.762 5.886 1.00 0.88 C ATOM 1305 O ALA A 81 -19.400 -2.274 6.998 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.480 0.693 5.502 1.00 0.83 C ATOM 0 H ALA A 81 -17.578 0.316 4.001 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.920 -0.291 6.620 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.176 0.737 6.340 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.931 1.632 5.437 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.035 0.533 4.578 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.791 -2.289 4.782 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.562 -3.528 4.821 1.00 0.90 C ATOM 1314 C ALA A 82 -19.703 -4.719 5.228 1.00 0.88 C ATOM 1315 O ALA A 82 -20.224 -5.758 5.634 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.214 -3.786 3.473 1.00 0.94 C ATOM 0 H ALA A 82 -19.694 -1.880 3.853 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.337 -3.408 5.578 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.786 -4.713 3.517 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.881 -2.960 3.227 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.444 -3.871 2.706 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.389 -4.570 5.117 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.492 -5.651 5.477 1.00 0.86 C ATOM 1324 C GLY A 83 -16.792 -6.240 4.270 1.00 0.78 C ATOM 1325 O GLY A 83 -15.737 -6.860 4.399 1.00 0.93 O ATOM 0 H GLY A 83 -17.929 -3.722 4.785 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.747 -5.283 6.183 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.055 -6.433 5.986 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.377 -6.041 3.090 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.794 -6.551 1.852 1.00 0.78 C ATOM 1331 C ALA A 84 -15.321 -6.175 1.777 1.00 0.76 C ATOM 1332 O ALA A 84 -14.902 -5.192 2.384 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.547 -6.007 0.646 1.00 0.92 C ATOM 0 H ALA A 84 -18.252 -5.532 2.966 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.878 -7.638 1.845 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.100 -6.397 -0.268 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.591 -6.316 0.699 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.490 -4.918 0.642 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.534 -6.956 1.049 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.110 -6.680 0.932 1.00 0.40 C ATOM 1341 C ILE A 85 -12.733 -6.167 -0.454 1.00 0.38 C ATOM 1342 O ILE A 85 -12.851 -6.887 -1.445 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.263 -7.933 1.260 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.806 -7.540 1.514 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.350 -8.966 0.140 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.544 -7.075 2.930 1.00 0.79 C ATOM 0 H ILE A 85 -14.854 -7.777 0.536 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.893 -5.898 1.659 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.667 -8.385 2.166 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.164 -8.394 1.296 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.526 -6.746 0.822 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.745 -9.835 0.399 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.388 -9.273 0.008 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.980 -8.529 -0.787 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.492 -6.813 3.038 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.159 -6.202 3.146 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.792 -7.875 3.627 1.00 0.79 H new ATOM 1358 N SER A 86 -12.260 -4.927 -0.520 1.00 0.39 N ATOM 1359 CA SER A 86 -11.846 -4.366 -1.798 1.00 0.45 C ATOM 1360 C SER A 86 -10.579 -5.082 -2.238 1.00 0.44 C ATOM 1361 O SER A 86 -9.541 -4.961 -1.579 1.00 0.43 O ATOM 1362 CB SER A 86 -11.587 -2.863 -1.705 1.00 0.54 C ATOM 1363 OG SER A 86 -10.314 -2.599 -1.137 1.00 0.59 O ATOM 0 H SER A 86 -12.155 -4.303 0.280 1.00 0.39 H new ATOM 0 HA SER A 86 -12.648 -4.508 -2.523 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.645 -2.419 -2.699 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.363 -2.394 -1.100 1.00 0.54 H new ATOM 0 HG SER A 86 -10.425 -2.090 -0.307 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.639 -5.852 -3.337 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.486 -6.600 -3.830 1.00 0.61 C ATOM 1371 C PRO A 87 -8.236 -5.737 -3.983 1.00 0.54 C ATOM 1372 O PRO A 87 -8.321 -4.533 -4.230 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.948 -7.158 -5.182 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.216 -6.439 -5.500 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.823 -6.070 -4.180 1.00 0.59 C ATOM 0 HA PRO A 87 -9.189 -7.379 -3.127 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.197 -6.988 -5.954 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.111 -8.234 -5.127 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.021 -5.551 -6.102 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.890 -7.073 -6.076 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.440 -5.174 -4.253 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.459 -6.864 -3.789 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.053 -6.354 -3.821 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.770 -5.670 -3.919 1.00 0.56 C ATOM 1385 C PRO A 88 -5.711 -4.625 -5.018 1.00 0.48 C ATOM 1386 O PRO A 88 -6.241 -4.814 -6.112 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.773 -6.790 -4.226 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.498 -8.090 -4.035 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.876 -7.780 -3.516 1.00 0.72 C ATOM 0 HA PRO A 88 -5.566 -5.121 -3.000 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.399 -6.704 -5.246 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.910 -6.729 -3.564 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.559 -8.635 -4.977 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.960 -8.727 -3.333 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.635 -8.391 -4.005 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.953 -7.973 -2.446 1.00 0.72 H new ATOM 1397 N SER A 89 -5.039 -3.524 -4.708 1.00 0.43 N ATOM 1398 CA SER A 89 -4.871 -2.436 -5.654 1.00 0.42 C ATOM 1399 C SER A 89 -3.441 -2.429 -6.180 1.00 0.35 C ATOM 1400 O SER A 89 -2.509 -2.131 -5.425 1.00 0.51 O ATOM 1401 CB SER A 89 -5.198 -1.096 -4.991 1.00 0.56 C ATOM 1402 OG SER A 89 -6.599 -0.917 -4.871 1.00 1.28 O ATOM 0 H SER A 89 -4.600 -3.363 -3.802 1.00 0.43 H new ATOM 0 HA SER A 89 -5.558 -2.583 -6.488 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.736 -1.052 -4.005 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.773 -0.282 -5.578 1.00 0.56 H new ATOM 0 HG SER A 89 -6.828 0.015 -5.070 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.301 -2.779 -7.477 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.007 -2.852 -8.198 1.00 0.37 C ATOM 1410 C GLU A 90 -0.818 -2.369 -7.366 1.00 0.34 C ATOM 1411 O GLU A 90 -0.757 -1.205 -6.987 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.083 -2.035 -9.489 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.800 -2.067 -10.304 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.946 -2.846 -11.597 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.946 -3.583 -11.738 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.062 -2.719 -12.470 1.00 1.77 O ATOM 0 H GLU A 90 -4.098 -3.024 -8.065 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.837 -3.906 -8.416 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.902 -2.413 -10.101 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -2.321 -1.001 -9.241 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.494 -1.046 -10.533 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.005 -2.511 -9.705 1.00 0.90 H new ATOM 1423 N PRO A 91 0.139 -3.255 -7.057 1.00 0.30 N ATOM 1424 CA PRO A 91 1.306 -2.900 -6.252 1.00 0.29 C ATOM 1425 C PRO A 91 2.052 -1.664 -6.731 1.00 0.31 C ATOM 1426 O PRO A 91 2.213 -1.442 -7.932 1.00 0.55 O ATOM 1427 CB PRO A 91 2.203 -4.119 -6.377 1.00 0.36 C ATOM 1428 CG PRO A 91 1.254 -5.245 -6.567 1.00 0.36 C ATOM 1429 CD PRO A 91 0.163 -4.681 -7.442 1.00 0.39 C ATOM 0 HA PRO A 91 1.003 -2.650 -5.235 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.887 -4.027 -7.221 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.814 -4.258 -5.485 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.741 -6.098 -7.041 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.857 -5.594 -5.614 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.386 -4.810 -8.501 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.795 -5.166 -7.257 1.00 0.39 H new ATOM 1437 N SER A 92 2.531 -0.876 -5.773 1.00 0.27 N ATOM 1438 CA SER A 92 3.294 0.322 -6.073 1.00 0.31 C ATOM 1439 C SER A 92 4.690 -0.095 -6.500 1.00 0.27 C ATOM 1440 O SER A 92 5.172 -1.149 -6.076 1.00 0.24 O ATOM 1441 CB SER A 92 3.361 1.245 -4.844 1.00 0.39 C ATOM 1442 OG SER A 92 4.682 1.704 -4.597 1.00 1.23 O ATOM 0 H SER A 92 2.401 -1.051 -4.777 1.00 0.27 H new ATOM 0 HA SER A 92 2.809 0.877 -6.876 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.702 2.100 -4.996 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.993 0.711 -3.968 1.00 0.39 H new ATOM 0 HG SER A 92 5.019 1.300 -3.770 1.00 1.23 H new ATOM 1448 N ASP A 93 5.337 0.726 -7.330 1.00 0.33 N ATOM 1449 CA ASP A 93 6.685 0.428 -7.810 1.00 0.36 C ATOM 1450 C ASP A 93 7.554 -0.119 -6.688 1.00 0.32 C ATOM 1451 O ASP A 93 7.408 0.269 -5.529 1.00 0.56 O ATOM 1452 CB ASP A 93 7.338 1.673 -8.406 1.00 0.45 C ATOM 1453 CG ASP A 93 6.831 1.983 -9.801 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.784 2.654 -9.916 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.480 1.554 -10.777 1.00 1.55 O ATOM 0 H ASP A 93 4.949 1.601 -7.682 1.00 0.33 H new ATOM 0 HA ASP A 93 6.597 -0.331 -8.587 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.147 2.526 -7.755 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.418 1.533 -8.438 1.00 0.45 H new ATOM 1460 N ALA A 94 8.445 -1.026 -7.037 1.00 0.33 N ATOM 1461 CA ALA A 94 9.322 -1.630 -6.054 1.00 0.28 C ATOM 1462 C ALA A 94 10.474 -0.700 -5.704 1.00 0.29 C ATOM 1463 O ALA A 94 11.247 -0.301 -6.574 1.00 0.41 O ATOM 1464 CB ALA A 94 9.852 -2.958 -6.563 1.00 0.34 C ATOM 0 H ALA A 94 8.581 -1.360 -7.991 1.00 0.33 H new ATOM 0 HA ALA A 94 8.742 -1.807 -5.148 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.509 -3.399 -5.813 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.018 -3.633 -6.756 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.410 -2.798 -7.485 1.00 0.34 H new ATOM 1470 N ILE A 95 10.585 -0.358 -4.428 1.00 0.25 N ATOM 1471 CA ILE A 95 11.650 0.528 -3.976 1.00 0.28 C ATOM 1472 C ILE A 95 12.783 -0.258 -3.333 1.00 0.26 C ATOM 1473 O ILE A 95 12.603 -0.884 -2.287 1.00 0.25 O ATOM 1474 CB ILE A 95 11.125 1.571 -2.976 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.967 2.348 -3.598 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.240 2.519 -2.552 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.607 1.847 -3.166 1.00 0.44 C ATOM 0 H ILE A 95 9.956 -0.678 -3.692 1.00 0.25 H new ATOM 0 HA ILE A 95 12.029 1.044 -4.858 1.00 0.28 H new ATOM 0 HB ILE A 95 10.766 1.054 -2.086 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.060 3.401 -3.330 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.040 2.287 -4.684 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.847 3.249 -1.844 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.041 1.950 -2.080 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.630 3.037 -3.428 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.831 2.443 -3.645 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.494 0.803 -3.458 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.515 1.933 -2.083 1.00 0.44 H new ATOM 1489 N THR A 96 13.953 -0.219 -3.969 1.00 0.29 N ATOM 1490 CA THR A 96 15.126 -0.926 -3.467 1.00 0.32 C ATOM 1491 C THR A 96 15.374 -0.584 -2.005 1.00 0.32 C ATOM 1492 O THR A 96 15.650 -1.463 -1.189 1.00 0.38 O ATOM 1493 CB THR A 96 16.360 -0.570 -4.299 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.127 -0.819 -5.674 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.597 -1.342 -3.894 1.00 0.43 C ATOM 0 H THR A 96 14.112 0.296 -4.835 1.00 0.29 H new ATOM 0 HA THR A 96 14.938 -1.997 -3.550 1.00 0.32 H new ATOM 0 HB THR A 96 16.537 0.490 -4.115 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.927 -0.584 -6.189 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.435 -1.042 -4.523 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.832 -1.131 -2.851 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.416 -2.410 -4.016 1.00 0.43 H new ATOM 1503 N CYS A 97 15.270 0.698 -1.678 1.00 0.32 N ATOM 1504 CA CYS A 97 15.477 1.150 -0.309 1.00 0.36 C ATOM 1505 C CYS A 97 16.901 0.859 0.152 1.00 0.43 C ATOM 1506 O CYS A 97 17.123 0.032 1.022 1.00 0.64 O ATOM 1507 CB CYS A 97 14.470 0.457 0.609 1.00 0.38 C ATOM 1508 SG CYS A 97 14.549 0.948 2.342 1.00 1.10 S ATOM 0 H CYS A 97 15.044 1.441 -2.340 1.00 0.32 H new ATOM 0 HA CYS A 97 15.327 2.229 -0.267 1.00 0.36 H new ATOM 0 HB2 CYS A 97 13.465 0.657 0.237 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.625 -0.620 0.545 1.00 0.38 H new ATOM 0 HG CYS A 97 13.650 0.297 3.019 1.00 1.10 H new ATOM 1514 N ARG A 98 17.864 1.548 -0.439 1.00 0.53 N ATOM 1515 CA ARG A 98 19.268 1.353 -0.079 1.00 0.63 C ATOM 1516 C ARG A 98 19.844 2.599 0.579 1.00 0.80 C ATOM 1517 O ARG A 98 19.877 2.711 1.804 1.00 1.04 O ATOM 1518 CB ARG A 98 20.102 0.969 -1.309 1.00 0.68 C ATOM 1519 CG ARG A 98 19.558 1.510 -2.623 1.00 0.74 C ATOM 1520 CD ARG A 98 20.670 1.749 -3.634 1.00 0.92 C ATOM 1521 NE ARG A 98 20.893 0.588 -4.495 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.688 -0.432 -4.179 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.340 -0.443 -3.023 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.834 -1.446 -5.023 1.00 2.68 N ATOM 0 H ARG A 98 17.705 2.245 -1.167 1.00 0.53 H new ATOM 0 HA ARG A 98 19.313 0.534 0.639 1.00 0.63 H new ATOM 0 HB2 ARG A 98 21.120 1.333 -1.172 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.158 -0.118 -1.372 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.836 0.806 -3.036 1.00 0.74 H new ATOM 0 HG3 ARG A 98 19.025 2.443 -2.440 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.419 2.613 -4.250 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.593 1.990 -3.106 1.00 0.92 H new ATOM 0 HE ARG A 98 20.410 0.558 -5.393 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.234 0.333 -2.370 1.00 3.00 H new ATOM 0 HH12 ARG A 98 22.947 -1.228 -2.788 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.337 -1.444 -5.914 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.443 -2.227 -4.781 1.00 2.68 H new ATOM 1538 N ASP A 99 20.292 3.530 -0.243 1.00 0.92 N ATOM 1539 CA ASP A 99 20.864 4.777 0.248 1.00 1.20 C ATOM 1540 C ASP A 99 20.110 5.986 -0.309 1.00 1.03 C ATOM 1541 O ASP A 99 20.442 7.129 0.004 1.00 1.20 O ATOM 1542 CB ASP A 99 22.342 4.866 -0.134 1.00 1.61 C ATOM 1543 CG ASP A 99 22.549 4.965 -1.632 1.00 1.71 C ATOM 1544 OD1 ASP A 99 22.158 5.995 -2.219 1.00 2.14 O ATOM 1545 OD2 ASP A 99 23.102 4.011 -2.219 1.00 2.08 O ATOM 0 H ASP A 99 20.272 3.448 -1.260 1.00 0.92 H new ATOM 0 HA ASP A 99 20.771 4.785 1.334 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.787 5.736 0.349 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.865 3.988 0.245 1.00 1.61 H new ATOM 1550 N ASP A 100 19.094 5.729 -1.137 1.00 0.85 N ATOM 1551 CA ASP A 100 18.301 6.798 -1.732 1.00 0.92 C ATOM 1552 C ASP A 100 19.193 7.876 -2.337 1.00 1.22 C ATOM 1553 O ASP A 100 18.795 9.035 -2.456 1.00 1.38 O ATOM 1554 CB ASP A 100 17.365 7.407 -0.687 1.00 0.87 C ATOM 1555 CG ASP A 100 15.904 7.248 -1.060 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.466 6.098 -1.267 1.00 2.06 O ATOM 1557 OD2 ASP A 100 15.198 8.275 -1.146 1.00 2.03 O ATOM 0 H ASP A 100 18.804 4.789 -1.408 1.00 0.85 H new ATOM 0 HA ASP A 100 17.703 6.368 -2.535 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.545 6.934 0.278 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.595 8.466 -0.570 1.00 0.87 H new ATOM 1562 N VAL A 101 20.399 7.481 -2.721 1.00 1.43 N ATOM 1563 CA VAL A 101 21.356 8.400 -3.320 1.00 1.90 C ATOM 1564 C VAL A 101 22.367 7.647 -4.176 1.00 2.23 C ATOM 1565 O VAL A 101 23.484 8.116 -4.395 1.00 2.80 O ATOM 1566 CB VAL A 101 22.113 9.194 -2.243 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.942 8.253 -1.385 1.00 2.22 C ATOM 1568 CG2 VAL A 101 22.986 10.261 -2.884 1.00 2.67 C ATOM 0 H VAL A 101 20.739 6.524 -2.627 1.00 1.43 H new ATOM 0 HA VAL A 101 20.790 9.091 -3.945 1.00 1.90 H new ATOM 0 HB VAL A 101 21.389 9.695 -1.600 1.00 2.20 H new ATOM 0 HG11 VAL A 101 23.474 8.826 -0.626 1.00 2.22 H new ATOM 0 HG12 VAL A 101 22.286 7.530 -0.900 1.00 2.22 H new ATOM 0 HG13 VAL A 101 23.661 7.727 -2.013 1.00 2.22 H new ATOM 0 HG21 VAL A 101 23.515 10.814 -2.107 1.00 2.67 H new ATOM 0 HG22 VAL A 101 23.709 9.788 -3.549 1.00 2.67 H new ATOM 0 HG23 VAL A 101 22.361 10.947 -3.456 1.00 2.67 H new ATOM 1578 N GLU A 102 21.970 6.474 -4.653 1.00 1.99 N ATOM 1579 CA GLU A 102 22.844 5.653 -5.479 1.00 2.40 C ATOM 1580 C GLU A 102 22.159 5.276 -6.786 1.00 2.00 C ATOM 1581 O GLU A 102 22.775 5.292 -7.852 1.00 2.49 O ATOM 1582 CB GLU A 102 23.245 4.386 -4.723 1.00 3.22 C ATOM 1583 CG GLU A 102 23.443 4.595 -3.229 1.00 3.87 C ATOM 1584 CD GLU A 102 22.242 4.160 -2.413 1.00 4.18 C ATOM 1585 OE1 GLU A 102 21.112 4.566 -2.757 1.00 4.58 O ATOM 1586 OE2 GLU A 102 22.431 3.415 -1.428 1.00 4.47 O ATOM 0 H GLU A 102 21.049 6.071 -4.482 1.00 1.99 H new ATOM 0 HA GLU A 102 23.737 6.234 -5.710 1.00 2.40 H new ATOM 0 HB2 GLU A 102 22.478 3.626 -4.875 1.00 3.22 H new ATOM 0 HB3 GLU A 102 24.169 3.997 -5.151 1.00 3.22 H new ATOM 0 HG2 GLU A 102 24.321 4.038 -2.902 1.00 3.87 H new ATOM 0 HG3 GLU A 102 23.645 5.649 -3.037 1.00 3.87 H new ATOM 1593 N ALA A 103 20.880 4.936 -6.692 1.00 1.84 N ATOM 1594 CA ALA A 103 20.101 4.549 -7.859 1.00 2.56 C ATOM 1595 C ALA A 103 19.979 5.704 -8.847 1.00 3.21 C ATOM 1596 O ALA A 103 20.590 5.620 -9.933 1.00 3.72 O ATOM 1597 CB ALA A 103 18.725 4.068 -7.432 1.00 3.26 C ATOM 1598 OXT ALA A 103 19.271 6.682 -8.527 1.00 3.79 O ATOM 0 H ALA A 103 20.359 4.921 -5.815 1.00 1.84 H new ATOM 0 HA ALA A 103 20.621 3.733 -8.361 1.00 2.56 H new ATOM 0 HB1 ALA A 103 18.150 3.781 -8.313 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.829 3.208 -6.771 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.206 4.870 -6.906 1.00 3.26 H new TER 1604 ALA A 103