USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 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: B 61 SER OG : rot 82:sc= 1.11 USER MOD Set 1.2: B 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 46 SER OG : rot -25:sc= 0.838 USER MOD Set 2.2: B 83 ASN : amide:sc= 1.95 K(o=2.8,f=-1.8) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.16) USER MOD Set 3.2: A 71 TYR OH : rot -131:sc= 1.27 USER MOD Set 4.1: A 46 SER OG : rot -36:sc= 1.04 USER MOD Set 4.2: A 83 ASN : amide:sc= 0.294 K(o=1.3,f=-0.91) USER MOD Set 5.1: A 37 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.07) USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= -0.057 USER MOD Set 6.1: A 26 SER OG : rot -72:sc= 0.809 USER MOD Set 6.2: A 28 GLN : amide:sc= 0.928 K(o=1.2,f=-1.1) USER MOD Set 6.3: B 24 GLN : amide:sc= -0.503 K(o=1.2,f=-1.7!) USER MOD Set 6.4: B 73 HIS : no HD1:sc= 0 X(o=1.2,f=0.97) USER MOD Set 7.1: A 24 GLN : amide:sc= 1.06 K(o=2.2,f=-1.7) USER MOD Set 7.2: B 26 SER OG : rot 104:sc= 1.19 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc=-0.00856 (180deg=-0.134) USER MOD Single : A 31 SER OG : rot -83:sc= 0.627 USER MOD Single : A 32 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-5.7!) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0465) USER MOD Single : A 42 ASN : amide:sc= -0.356 K(o=-0.36,f=-1!) USER MOD Single : A 44 SER OG : rot 44:sc= 0.36 USER MOD Single : A 45 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.2) USER MOD Single : A 49 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.35) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.006 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 2.08 (180deg=2.05) USER MOD Single : A 61 SER OG : rot -84:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0407 USER MOD Single : A 73 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD Single : A 80 HIS : no HE2:sc= 0.983 K(o=0.98,f=-5.6!) USER MOD Single : A 91 TYR OH : rot 1:sc= 0.89 USER MOD Single : A 92 ASN : amide:sc= 0.388 K(o=0.39,f=-8.2!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= -2.02! C(o=-2!,f=-3.3!) USER MOD Single : B 31 SER OG : rot 76:sc= 1.18 USER MOD Single : B 32 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-4.2!) USER MOD Single : B 34 LYS NZ :NH3+ -138:sc= 0.117 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.28) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -0.385 K(o=-0.38,f=-3.8!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -1.68 K(o=-1.7,f=-6.3!) USER MOD Single : B 49 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.02) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= -0.0247 USER MOD Single : B 54 SER OG : rot 180:sc= 0.00667 USER MOD Single : B 59 LYS NZ :NH3+ -145:sc= 0.102 (180deg=-0.0576) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 91 TYR OH : rot 52:sc= 1.21 USER MOD Single : B 92 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.286 -4.761 -9.169 1.00 0.00 N ATOM 2 CA ALA A 22 -6.512 -4.143 -7.843 1.00 0.00 C ATOM 3 C ALA A 22 -5.195 -3.685 -7.236 1.00 0.00 C ATOM 4 O ALA A 22 -4.189 -4.386 -7.321 1.00 0.00 O ATOM 5 CB ALA A 22 -7.217 -5.123 -6.917 1.00 0.00 C ATOM 0 HA ALA A 22 -7.150 -3.269 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.377 -4.655 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.179 -5.403 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.602 -6.014 -6.794 1.00 0.00 H new ATOM 13 N GLU A 23 -5.211 -2.509 -6.622 1.00 0.00 N ATOM 14 CA GLU A 23 -4.008 -1.921 -6.041 1.00 0.00 C ATOM 15 C GLU A 23 -4.158 -1.745 -4.537 1.00 0.00 C ATOM 16 O GLU A 23 -5.265 -1.527 -4.039 1.00 0.00 O ATOM 17 CB GLU A 23 -3.725 -0.566 -6.693 1.00 0.00 C ATOM 18 CG GLU A 23 -3.081 -0.669 -8.064 1.00 0.00 C ATOM 19 CD GLU A 23 -1.605 -1.001 -7.979 1.00 0.00 C ATOM 20 OE1 GLU A 23 -1.261 -2.094 -7.480 1.00 0.00 O ATOM 21 OE2 GLU A 23 -0.786 -0.156 -8.386 1.00 0.00 O ATOM 0 H GLU A 23 -6.050 -1.939 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.174 -2.598 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.660 -0.013 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.074 0.013 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.591 -1.436 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.210 0.274 -8.596 1.00 0.00 H new ATOM 28 N GLN A 24 -3.051 -1.860 -3.813 1.00 0.00 N ATOM 29 CA GLN A 24 -3.060 -1.597 -2.383 1.00 0.00 C ATOM 30 C GLN A 24 -2.872 -0.115 -2.128 1.00 0.00 C ATOM 31 O GLN A 24 -1.876 0.478 -2.546 1.00 0.00 O ATOM 32 CB GLN A 24 -1.970 -2.376 -1.641 1.00 0.00 C ATOM 33 CG GLN A 24 -2.070 -2.209 -0.130 1.00 0.00 C ATOM 34 CD GLN A 24 -1.027 -2.984 0.654 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.300 -3.439 1.764 1.00 0.00 O ATOM 36 NE2 GLN A 24 0.173 -3.109 0.114 1.00 0.00 N ATOM 0 H GLN A 24 -2.143 -2.132 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.027 -1.928 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.046 -3.434 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.990 -2.037 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.978 -1.151 0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.061 -2.526 0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.360 -2.718 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.912 -3.597 0.620 1.00 0.00 H new ATOM 45 N VAL A 25 -3.835 0.480 -1.452 1.00 0.00 N ATOM 46 CA VAL A 25 -3.756 1.886 -1.102 1.00 0.00 C ATOM 47 C VAL A 25 -3.605 2.052 0.404 1.00 0.00 C ATOM 48 O VAL A 25 -4.140 1.258 1.190 1.00 0.00 O ATOM 49 CB VAL A 25 -4.992 2.673 -1.591 1.00 0.00 C ATOM 50 CG1 VAL A 25 -5.020 2.734 -3.110 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.277 2.054 -1.058 1.00 0.00 C ATOM 0 H VAL A 25 -4.683 0.011 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.878 2.293 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.920 3.690 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.898 3.292 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.119 3.231 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.063 1.723 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.133 2.626 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.357 1.025 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.263 2.067 0.032 1.00 0.00 H new ATOM 61 N SER A 26 -2.861 3.064 0.807 1.00 0.00 N ATOM 62 CA SER A 26 -2.679 3.358 2.212 1.00 0.00 C ATOM 63 C SER A 26 -3.921 4.048 2.760 1.00 0.00 C ATOM 64 O SER A 26 -4.725 4.591 1.999 1.00 0.00 O ATOM 65 CB SER A 26 -1.445 4.240 2.414 1.00 0.00 C ATOM 66 OG SER A 26 -1.560 5.451 1.690 1.00 0.00 O ATOM 0 H SER A 26 -2.371 3.698 0.176 1.00 0.00 H new ATOM 0 HA SER A 26 -2.527 2.424 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.319 4.457 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.553 3.703 2.091 1.00 0.00 H new ATOM 0 HG SER A 26 -1.454 5.271 0.733 1.00 0.00 H new ATOM 72 N LYS A 27 -4.077 4.041 4.078 1.00 0.00 N ATOM 73 CA LYS A 27 -5.236 4.670 4.700 1.00 0.00 C ATOM 74 C LYS A 27 -5.166 6.184 4.509 1.00 0.00 C ATOM 75 O LYS A 27 -6.163 6.891 4.644 1.00 0.00 O ATOM 76 CB LYS A 27 -5.306 4.313 6.187 1.00 0.00 C ATOM 77 CG LYS A 27 -6.632 4.675 6.834 1.00 0.00 C ATOM 78 CD LYS A 27 -6.675 4.281 8.301 1.00 0.00 C ATOM 79 CE LYS A 27 -8.020 4.630 8.920 1.00 0.00 C ATOM 80 NZ LYS A 27 -8.259 6.099 8.948 1.00 0.00 N ATOM 0 H LYS A 27 -3.423 3.611 4.732 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.142 4.298 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.133 3.243 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.501 4.826 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.800 5.748 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.443 4.179 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.492 3.211 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.878 4.792 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.816 4.144 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.064 4.236 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.090 6.304 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.426 6.579 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.429 6.442 7.981 1.00 0.00 H new ATOM 94 N GLN A 28 -3.977 6.654 4.164 1.00 0.00 N ATOM 95 CA GLN A 28 -3.736 8.064 3.903 1.00 0.00 C ATOM 96 C GLN A 28 -4.305 8.455 2.541 1.00 0.00 C ATOM 97 O GLN A 28 -4.820 9.560 2.363 1.00 0.00 O ATOM 98 CB GLN A 28 -2.233 8.329 3.953 1.00 0.00 C ATOM 99 CG GLN A 28 -1.599 7.922 5.274 1.00 0.00 C ATOM 100 CD GLN A 28 -0.272 7.213 5.090 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.216 5.983 4.986 1.00 0.00 O ATOM 102 NE2 GLN A 28 0.802 7.977 5.051 1.00 0.00 N ATOM 0 H GLN A 28 -3.150 6.066 4.057 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.234 8.667 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.747 7.787 3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.051 9.390 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.450 8.809 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.284 7.269 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.711 8.989 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.723 7.556 4.931 1.00 0.00 H new ATOM 111 N GLU A 29 -4.216 7.535 1.586 1.00 0.00 N ATOM 112 CA GLU A 29 -4.790 7.742 0.261 1.00 0.00 C ATOM 113 C GLU A 29 -6.310 7.643 0.336 1.00 0.00 C ATOM 114 O GLU A 29 -7.034 8.409 -0.306 1.00 0.00 O ATOM 115 CB GLU A 29 -4.241 6.700 -0.722 1.00 0.00 C ATOM 116 CG GLU A 29 -2.749 6.836 -0.994 1.00 0.00 C ATOM 117 CD GLU A 29 -2.154 5.604 -1.653 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.181 5.508 -2.899 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.654 4.724 -0.918 1.00 0.00 O ATOM 0 H GLU A 29 -3.750 6.636 1.706 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.515 8.735 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.439 5.703 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.782 6.784 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.579 7.702 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.229 7.026 -0.055 1.00 0.00 H new ATOM 126 N ILE A 30 -6.778 6.708 1.158 1.00 0.00 N ATOM 127 CA ILE A 30 -8.205 6.448 1.319 1.00 0.00 C ATOM 128 C ILE A 30 -8.951 7.668 1.853 1.00 0.00 C ATOM 129 O ILE A 30 -9.973 8.067 1.299 1.00 0.00 O ATOM 130 CB ILE A 30 -8.448 5.256 2.269 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.813 3.987 1.699 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.940 5.049 2.500 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.891 2.796 2.629 1.00 0.00 C ATOM 0 H ILE A 30 -6.181 6.111 1.730 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.590 6.210 0.327 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.982 5.478 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.305 3.736 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.767 4.188 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.090 4.204 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.367 5.948 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.431 4.847 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.420 1.934 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.373 3.027 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.936 2.568 2.841 1.00 0.00 H new ATOM 145 N SER A 31 -8.436 8.266 2.919 1.00 0.00 N ATOM 146 CA SER A 31 -9.105 9.396 3.549 1.00 0.00 C ATOM 147 C SER A 31 -8.897 10.683 2.753 1.00 0.00 C ATOM 148 O SER A 31 -9.608 11.670 2.948 1.00 0.00 O ATOM 149 CB SER A 31 -8.603 9.566 4.984 1.00 0.00 C ATOM 150 OG SER A 31 -7.187 9.607 5.027 1.00 0.00 O ATOM 0 H SER A 31 -7.561 7.989 3.364 1.00 0.00 H new ATOM 0 HA SER A 31 -10.175 9.190 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.010 10.484 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.965 8.742 5.599 1.00 0.00 H new ATOM 0 HG SER A 31 -6.833 8.693 5.030 1.00 0.00 H new ATOM 156 N HIS A 32 -7.928 10.667 1.848 1.00 0.00 N ATOM 157 CA HIS A 32 -7.625 11.841 1.043 1.00 0.00 C ATOM 158 C HIS A 32 -8.624 11.972 -0.102 1.00 0.00 C ATOM 159 O HIS A 32 -9.326 12.975 -0.210 1.00 0.00 O ATOM 160 CB HIS A 32 -6.196 11.762 0.495 1.00 0.00 C ATOM 161 CG HIS A 32 -5.670 13.072 -0.009 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.837 13.878 0.736 1.00 0.00 N ATOM 163 CD2 HIS A 32 -5.853 13.711 -1.187 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.534 14.955 0.039 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.136 14.881 -1.132 1.00 0.00 N ATOM 0 H HIS A 32 -7.340 9.856 1.654 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.704 12.724 1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.535 11.393 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.167 11.033 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.452 13.365 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.899 15.763 0.371 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.079 15.578 -1.875 1.00 0.00 H new ATOM 174 N PHE A 33 -8.695 10.946 -0.944 1.00 0.00 N ATOM 175 CA PHE A 33 -9.593 10.961 -2.096 1.00 0.00 C ATOM 176 C PHE A 33 -10.990 10.503 -1.693 1.00 0.00 C ATOM 177 O PHE A 33 -11.938 10.604 -2.474 1.00 0.00 O ATOM 178 CB PHE A 33 -9.049 10.064 -3.211 1.00 0.00 C ATOM 179 CG PHE A 33 -7.712 10.500 -3.741 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.626 11.481 -4.715 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.542 9.930 -3.265 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.398 11.887 -5.204 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.312 10.330 -3.750 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.240 11.310 -4.721 1.00 0.00 C ATOM 0 H PHE A 33 -8.142 10.094 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.654 11.984 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.966 9.044 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.766 10.045 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.529 11.934 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.592 9.164 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.345 12.654 -5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.408 9.877 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.280 11.624 -5.102 1.00 0.00 H new ATOM 194 N LYS A 34 -11.090 10.000 -0.464 1.00 0.00 N ATOM 195 CA LYS A 34 -12.343 9.515 0.107 1.00 0.00 C ATOM 196 C LYS A 34 -12.884 8.324 -0.680 1.00 0.00 C ATOM 197 O LYS A 34 -13.694 8.474 -1.596 1.00 0.00 O ATOM 198 CB LYS A 34 -13.386 10.635 0.193 1.00 0.00 C ATOM 199 CG LYS A 34 -14.628 10.252 0.988 1.00 0.00 C ATOM 200 CD LYS A 34 -14.279 9.824 2.409 1.00 0.00 C ATOM 201 CE LYS A 34 -13.618 10.948 3.197 1.00 0.00 C ATOM 202 NZ LYS A 34 -14.543 12.088 3.434 1.00 0.00 N ATOM 0 H LYS A 34 -10.295 9.917 0.169 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.132 9.178 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.928 11.512 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.684 10.921 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.314 11.098 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.148 9.440 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.185 9.504 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.611 8.963 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.268 10.561 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.740 11.301 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.098 12.766 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.751 12.560 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.428 11.736 3.852 1.00 0.00 H new ATOM 216 N LEU A 35 -12.402 7.143 -0.327 1.00 0.00 N ATOM 217 CA LEU A 35 -12.844 5.911 -0.966 1.00 0.00 C ATOM 218 C LEU A 35 -13.939 5.249 -0.138 1.00 0.00 C ATOM 219 O LEU A 35 -14.000 5.423 1.082 1.00 0.00 O ATOM 220 CB LEU A 35 -11.663 4.952 -1.141 1.00 0.00 C ATOM 221 CG LEU A 35 -10.518 5.482 -2.008 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.372 4.483 -2.043 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.008 5.780 -3.417 1.00 0.00 C ATOM 0 H LEU A 35 -11.701 7.010 0.402 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.247 6.154 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.267 4.704 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.030 4.024 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.154 6.410 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.566 4.875 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.003 4.317 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.724 3.539 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.180 6.156 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.398 4.867 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.797 6.531 -3.377 1.00 0.00 H new ATOM 235 N VAL A 36 -14.798 4.492 -0.802 1.00 0.00 N ATOM 236 CA VAL A 36 -15.903 3.822 -0.135 1.00 0.00 C ATOM 237 C VAL A 36 -15.566 2.357 0.106 1.00 0.00 C ATOM 238 O VAL A 36 -15.146 1.646 -0.809 1.00 0.00 O ATOM 239 CB VAL A 36 -17.208 3.922 -0.956 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.351 3.205 -0.251 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.571 5.378 -1.206 1.00 0.00 C ATOM 0 H VAL A 36 -14.751 4.326 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.060 4.324 0.820 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.041 3.434 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.258 3.290 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.097 2.153 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.517 3.658 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.493 5.429 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.713 5.886 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.767 5.864 -1.759 1.00 0.00 H new ATOM 251 N LYS A 37 -15.731 1.919 1.345 1.00 0.00 N ATOM 252 CA LYS A 37 -15.467 0.536 1.704 1.00 0.00 C ATOM 253 C LYS A 37 -16.637 -0.348 1.289 1.00 0.00 C ATOM 254 O LYS A 37 -17.745 -0.218 1.812 1.00 0.00 O ATOM 255 CB LYS A 37 -15.212 0.413 3.208 1.00 0.00 C ATOM 256 CG LYS A 37 -14.901 -1.004 3.663 1.00 0.00 C ATOM 257 CD LYS A 37 -14.579 -1.053 5.147 1.00 0.00 C ATOM 258 CE LYS A 37 -14.306 -2.473 5.611 1.00 0.00 C ATOM 259 NZ LYS A 37 -13.892 -2.522 7.037 1.00 0.00 N ATOM 0 H LYS A 37 -16.047 2.503 2.119 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.574 0.203 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.381 1.063 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.088 0.774 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.753 -1.650 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.057 -1.394 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.710 -0.429 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.411 -0.637 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.202 -3.078 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.525 -2.913 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.522 -3.468 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.152 -1.812 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.712 -2.320 7.644 1.00 0.00 H new ATOM 273 N VAL A 38 -16.381 -1.235 0.342 1.00 0.00 N ATOM 274 CA VAL A 38 -17.397 -2.147 -0.159 1.00 0.00 C ATOM 275 C VAL A 38 -17.641 -3.267 0.845 1.00 0.00 C ATOM 276 O VAL A 38 -18.785 -3.610 1.152 1.00 0.00 O ATOM 277 CB VAL A 38 -16.984 -2.759 -1.516 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.080 -3.663 -2.064 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.640 -1.665 -2.515 1.00 0.00 C ATOM 0 H VAL A 38 -15.468 -1.344 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.313 -1.574 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.095 -3.369 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.763 -4.081 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.270 -4.473 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.992 -3.084 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.352 -2.117 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.509 -1.025 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.812 -1.069 -2.131 1.00 0.00 H new ATOM 289 N GLY A 39 -16.555 -3.814 1.373 1.00 0.00 N ATOM 290 CA GLY A 39 -16.656 -4.898 2.328 1.00 0.00 C ATOM 291 C GLY A 39 -15.313 -5.241 2.933 1.00 0.00 C ATOM 292 O GLY A 39 -14.331 -4.528 2.718 1.00 0.00 O ATOM 0 H GLY A 39 -15.602 -3.524 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.351 -4.621 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.068 -5.779 1.836 1.00 0.00 H new ATOM 296 N THR A 40 -15.266 -6.328 3.685 1.00 0.00 N ATOM 297 CA THR A 40 -14.037 -6.759 4.330 1.00 0.00 C ATOM 298 C THR A 40 -13.709 -8.196 3.935 1.00 0.00 C ATOM 299 O THR A 40 -14.600 -9.044 3.856 1.00 0.00 O ATOM 300 CB THR A 40 -14.163 -6.668 5.862 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.799 -5.434 6.223 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.798 -6.749 6.530 1.00 0.00 C ATOM 0 H THR A 40 -16.069 -6.931 3.864 1.00 0.00 H new ATOM 0 HA THR A 40 -13.234 -6.099 4.001 1.00 0.00 H new ATOM 0 HB THR A 40 -14.765 -7.509 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.879 -5.380 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.918 -6.682 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.324 -7.697 6.275 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.173 -5.926 6.182 1.00 0.00 H new ATOM 310 N ILE A 41 -12.437 -8.461 3.676 1.00 0.00 N ATOM 311 CA ILE A 41 -11.989 -9.795 3.307 1.00 0.00 C ATOM 312 C ILE A 41 -10.841 -10.230 4.206 1.00 0.00 C ATOM 313 O ILE A 41 -10.157 -9.398 4.802 1.00 0.00 O ATOM 314 CB ILE A 41 -11.525 -9.866 1.836 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.437 -8.820 1.565 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.706 -9.679 0.896 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.865 -8.878 0.165 1.00 0.00 C ATOM 0 H ILE A 41 -11.693 -7.765 3.715 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.842 -10.463 3.431 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.099 -10.853 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.851 -7.827 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.628 -8.957 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.361 -9.732 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.441 -10.464 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.164 -8.706 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.102 -8.108 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.419 -9.858 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.661 -8.710 -0.560 1.00 0.00 H new ATOM 329 N ASN A 42 -10.634 -11.529 4.312 1.00 0.00 N ATOM 330 CA ASN A 42 -9.526 -12.050 5.089 1.00 0.00 C ATOM 331 C ASN A 42 -8.915 -13.265 4.405 1.00 0.00 C ATOM 332 O ASN A 42 -9.608 -14.045 3.750 1.00 0.00 O ATOM 333 CB ASN A 42 -9.958 -12.374 6.534 1.00 0.00 C ATOM 334 CG ASN A 42 -11.113 -13.364 6.647 1.00 0.00 C ATOM 335 OD1 ASN A 42 -11.248 -14.295 5.856 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.965 -13.163 7.641 1.00 0.00 N ATOM 0 H ASN A 42 -11.217 -12.241 3.871 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.760 -11.277 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.100 -12.774 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.243 -11.446 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.760 -13.790 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.826 -12.381 8.281 1.00 0.00 H new ATOM 343 N VAL A 43 -7.607 -13.385 4.518 1.00 0.00 N ATOM 344 CA VAL A 43 -6.892 -14.530 3.988 1.00 0.00 C ATOM 345 C VAL A 43 -6.236 -15.292 5.126 1.00 0.00 C ATOM 346 O VAL A 43 -5.213 -14.867 5.661 1.00 0.00 O ATOM 347 CB VAL A 43 -5.818 -14.114 2.954 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.029 -15.322 2.471 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.457 -13.402 1.773 1.00 0.00 C ATOM 0 H VAL A 43 -7.012 -12.696 4.977 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.615 -15.166 3.477 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.130 -13.427 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.281 -15.002 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.533 -15.795 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.707 -16.036 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.685 -13.118 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.172 -14.068 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.974 -12.508 2.123 1.00 0.00 H new ATOM 359 N SER A 44 -6.857 -16.388 5.524 1.00 0.00 N ATOM 360 CA SER A 44 -6.321 -17.228 6.579 1.00 0.00 C ATOM 361 C SER A 44 -5.781 -18.525 5.992 1.00 0.00 C ATOM 362 O SER A 44 -6.530 -19.477 5.768 1.00 0.00 O ATOM 363 CB SER A 44 -7.406 -17.514 7.621 1.00 0.00 C ATOM 364 OG SER A 44 -8.588 -18.000 7.007 1.00 0.00 O ATOM 0 H SER A 44 -7.738 -16.718 5.130 1.00 0.00 H new ATOM 0 HA SER A 44 -5.500 -16.706 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.039 -18.246 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.629 -16.604 8.177 1.00 0.00 H new ATOM 0 HG SER A 44 -8.353 -18.664 6.325 1.00 0.00 H new ATOM 370 N GLN A 45 -4.487 -18.548 5.712 1.00 0.00 N ATOM 371 CA GLN A 45 -3.867 -19.717 5.109 1.00 0.00 C ATOM 372 C GLN A 45 -2.772 -20.268 6.009 1.00 0.00 C ATOM 373 O GLN A 45 -2.076 -19.515 6.688 1.00 0.00 O ATOM 374 CB GLN A 45 -3.304 -19.375 3.728 1.00 0.00 C ATOM 375 CG GLN A 45 -4.368 -18.940 2.728 1.00 0.00 C ATOM 376 CD GLN A 45 -5.491 -19.953 2.590 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.286 -21.158 2.763 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.684 -19.476 2.273 1.00 0.00 N ATOM 0 H GLN A 45 -3.848 -17.774 5.892 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.631 -20.485 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.567 -18.578 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.779 -20.245 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.784 -17.982 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.904 -18.784 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.813 -18.473 2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.475 -20.111 2.163 1.00 0.00 H new ATOM 387 N SER A 46 -2.609 -21.580 5.989 1.00 0.00 N ATOM 388 CA SER A 46 -1.706 -22.262 6.902 1.00 0.00 C ATOM 389 C SER A 46 -0.272 -22.282 6.367 1.00 0.00 C ATOM 390 O SER A 46 0.361 -23.335 6.294 1.00 0.00 O ATOM 391 CB SER A 46 -2.206 -23.689 7.139 1.00 0.00 C ATOM 392 OG SER A 46 -3.578 -23.687 7.508 1.00 0.00 O ATOM 0 H SER A 46 -3.096 -22.201 5.343 1.00 0.00 H new ATOM 0 HA SER A 46 -1.694 -21.716 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.069 -24.282 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.614 -24.161 7.923 1.00 0.00 H new ATOM 0 HG SER A 46 -3.766 -22.904 8.066 1.00 0.00 H new ATOM 398 N GLY A 47 0.229 -21.112 5.982 1.00 0.00 N ATOM 399 CA GLY A 47 1.616 -20.985 5.559 1.00 0.00 C ATOM 400 C GLY A 47 1.866 -21.467 4.140 1.00 0.00 C ATOM 401 O GLY A 47 2.488 -20.765 3.345 1.00 0.00 O ATOM 0 H GLY A 47 -0.304 -20.243 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.917 -19.940 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.249 -21.551 6.243 1.00 0.00 H new ATOM 405 N GLY A 48 1.379 -22.663 3.827 1.00 0.00 N ATOM 406 CA GLY A 48 1.621 -23.264 2.525 1.00 0.00 C ATOM 407 C GLY A 48 1.191 -22.385 1.364 1.00 0.00 C ATOM 408 O GLY A 48 1.917 -22.252 0.380 1.00 0.00 O ATOM 0 H GLY A 48 0.815 -23.233 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.684 -23.487 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.090 -24.214 2.468 1.00 0.00 H new ATOM 412 N GLN A 49 0.014 -21.784 1.476 1.00 0.00 N ATOM 413 CA GLN A 49 -0.508 -20.935 0.412 1.00 0.00 C ATOM 414 C GLN A 49 0.230 -19.603 0.358 1.00 0.00 C ATOM 415 O GLN A 49 0.638 -19.152 -0.712 1.00 0.00 O ATOM 416 CB GLN A 49 -2.005 -20.688 0.603 1.00 0.00 C ATOM 417 CG GLN A 49 -2.855 -21.939 0.468 1.00 0.00 C ATOM 418 CD GLN A 49 -2.669 -22.622 -0.871 1.00 0.00 C ATOM 419 OE1 GLN A 49 -1.827 -23.508 -1.018 1.00 0.00 O ATOM 420 NE2 GLN A 49 -3.437 -22.201 -1.859 1.00 0.00 N ATOM 0 H GLN A 49 -0.596 -21.868 2.289 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.351 -21.457 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.169 -20.253 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.339 -19.953 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.600 -22.636 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.905 -21.677 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.122 -21.464 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.345 -22.613 -2.788 1.00 0.00 H new ATOM 429 N ILE A 50 0.408 -18.982 1.511 1.00 0.00 N ATOM 430 CA ILE A 50 1.024 -17.667 1.573 1.00 0.00 C ATOM 431 C ILE A 50 2.477 -17.778 2.019 1.00 0.00 C ATOM 432 O ILE A 50 2.770 -17.813 3.212 1.00 0.00 O ATOM 433 CB ILE A 50 0.258 -16.726 2.529 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.231 -16.676 2.155 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.861 -15.326 2.503 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.494 -16.218 0.737 1.00 0.00 C ATOM 0 H ILE A 50 0.135 -19.366 2.416 1.00 0.00 H new ATOM 0 HA ILE A 50 0.985 -17.242 0.570 1.00 0.00 H new ATOM 0 HB ILE A 50 0.348 -17.119 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.663 -17.667 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.746 -16.006 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.307 -14.679 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.904 -15.373 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.803 -14.924 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.568 -16.210 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.094 -15.214 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.010 -16.900 0.039 1.00 0.00 H new ATOM 448 N SER A 51 3.377 -17.863 1.053 1.00 0.00 N ATOM 449 CA SER A 51 4.796 -17.976 1.345 1.00 0.00 C ATOM 450 C SER A 51 5.508 -16.647 1.102 1.00 0.00 C ATOM 451 O SER A 51 6.673 -16.474 1.460 1.00 0.00 O ATOM 452 CB SER A 51 5.411 -19.077 0.482 1.00 0.00 C ATOM 453 OG SER A 51 4.693 -20.292 0.635 1.00 0.00 O ATOM 0 H SER A 51 3.149 -17.856 0.059 1.00 0.00 H new ATOM 0 HA SER A 51 4.919 -18.235 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.403 -18.773 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.454 -19.227 0.763 1.00 0.00 H new ATOM 0 HG SER A 51 5.100 -20.985 0.074 1.00 0.00 H new ATOM 459 N SER A 52 4.801 -15.715 0.480 1.00 0.00 N ATOM 460 CA SER A 52 5.341 -14.394 0.205 1.00 0.00 C ATOM 461 C SER A 52 4.216 -13.361 0.192 1.00 0.00 C ATOM 462 O SER A 52 3.049 -13.718 0.011 1.00 0.00 O ATOM 463 CB SER A 52 6.069 -14.394 -1.146 1.00 0.00 C ATOM 464 OG SER A 52 7.133 -15.333 -1.159 1.00 0.00 O ATOM 0 H SER A 52 3.844 -15.852 0.154 1.00 0.00 H new ATOM 0 HA SER A 52 6.052 -14.133 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.363 -14.631 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.459 -13.397 -1.351 1.00 0.00 H new ATOM 0 HG SER A 52 7.577 -15.312 -2.032 1.00 0.00 H new ATOM 470 N PRO A 53 4.543 -12.069 0.394 1.00 0.00 N ATOM 471 CA PRO A 53 3.556 -10.983 0.328 1.00 0.00 C ATOM 472 C PRO A 53 2.850 -10.949 -1.023 1.00 0.00 C ATOM 473 O PRO A 53 1.694 -10.536 -1.126 1.00 0.00 O ATOM 474 CB PRO A 53 4.392 -9.714 0.526 1.00 0.00 C ATOM 475 CG PRO A 53 5.630 -10.172 1.214 1.00 0.00 C ATOM 476 CD PRO A 53 5.892 -11.566 0.718 1.00 0.00 C ATOM 0 HA PRO A 53 2.768 -11.099 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.623 -9.241 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.856 -8.978 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.468 -9.514 0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.501 -10.161 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.542 -11.566 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.378 -12.179 1.477 1.00 0.00 H new ATOM 484 N SER A 54 3.561 -11.401 -2.051 1.00 0.00 N ATOM 485 CA SER A 54 3.019 -11.486 -3.396 1.00 0.00 C ATOM 486 C SER A 54 1.789 -12.390 -3.426 1.00 0.00 C ATOM 487 O SER A 54 0.755 -12.020 -3.971 1.00 0.00 O ATOM 488 CB SER A 54 4.092 -12.022 -4.340 1.00 0.00 C ATOM 489 OG SER A 54 5.327 -11.361 -4.117 1.00 0.00 O ATOM 0 H SER A 54 4.527 -11.717 -1.972 1.00 0.00 H new ATOM 0 HA SER A 54 2.715 -10.491 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.215 -13.094 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.778 -11.880 -5.374 1.00 0.00 H new ATOM 0 HG SER A 54 6.004 -11.718 -4.729 1.00 0.00 H new ATOM 495 N ASP A 55 1.907 -13.567 -2.812 1.00 0.00 N ATOM 496 CA ASP A 55 0.801 -14.522 -2.753 1.00 0.00 C ATOM 497 C ASP A 55 -0.324 -13.964 -1.899 1.00 0.00 C ATOM 498 O ASP A 55 -1.504 -14.136 -2.206 1.00 0.00 O ATOM 499 CB ASP A 55 1.261 -15.856 -2.159 1.00 0.00 C ATOM 500 CG ASP A 55 2.421 -16.469 -2.911 1.00 0.00 C ATOM 501 OD1 ASP A 55 2.182 -17.247 -3.862 1.00 0.00 O ATOM 502 OD2 ASP A 55 3.580 -16.180 -2.552 1.00 0.00 O ATOM 0 H ASP A 55 2.759 -13.882 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 55 0.448 -14.689 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.549 -15.704 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.425 -16.555 -2.159 1.00 0.00 H new ATOM 507 N LEU A 56 0.060 -13.289 -0.823 1.00 0.00 N ATOM 508 CA LEU A 56 -0.897 -12.709 0.106 1.00 0.00 C ATOM 509 C LEU A 56 -1.793 -11.698 -0.593 1.00 0.00 C ATOM 510 O LEU A 56 -3.019 -11.829 -0.594 1.00 0.00 O ATOM 511 CB LEU A 56 -0.164 -12.032 1.265 1.00 0.00 C ATOM 512 CG LEU A 56 -1.073 -11.431 2.333 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.898 -12.521 2.997 1.00 0.00 C ATOM 514 CD2 LEU A 56 -0.253 -10.668 3.361 1.00 0.00 C ATOM 0 H LEU A 56 1.036 -13.130 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.520 -13.515 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.494 -12.762 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.472 -11.243 0.863 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.756 -10.728 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.542 -12.078 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.512 -13.020 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.233 -13.247 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.917 -10.246 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.454 -11.346 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.293 -9.864 2.867 1.00 0.00 H new ATOM 526 N ARG A 57 -1.178 -10.701 -1.207 1.00 0.00 N ATOM 527 CA ARG A 57 -1.930 -9.642 -1.851 1.00 0.00 C ATOM 528 C ARG A 57 -2.450 -10.081 -3.216 1.00 0.00 C ATOM 529 O ARG A 57 -3.204 -9.357 -3.866 1.00 0.00 O ATOM 530 CB ARG A 57 -1.094 -8.366 -1.942 1.00 0.00 C ATOM 531 CG ARG A 57 -0.864 -7.729 -0.579 1.00 0.00 C ATOM 532 CD ARG A 57 -0.379 -6.295 -0.689 1.00 0.00 C ATOM 533 NE ARG A 57 1.066 -6.200 -0.851 1.00 0.00 N ATOM 534 CZ ARG A 57 1.662 -5.689 -1.920 1.00 0.00 C ATOM 535 NH1 ARG A 57 0.943 -5.320 -2.979 1.00 0.00 N ATOM 536 NH2 ARG A 57 2.981 -5.556 -1.930 1.00 0.00 N ATOM 0 H ARG A 57 -0.165 -10.604 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.803 -9.421 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.132 -8.596 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.595 -7.651 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.792 -7.754 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.132 -8.316 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.868 -5.815 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.677 -5.746 0.204 1.00 0.00 H new ATOM 0 HE ARG A 57 1.656 -6.548 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.071 -5.430 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.407 -4.928 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.529 -5.846 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.448 -5.164 -2.748 1.00 0.00 H new ATOM 550 N GLU A 58 -2.060 -11.280 -3.634 1.00 0.00 N ATOM 551 CA GLU A 58 -2.644 -11.901 -4.815 1.00 0.00 C ATOM 552 C GLU A 58 -4.068 -12.329 -4.479 1.00 0.00 C ATOM 553 O GLU A 58 -4.994 -12.112 -5.254 1.00 0.00 O ATOM 554 CB GLU A 58 -1.793 -13.100 -5.264 1.00 0.00 C ATOM 555 CG GLU A 58 -2.111 -13.628 -6.659 1.00 0.00 C ATOM 556 CD GLU A 58 -3.355 -14.493 -6.709 1.00 0.00 C ATOM 557 OE1 GLU A 58 -3.391 -15.529 -6.012 1.00 0.00 O ATOM 558 OE2 GLU A 58 -4.291 -14.157 -7.466 1.00 0.00 O ATOM 0 H GLU A 58 -1.343 -11.840 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.667 -11.191 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.742 -12.813 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.925 -13.910 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.237 -12.785 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.261 -14.206 -7.023 1.00 0.00 H new ATOM 565 N LYS A 59 -4.240 -12.909 -3.295 1.00 0.00 N ATOM 566 CA LYS A 59 -5.570 -13.258 -2.814 1.00 0.00 C ATOM 567 C LYS A 59 -6.355 -12.013 -2.446 1.00 0.00 C ATOM 568 O LYS A 59 -7.559 -11.949 -2.655 1.00 0.00 O ATOM 569 CB LYS A 59 -5.507 -14.195 -1.609 1.00 0.00 C ATOM 570 CG LYS A 59 -5.536 -15.661 -1.986 1.00 0.00 C ATOM 571 CD LYS A 59 -4.235 -16.104 -2.624 1.00 0.00 C ATOM 572 CE LYS A 59 -4.411 -17.422 -3.343 1.00 0.00 C ATOM 573 NZ LYS A 59 -4.973 -17.238 -4.708 1.00 0.00 N ATOM 0 H LYS A 59 -3.481 -13.145 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.077 -13.777 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.597 -13.990 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.346 -13.981 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.727 -16.261 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.360 -15.842 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.892 -15.344 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.465 -16.202 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.449 -17.929 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.071 -18.067 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.205 -18.166 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.835 -16.659 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.272 -16.761 -5.310 1.00 0.00 H new ATOM 587 N LEU A 60 -5.669 -11.023 -1.899 1.00 0.00 N ATOM 588 CA LEU A 60 -6.320 -9.780 -1.520 1.00 0.00 C ATOM 589 C LEU A 60 -6.912 -9.083 -2.740 1.00 0.00 C ATOM 590 O LEU A 60 -7.992 -8.507 -2.665 1.00 0.00 O ATOM 591 CB LEU A 60 -5.343 -8.861 -0.788 1.00 0.00 C ATOM 592 CG LEU A 60 -4.809 -9.416 0.534 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.866 -8.423 1.185 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.955 -9.758 1.475 1.00 0.00 C ATOM 0 H LEU A 60 -4.667 -11.055 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.138 -10.018 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.499 -8.653 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.838 -7.909 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.255 -10.331 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.496 -8.834 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.026 -8.228 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.397 -7.492 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.554 -10.151 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.538 -8.860 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.595 -10.508 1.011 1.00 0.00 H new ATOM 606 N SER A 61 -6.216 -9.154 -3.868 1.00 0.00 N ATOM 607 CA SER A 61 -6.743 -8.614 -5.112 1.00 0.00 C ATOM 608 C SER A 61 -7.796 -9.558 -5.696 1.00 0.00 C ATOM 609 O SER A 61 -8.799 -9.114 -6.254 1.00 0.00 O ATOM 610 CB SER A 61 -5.606 -8.369 -6.109 1.00 0.00 C ATOM 611 OG SER A 61 -4.712 -9.467 -6.150 1.00 0.00 O ATOM 0 H SER A 61 -5.291 -9.578 -3.946 1.00 0.00 H new ATOM 0 HA SER A 61 -7.224 -7.657 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.021 -8.198 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.063 -7.466 -5.830 1.00 0.00 H new ATOM 0 HG SER A 61 -4.058 -9.383 -5.425 1.00 0.00 H new ATOM 617 N GLU A 62 -7.559 -10.859 -5.535 1.00 0.00 N ATOM 618 CA GLU A 62 -8.495 -11.892 -5.977 1.00 0.00 C ATOM 619 C GLU A 62 -9.869 -11.683 -5.343 1.00 0.00 C ATOM 620 O GLU A 62 -10.878 -11.541 -6.037 1.00 0.00 O ATOM 621 CB GLU A 62 -7.953 -13.277 -5.592 1.00 0.00 C ATOM 622 CG GLU A 62 -8.829 -14.442 -6.031 1.00 0.00 C ATOM 623 CD GLU A 62 -8.408 -15.759 -5.398 1.00 0.00 C ATOM 624 OE1 GLU A 62 -7.311 -16.262 -5.718 1.00 0.00 O ATOM 625 OE2 GLU A 62 -9.180 -16.307 -4.585 1.00 0.00 O ATOM 0 H GLU A 62 -6.715 -11.226 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.599 -11.827 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.962 -13.400 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.832 -13.318 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.866 -14.232 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.787 -14.535 -7.116 1.00 0.00 H new ATOM 632 N LEU A 63 -9.892 -11.642 -4.017 1.00 0.00 N ATOM 633 CA LEU A 63 -11.140 -11.552 -3.273 1.00 0.00 C ATOM 634 C LEU A 63 -11.774 -10.168 -3.424 1.00 0.00 C ATOM 635 O LEU A 63 -12.995 -10.043 -3.464 1.00 0.00 O ATOM 636 CB LEU A 63 -10.903 -11.855 -1.788 1.00 0.00 C ATOM 637 CG LEU A 63 -10.036 -13.084 -1.483 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.939 -13.303 0.018 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.577 -14.332 -2.166 1.00 0.00 C ATOM 0 H LEU A 63 -9.056 -11.670 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.826 -12.293 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.437 -10.983 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.871 -11.989 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.038 -12.894 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.321 -14.178 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.490 -12.427 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.937 -13.462 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.938 -15.183 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.590 -14.529 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.591 -14.179 -3.245 1.00 0.00 H new ATOM 651 N ALA A 64 -10.940 -9.134 -3.521 1.00 0.00 N ATOM 652 CA ALA A 64 -11.432 -7.760 -3.626 1.00 0.00 C ATOM 653 C ALA A 64 -12.210 -7.544 -4.917 1.00 0.00 C ATOM 654 O ALA A 64 -13.278 -6.923 -4.916 1.00 0.00 O ATOM 655 CB ALA A 64 -10.283 -6.765 -3.537 1.00 0.00 C ATOM 0 H ALA A 64 -9.924 -9.220 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.109 -7.592 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.673 -5.750 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.773 -6.883 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.579 -6.948 -4.349 1.00 0.00 H new ATOM 661 N ASP A 65 -11.679 -8.059 -6.019 1.00 0.00 N ATOM 662 CA ASP A 65 -12.337 -7.917 -7.312 1.00 0.00 C ATOM 663 C ASP A 65 -13.582 -8.797 -7.367 1.00 0.00 C ATOM 664 O ASP A 65 -14.577 -8.447 -8.002 1.00 0.00 O ATOM 665 CB ASP A 65 -11.383 -8.269 -8.455 1.00 0.00 C ATOM 666 CG ASP A 65 -11.960 -7.922 -9.814 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.969 -6.727 -10.171 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.401 -8.840 -10.535 1.00 0.00 O ATOM 0 H ASP A 65 -10.800 -8.576 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.635 -6.875 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.441 -7.738 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.156 -9.334 -8.421 1.00 0.00 H new ATOM 673 N ALA A 66 -13.523 -9.934 -6.677 1.00 0.00 N ATOM 674 CA ALA A 66 -14.670 -10.828 -6.573 1.00 0.00 C ATOM 675 C ALA A 66 -15.790 -10.175 -5.767 1.00 0.00 C ATOM 676 O ALA A 66 -16.970 -10.413 -6.019 1.00 0.00 O ATOM 677 CB ALA A 66 -14.259 -12.151 -5.946 1.00 0.00 C ATOM 0 H ALA A 66 -12.692 -10.257 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.044 -11.026 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.128 -12.806 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.496 -12.625 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.858 -11.972 -4.948 1.00 0.00 H new ATOM 683 N LYS A 67 -15.408 -9.360 -4.788 1.00 0.00 N ATOM 684 CA LYS A 67 -16.369 -8.583 -4.012 1.00 0.00 C ATOM 685 C LYS A 67 -16.985 -7.487 -4.872 1.00 0.00 C ATOM 686 O LYS A 67 -18.208 -7.366 -4.966 1.00 0.00 O ATOM 687 CB LYS A 67 -15.696 -7.951 -2.790 1.00 0.00 C ATOM 688 CG LYS A 67 -15.330 -8.940 -1.698 1.00 0.00 C ATOM 689 CD LYS A 67 -16.566 -9.506 -1.023 1.00 0.00 C ATOM 690 CE LYS A 67 -16.198 -10.420 0.131 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.397 -10.901 0.861 1.00 0.00 N ATOM 0 H LYS A 67 -14.436 -9.220 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.153 -9.261 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.793 -7.434 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.362 -7.196 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.742 -9.753 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.702 -8.448 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.189 -8.689 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.159 -10.058 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.637 -11.274 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.543 -9.888 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.102 -11.522 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.920 -10.088 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.011 -11.431 0.210 1.00 0.00 H new ATOM 705 N GLY A 68 -16.126 -6.702 -5.503 1.00 0.00 N ATOM 706 CA GLY A 68 -16.586 -5.601 -6.324 1.00 0.00 C ATOM 707 C GLY A 68 -15.876 -4.308 -5.984 1.00 0.00 C ATOM 708 O GLY A 68 -16.494 -3.242 -5.933 1.00 0.00 O ATOM 0 H GLY A 68 -15.112 -6.808 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.423 -5.839 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.660 -5.472 -6.189 1.00 0.00 H new ATOM 712 N GLY A 69 -14.577 -4.403 -5.739 1.00 0.00 N ATOM 713 CA GLY A 69 -13.791 -3.230 -5.419 1.00 0.00 C ATOM 714 C GLY A 69 -12.600 -3.083 -6.339 1.00 0.00 C ATOM 715 O GLY A 69 -12.345 -3.953 -7.172 1.00 0.00 O ATOM 0 H GLY A 69 -14.051 -5.277 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.418 -2.341 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.447 -3.294 -4.387 1.00 0.00 H new ATOM 719 N LYS A 70 -11.871 -1.989 -6.192 1.00 0.00 N ATOM 720 CA LYS A 70 -10.719 -1.717 -7.042 1.00 0.00 C ATOM 721 C LYS A 70 -9.447 -1.624 -6.212 1.00 0.00 C ATOM 722 O LYS A 70 -8.350 -1.918 -6.689 1.00 0.00 O ATOM 723 CB LYS A 70 -10.922 -0.408 -7.804 1.00 0.00 C ATOM 724 CG LYS A 70 -12.085 -0.434 -8.782 1.00 0.00 C ATOM 725 CD LYS A 70 -12.379 0.954 -9.326 1.00 0.00 C ATOM 726 CE LYS A 70 -11.164 1.568 -10.005 1.00 0.00 C ATOM 727 NZ LYS A 70 -11.417 2.974 -10.414 1.00 0.00 N ATOM 0 H LYS A 70 -12.056 -1.272 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.621 -2.539 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.082 0.397 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.008 -0.172 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.855 -1.109 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.972 -0.828 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.203 0.898 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.705 1.601 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.312 1.534 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.898 0.976 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.547 3.382 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.169 2.997 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.712 3.529 -9.585 1.00 0.00 H new ATOM 741 N TYR A 71 -9.605 -1.213 -4.966 1.00 0.00 N ATOM 742 CA TYR A 71 -8.473 -0.982 -4.090 1.00 0.00 C ATOM 743 C TYR A 71 -8.594 -1.859 -2.856 1.00 0.00 C ATOM 744 O TYR A 71 -9.670 -1.970 -2.274 1.00 0.00 O ATOM 745 CB TYR A 71 -8.427 0.494 -3.675 1.00 0.00 C ATOM 746 CG TYR A 71 -8.737 1.456 -4.805 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.752 1.861 -5.697 1.00 0.00 C ATOM 748 CD2 TYR A 71 -10.025 1.947 -4.985 1.00 0.00 C ATOM 749 CE1 TYR A 71 -8.043 2.728 -6.736 1.00 0.00 C ATOM 750 CE2 TYR A 71 -10.324 2.814 -6.017 1.00 0.00 C ATOM 751 CZ TYR A 71 -9.330 3.201 -6.890 1.00 0.00 C ATOM 752 OH TYR A 71 -9.627 4.056 -7.929 1.00 0.00 O ATOM 0 H TYR A 71 -10.513 -1.032 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.554 -1.232 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.139 0.657 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.437 0.720 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.743 1.494 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.807 1.644 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.267 3.033 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.330 3.187 -6.139 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.130 4.824 -7.587 1.00 0.00 H new ATOM 762 N TYR A 72 -7.507 -2.493 -2.461 1.00 0.00 N ATOM 763 CA TYR A 72 -7.515 -3.300 -1.255 1.00 0.00 C ATOM 764 C TYR A 72 -6.578 -2.688 -0.225 1.00 0.00 C ATOM 765 O TYR A 72 -5.574 -2.063 -0.575 1.00 0.00 O ATOM 766 CB TYR A 72 -7.148 -4.765 -1.551 1.00 0.00 C ATOM 767 CG TYR A 72 -5.763 -4.972 -2.124 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.540 -4.937 -3.496 1.00 0.00 C ATOM 769 CD2 TYR A 72 -4.679 -5.209 -1.291 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.275 -5.131 -4.018 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.414 -5.403 -1.805 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.215 -5.362 -3.168 1.00 0.00 C ATOM 773 OH TYR A 72 -1.949 -5.547 -3.680 1.00 0.00 O ATOM 0 H TYR A 72 -6.614 -2.466 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.526 -3.308 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.233 -5.339 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.879 -5.173 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.369 -4.755 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.828 -5.242 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.118 -5.102 -5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.582 -5.586 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.858 -5.044 -4.516 1.00 0.00 H new ATOM 783 N HIS A 73 -6.922 -2.841 1.041 1.00 0.00 N ATOM 784 CA HIS A 73 -6.159 -2.222 2.111 1.00 0.00 C ATOM 785 C HIS A 73 -6.034 -3.152 3.311 1.00 0.00 C ATOM 786 O HIS A 73 -7.023 -3.452 3.974 1.00 0.00 O ATOM 787 CB HIS A 73 -6.831 -0.907 2.526 1.00 0.00 C ATOM 788 CG HIS A 73 -6.208 -0.258 3.722 1.00 0.00 C ATOM 789 ND1 HIS A 73 -5.024 0.443 3.664 1.00 0.00 N ATOM 790 CD2 HIS A 73 -6.602 -0.225 5.016 1.00 0.00 C ATOM 791 CE1 HIS A 73 -4.714 0.875 4.872 1.00 0.00 C ATOM 792 NE2 HIS A 73 -5.657 0.486 5.710 1.00 0.00 N ATOM 0 H HIS A 73 -7.724 -3.388 1.354 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.153 -2.017 1.744 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.795 -0.212 1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.883 -1.099 2.736 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.473 0.603 2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.494 -0.675 5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.837 1.450 5.131 1.00 0.00 H new ATOM 801 N ILE A 74 -4.817 -3.596 3.589 1.00 0.00 N ATOM 802 CA ILE A 74 -4.559 -4.435 4.754 1.00 0.00 C ATOM 803 C ILE A 74 -4.662 -3.606 6.030 1.00 0.00 C ATOM 804 O ILE A 74 -4.045 -2.545 6.141 1.00 0.00 O ATOM 805 CB ILE A 74 -3.158 -5.083 4.694 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.967 -5.832 3.375 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.959 -6.029 5.874 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.587 -6.437 3.214 1.00 0.00 C ATOM 0 H ILE A 74 -3.992 -3.390 3.025 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.309 -5.226 4.755 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.411 -4.291 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.712 -6.625 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.153 -5.147 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.967 -6.478 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.053 -5.472 6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.715 -6.814 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.525 -6.952 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.837 -5.647 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.405 -7.148 4.020 1.00 0.00 H new ATOM 820 N ILE A 75 -5.455 -4.075 6.982 1.00 0.00 N ATOM 821 CA ILE A 75 -5.572 -3.399 8.267 1.00 0.00 C ATOM 822 C ILE A 75 -4.863 -4.186 9.361 1.00 0.00 C ATOM 823 O ILE A 75 -4.333 -3.607 10.311 1.00 0.00 O ATOM 824 CB ILE A 75 -7.045 -3.166 8.671 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.851 -4.467 8.577 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.662 -2.084 7.802 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.301 -4.319 8.989 1.00 0.00 C ATOM 0 H ILE A 75 -6.024 -4.916 6.891 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.094 -2.426 8.152 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.070 -2.833 9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.810 -4.836 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.379 -5.222 9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.700 -1.929 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.106 -1.155 7.928 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.623 -2.391 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.806 -5.281 8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.352 -3.981 10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.790 -3.589 8.344 1.00 0.00 H new ATOM 839 N ALA A 76 -4.838 -5.503 9.211 1.00 0.00 N ATOM 840 CA ALA A 76 -4.204 -6.371 10.188 1.00 0.00 C ATOM 841 C ALA A 76 -3.649 -7.618 9.517 1.00 0.00 C ATOM 842 O ALA A 76 -4.340 -8.269 8.740 1.00 0.00 O ATOM 843 CB ALA A 76 -5.196 -6.755 11.275 1.00 0.00 C ATOM 0 H ALA A 76 -5.252 -5.993 8.418 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.376 -5.828 10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.707 -7.406 12.000 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.552 -5.855 11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.040 -7.280 10.828 1.00 0.00 H new ATOM 849 N ALA A 77 -2.398 -7.934 9.804 1.00 0.00 N ATOM 850 CA ALA A 77 -1.775 -9.142 9.285 1.00 0.00 C ATOM 851 C ALA A 77 -1.125 -9.909 10.424 1.00 0.00 C ATOM 852 O ALA A 77 -0.003 -9.608 10.828 1.00 0.00 O ATOM 853 CB ALA A 77 -0.755 -8.804 8.207 1.00 0.00 C ATOM 0 H ALA A 77 -1.790 -7.368 10.397 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.542 -9.769 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.302 -9.723 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.251 -8.285 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.019 -8.162 8.627 1.00 0.00 H new ATOM 859 N ARG A 78 -1.840 -10.888 10.953 1.00 0.00 N ATOM 860 CA ARG A 78 -1.384 -11.598 12.134 1.00 0.00 C ATOM 861 C ARG A 78 -0.943 -13.014 11.790 1.00 0.00 C ATOM 862 O ARG A 78 -1.606 -13.723 11.031 1.00 0.00 O ATOM 863 CB ARG A 78 -2.489 -11.644 13.200 1.00 0.00 C ATOM 864 CG ARG A 78 -3.731 -12.411 12.769 1.00 0.00 C ATOM 865 CD ARG A 78 -4.730 -12.549 13.907 1.00 0.00 C ATOM 866 NE ARG A 78 -5.882 -13.368 13.524 1.00 0.00 N ATOM 867 CZ ARG A 78 -6.849 -13.743 14.364 1.00 0.00 C ATOM 868 NH1 ARG A 78 -6.794 -13.410 15.647 1.00 0.00 N ATOM 869 NH2 ARG A 78 -7.853 -14.484 13.921 1.00 0.00 N ATOM 0 H ARG A 78 -2.736 -11.208 10.584 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.527 -11.055 12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.088 -12.100 14.105 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.775 -10.624 13.457 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.203 -11.898 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.443 -13.401 12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.238 -12.996 14.771 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.072 -11.560 14.212 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.950 -13.671 12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.008 -12.863 15.999 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.538 -13.701 16.282 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.885 -14.766 12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.594 -14.773 14.559 1.00 0.00 H new ATOM 883 N GLU A 79 0.187 -13.418 12.345 1.00 0.00 N ATOM 884 CA GLU A 79 0.626 -14.795 12.233 1.00 0.00 C ATOM 885 C GLU A 79 -0.005 -15.580 13.376 1.00 0.00 C ATOM 886 O GLU A 79 0.560 -15.694 14.463 1.00 0.00 O ATOM 887 CB GLU A 79 2.153 -14.872 12.277 1.00 0.00 C ATOM 888 CG GLU A 79 2.724 -16.191 11.781 1.00 0.00 C ATOM 889 CD GLU A 79 4.230 -16.143 11.638 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.719 -15.597 10.625 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.933 -16.634 12.542 1.00 0.00 O ATOM 0 H GLU A 79 0.814 -12.813 12.876 1.00 0.00 H new ATOM 0 HA GLU A 79 0.313 -15.222 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.564 -14.062 11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.485 -14.708 13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.452 -16.987 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.277 -16.440 10.819 1.00 0.00 H new ATOM 898 N HIS A 80 -1.197 -16.083 13.121 1.00 0.00 N ATOM 899 CA HIS A 80 -2.042 -16.639 14.165 1.00 0.00 C ATOM 900 C HIS A 80 -1.864 -18.147 14.251 1.00 0.00 C ATOM 901 O HIS A 80 -2.675 -18.915 13.725 1.00 0.00 O ATOM 902 CB HIS A 80 -3.499 -16.265 13.877 1.00 0.00 C ATOM 903 CG HIS A 80 -4.469 -16.578 14.975 1.00 0.00 C ATOM 904 ND1 HIS A 80 -5.735 -17.051 14.731 1.00 0.00 N ATOM 905 CD2 HIS A 80 -4.375 -16.437 16.317 1.00 0.00 C ATOM 906 CE1 HIS A 80 -6.381 -17.186 15.868 1.00 0.00 C ATOM 907 NE2 HIS A 80 -5.582 -16.822 16.851 1.00 0.00 N ATOM 0 H HIS A 80 -1.608 -16.119 12.188 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.754 -16.224 15.131 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.548 -15.197 13.665 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.818 -16.784 12.973 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.116 -17.265 13.809 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.513 -16.087 16.866 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.397 -17.537 15.978 1.00 0.00 H new ATOM 916 N GLY A 81 -0.783 -18.562 14.888 1.00 0.00 N ATOM 917 CA GLY A 81 -0.505 -19.969 15.044 1.00 0.00 C ATOM 918 C GLY A 81 -0.038 -20.599 13.754 1.00 0.00 C ATOM 919 O GLY A 81 0.967 -20.169 13.183 1.00 0.00 O ATOM 0 H GLY A 81 -0.088 -17.942 15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.257 -20.105 15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.403 -20.480 15.393 1.00 0.00 H new ATOM 923 N PRO A 82 -0.741 -21.623 13.268 1.00 0.00 N ATOM 924 CA PRO A 82 -0.421 -22.266 12.002 1.00 0.00 C ATOM 925 C PRO A 82 -0.990 -21.501 10.812 1.00 0.00 C ATOM 926 O PRO A 82 -0.655 -21.781 9.664 1.00 0.00 O ATOM 927 CB PRO A 82 -1.093 -23.629 12.130 1.00 0.00 C ATOM 928 CG PRO A 82 -2.276 -23.386 13.007 1.00 0.00 C ATOM 929 CD PRO A 82 -1.903 -22.253 13.932 1.00 0.00 C ATOM 0 HA PRO A 82 0.653 -22.318 11.822 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.394 -24.015 11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.418 -24.364 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.152 -23.128 12.412 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.528 -24.282 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.725 -21.548 14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.646 -22.617 14.927 1.00 0.00 H new ATOM 937 N ASN A 83 -1.844 -20.526 11.094 1.00 0.00 N ATOM 938 CA ASN A 83 -2.517 -19.788 10.038 1.00 0.00 C ATOM 939 C ASN A 83 -2.066 -18.342 10.005 1.00 0.00 C ATOM 940 O ASN A 83 -2.168 -17.622 10.997 1.00 0.00 O ATOM 941 CB ASN A 83 -4.038 -19.829 10.206 1.00 0.00 C ATOM 942 CG ASN A 83 -4.606 -21.230 10.149 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.814 -21.783 9.069 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.902 -21.796 11.307 1.00 0.00 N ATOM 0 H ASN A 83 -2.085 -20.230 12.040 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.248 -20.272 9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.304 -19.375 11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.500 -19.225 9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.319 -22.726 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.713 -21.302 12.179 1.00 0.00 H new ATOM 951 N PHE A 84 -1.571 -17.923 8.860 1.00 0.00 N ATOM 952 CA PHE A 84 -1.283 -16.524 8.637 1.00 0.00 C ATOM 953 C PHE A 84 -2.569 -15.843 8.203 1.00 0.00 C ATOM 954 O PHE A 84 -3.073 -16.095 7.108 1.00 0.00 O ATOM 955 CB PHE A 84 -0.191 -16.358 7.577 1.00 0.00 C ATOM 956 CG PHE A 84 0.205 -14.928 7.339 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.115 -14.299 8.173 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.335 -14.214 6.284 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.480 -12.984 7.957 1.00 0.00 C ATOM 960 CE2 PHE A 84 0.026 -12.901 6.062 1.00 0.00 C ATOM 961 CZ PHE A 84 0.934 -12.283 6.900 1.00 0.00 C ATOM 0 H PHE A 84 -1.360 -18.532 8.069 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.912 -16.067 9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.689 -16.924 7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.538 -16.791 6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.544 -14.843 9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.047 -14.690 5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.191 -12.505 8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.401 -12.356 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.216 -11.255 6.729 1.00 0.00 H new ATOM 971 N GLU A 85 -3.115 -15.017 9.077 1.00 0.00 N ATOM 972 CA GLU A 85 -4.406 -14.406 8.835 1.00 0.00 C ATOM 973 C GLU A 85 -4.266 -12.920 8.562 1.00 0.00 C ATOM 974 O GLU A 85 -3.971 -12.131 9.465 1.00 0.00 O ATOM 975 CB GLU A 85 -5.334 -14.644 10.028 1.00 0.00 C ATOM 976 CG GLU A 85 -5.677 -16.109 10.237 1.00 0.00 C ATOM 977 CD GLU A 85 -6.584 -16.337 11.424 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.564 -15.580 11.580 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.328 -17.276 12.206 1.00 0.00 O ATOM 0 H GLU A 85 -2.682 -14.754 9.962 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.841 -14.870 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.862 -14.256 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.255 -14.079 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.158 -16.496 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.757 -16.676 10.375 1.00 0.00 H new ATOM 986 N ALA A 86 -4.467 -12.546 7.313 1.00 0.00 N ATOM 987 CA ALA A 86 -4.420 -11.152 6.922 1.00 0.00 C ATOM 988 C ALA A 86 -5.817 -10.639 6.629 1.00 0.00 C ATOM 989 O ALA A 86 -6.534 -11.197 5.797 1.00 0.00 O ATOM 990 CB ALA A 86 -3.522 -10.963 5.714 1.00 0.00 C ATOM 0 H ALA A 86 -4.665 -13.192 6.549 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.004 -10.577 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.501 -9.909 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.512 -11.295 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.906 -11.550 4.880 1.00 0.00 H new ATOM 996 N VAL A 87 -6.202 -9.591 7.327 1.00 0.00 N ATOM 997 CA VAL A 87 -7.510 -8.990 7.151 1.00 0.00 C ATOM 998 C VAL A 87 -7.373 -7.683 6.378 1.00 0.00 C ATOM 999 O VAL A 87 -6.619 -6.786 6.778 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.193 -8.729 8.511 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.604 -8.191 8.315 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.212 -10.000 9.352 1.00 0.00 C ATOM 0 H VAL A 87 -5.621 -9.133 8.029 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.134 -9.685 6.589 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.615 -7.973 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.065 -8.015 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.562 -7.255 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.196 -8.918 7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.697 -9.797 10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.763 -10.778 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.190 -10.335 9.528 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.091 -7.584 5.271 1.00 0.00 N ATOM 1013 CA ALA A 88 -8.001 -6.425 4.404 1.00 0.00 C ATOM 1014 C ALA A 88 -9.384 -5.897 4.060 1.00 0.00 C ATOM 1015 O ALA A 88 -10.369 -6.634 4.084 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.235 -6.771 3.136 1.00 0.00 C ATOM 0 H ALA A 88 -8.746 -8.298 4.952 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.461 -5.642 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.176 -5.891 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.229 -7.098 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.751 -7.572 2.606 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.452 -4.620 3.751 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.704 -3.991 3.388 1.00 0.00 C ATOM 1024 C GLU A 89 -10.781 -3.821 1.877 1.00 0.00 C ATOM 1025 O GLU A 89 -9.761 -3.606 1.218 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.827 -2.630 4.065 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.558 -2.659 5.558 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.718 -1.298 6.200 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -9.906 -0.394 5.903 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -11.654 -1.130 7.005 1.00 0.00 O ATOM 0 H GLU A 89 -8.648 -3.992 3.744 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.524 -4.627 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.130 -1.937 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.830 -2.240 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.240 -3.364 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.546 -3.025 5.735 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.983 -3.927 1.336 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.201 -3.735 -0.089 1.00 0.00 C ATOM 1039 C VAL A 90 -12.759 -2.342 -0.342 1.00 0.00 C ATOM 1040 O VAL A 90 -13.870 -2.031 0.082 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.180 -4.785 -0.657 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.359 -4.606 -2.155 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.704 -6.194 -0.337 1.00 0.00 C ATOM 0 H VAL A 90 -12.827 -4.146 1.865 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.241 -3.851 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.149 -4.635 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.053 -5.358 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.756 -3.611 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.396 -4.720 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.409 -6.918 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.721 -6.355 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.641 -6.320 0.744 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.990 -1.505 -1.015 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.402 -0.136 -1.280 1.00 0.00 C ATOM 1055 C TYR A 91 -12.671 0.096 -2.759 1.00 0.00 C ATOM 1056 O TYR A 91 -12.070 -0.541 -3.632 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.344 0.857 -0.788 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.368 1.087 0.706 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -10.648 0.276 1.570 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -12.114 2.124 1.250 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -10.672 0.490 2.934 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.142 2.345 2.613 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.420 1.524 3.452 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.444 1.738 4.813 1.00 0.00 O ATOM 0 H TYR A 91 -11.073 -1.749 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.331 0.028 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.357 0.493 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.491 1.811 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.059 -0.536 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.682 2.769 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.106 -0.152 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.727 3.157 3.019 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.869 1.081 5.258 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.594 0.999 -3.027 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.892 1.437 -4.379 1.00 0.00 C ATOM 1076 C ASN A 92 -14.057 2.955 -4.362 1.00 0.00 C ATOM 1077 O ASN A 92 -14.169 3.546 -3.287 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.170 0.751 -4.883 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.254 0.674 -6.399 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -14.736 1.529 -7.111 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.905 -0.363 -6.900 1.00 0.00 N ATOM 0 H ASN A 92 -14.161 1.452 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.082 1.166 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.219 -0.257 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.038 1.292 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.990 -0.472 -7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.322 -1.053 -6.276 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.055 3.586 -5.527 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.208 5.038 -5.605 1.00 0.00 C ATOM 1090 C ASP A 93 -15.591 5.439 -5.119 1.00 0.00 C ATOM 1091 O ASP A 93 -16.536 4.648 -5.203 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.019 5.543 -7.041 1.00 0.00 C ATOM 1093 CG ASP A 93 -12.711 5.109 -7.667 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -11.658 5.696 -7.346 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -12.736 4.178 -8.498 1.00 0.00 O ATOM 0 H ASP A 93 -13.950 3.122 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.442 5.487 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.844 5.183 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.071 6.632 -7.044 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.719 6.659 -4.613 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.013 7.161 -4.179 1.00 0.00 C ATOM 1102 C ALA A 94 -17.900 7.419 -5.388 1.00 0.00 C ATOM 1103 O ALA A 94 -17.910 8.517 -5.946 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.859 8.420 -3.337 1.00 0.00 C ATOM 0 H ALA A 94 -14.947 7.315 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.486 6.405 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.843 8.773 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.259 8.197 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.365 9.193 -3.926 1.00 0.00 H new ATOM 1290 N ALA B 22 8.123 -0.055 -8.627 1.00 0.00 N ATOM 1291 CA ALA B 22 8.125 -0.300 -7.170 1.00 0.00 C ATOM 1292 C ALA B 22 6.700 -0.483 -6.668 1.00 0.00 C ATOM 1293 O ALA B 22 5.746 -0.124 -7.355 1.00 0.00 O ATOM 1294 CB ALA B 22 8.805 0.850 -6.442 1.00 0.00 C ATOM 0 HA ALA B 22 8.684 -1.213 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.799 0.656 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.834 0.942 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.269 1.777 -6.646 1.00 0.00 H new ATOM 1302 N GLU B 23 6.563 -1.041 -5.475 1.00 0.00 N ATOM 1303 CA GLU B 23 5.254 -1.286 -4.884 1.00 0.00 C ATOM 1304 C GLU B 23 5.143 -0.583 -3.534 1.00 0.00 C ATOM 1305 O GLU B 23 6.137 -0.439 -2.819 1.00 0.00 O ATOM 1306 CB GLU B 23 5.037 -2.795 -4.714 1.00 0.00 C ATOM 1307 CG GLU B 23 3.793 -3.168 -3.920 1.00 0.00 C ATOM 1308 CD GLU B 23 2.498 -2.831 -4.632 1.00 0.00 C ATOM 1309 OE1 GLU B 23 2.157 -1.637 -4.733 1.00 0.00 O ATOM 1310 OE2 GLU B 23 1.810 -3.772 -5.085 1.00 0.00 O ATOM 0 H GLU B 23 7.347 -1.335 -4.893 1.00 0.00 H new ATOM 0 HA GLU B 23 4.486 -0.887 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU B 23 4.974 -3.254 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU B 23 5.910 -3.221 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.814 -4.237 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.816 -2.652 -2.960 1.00 0.00 H new ATOM 1317 N GLN B 24 3.939 -0.143 -3.192 1.00 0.00 N ATOM 1318 CA GLN B 24 3.703 0.452 -1.890 1.00 0.00 C ATOM 1319 C GLN B 24 3.261 -0.630 -0.917 1.00 0.00 C ATOM 1320 O GLN B 24 2.290 -1.344 -1.168 1.00 0.00 O ATOM 1321 CB GLN B 24 2.646 1.555 -1.947 1.00 0.00 C ATOM 1322 CG GLN B 24 2.683 2.454 -0.720 1.00 0.00 C ATOM 1323 CD GLN B 24 1.421 3.267 -0.519 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.077 3.605 0.613 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.728 3.584 -1.601 1.00 0.00 N ATOM 0 H GLN B 24 3.118 -0.188 -3.796 1.00 0.00 H new ATOM 0 HA GLN B 24 4.635 0.907 -1.555 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.801 2.158 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.658 1.104 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.853 1.839 0.164 1.00 0.00 H new ATOM 0 HG3 GLN B 24 3.532 3.133 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.051 3.282 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.129 4.130 -1.516 1.00 0.00 H new ATOM 1334 N VAL B 25 3.977 -0.750 0.185 1.00 0.00 N ATOM 1335 CA VAL B 25 3.706 -1.795 1.159 1.00 0.00 C ATOM 1336 C VAL B 25 3.175 -1.214 2.466 1.00 0.00 C ATOM 1337 O VAL B 25 3.483 -0.074 2.830 1.00 0.00 O ATOM 1338 CB VAL B 25 4.969 -2.634 1.447 1.00 0.00 C ATOM 1339 CG1 VAL B 25 5.351 -3.463 0.229 1.00 0.00 C ATOM 1340 CG2 VAL B 25 6.127 -1.735 1.862 1.00 0.00 C ATOM 0 H VAL B 25 4.753 -0.136 0.430 1.00 0.00 H new ATOM 0 HA VAL B 25 2.943 -2.441 0.725 1.00 0.00 H new ATOM 0 HB VAL B 25 4.747 -3.313 2.270 1.00 0.00 H new ATOM 0 HG11 VAL B 25 6.244 -4.047 0.452 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.531 -4.135 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.552 -2.801 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL B 25 7.008 -2.345 2.061 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.347 -1.031 1.060 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.856 -1.185 2.763 1.00 0.00 H new ATOM 1350 N SER B 26 2.366 -1.998 3.158 1.00 0.00 N ATOM 1351 CA SER B 26 1.849 -1.607 4.458 1.00 0.00 C ATOM 1352 C SER B 26 2.889 -1.881 5.540 1.00 0.00 C ATOM 1353 O SER B 26 3.778 -2.714 5.358 1.00 0.00 O ATOM 1354 CB SER B 26 0.553 -2.360 4.765 1.00 0.00 C ATOM 1355 OG SER B 26 -0.487 -1.972 3.884 1.00 0.00 O ATOM 0 H SER B 26 2.052 -2.914 2.839 1.00 0.00 H new ATOM 0 HA SER B 26 1.633 -0.539 4.441 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.724 -3.433 4.679 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.252 -2.166 5.795 1.00 0.00 H new ATOM 0 HG SER B 26 -0.625 -2.672 3.212 1.00 0.00 H new ATOM 1361 N LYS B 27 2.772 -1.189 6.669 1.00 0.00 N ATOM 1362 CA LYS B 27 3.738 -1.337 7.754 1.00 0.00 C ATOM 1363 C LYS B 27 3.710 -2.758 8.308 1.00 0.00 C ATOM 1364 O LYS B 27 4.703 -3.245 8.847 1.00 0.00 O ATOM 1365 CB LYS B 27 3.465 -0.318 8.864 1.00 0.00 C ATOM 1366 CG LYS B 27 4.514 -0.326 9.967 1.00 0.00 C ATOM 1367 CD LYS B 27 4.327 0.833 10.930 1.00 0.00 C ATOM 1368 CE LYS B 27 5.396 0.833 12.010 1.00 0.00 C ATOM 1369 NZ LYS B 27 5.342 2.061 12.846 1.00 0.00 N ATOM 0 H LYS B 27 2.022 -0.523 6.857 1.00 0.00 H new ATOM 0 HA LYS B 27 4.734 -1.146 7.354 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.417 0.679 8.427 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.488 -0.522 9.301 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.458 -1.267 10.515 1.00 0.00 H new ATOM 0 HG3 LYS B 27 5.508 -0.274 9.524 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.362 1.774 10.381 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.341 0.770 11.391 1.00 0.00 H new ATOM 0 HE2 LYS B 27 5.270 -0.044 12.645 1.00 0.00 H new ATOM 0 HE3 LYS B 27 6.379 0.752 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.087 2.021 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 5.488 2.897 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.413 2.125 13.309 1.00 0.00 H new ATOM 1383 N GLN B 28 2.570 -3.420 8.158 1.00 0.00 N ATOM 1384 CA GLN B 28 2.432 -4.813 8.553 1.00 0.00 C ATOM 1385 C GLN B 28 3.405 -5.680 7.759 1.00 0.00 C ATOM 1386 O GLN B 28 4.089 -6.539 8.318 1.00 0.00 O ATOM 1387 CB GLN B 28 0.995 -5.309 8.336 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.069 -4.502 9.072 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.448 -3.218 8.354 1.00 0.00 C ATOM 1390 OE1 GLN B 28 0.144 -2.161 8.575 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.438 -3.304 7.481 1.00 0.00 N ATOM 0 H GLN B 28 1.724 -3.010 7.763 1.00 0.00 H new ATOM 0 HA GLN B 28 2.663 -4.889 9.615 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.774 -5.290 7.269 1.00 0.00 H new ATOM 0 HB3 GLN B 28 0.931 -6.349 8.656 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.960 -5.117 9.198 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.294 -4.259 10.071 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.904 -4.198 7.325 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.735 -2.477 6.964 1.00 0.00 H new ATOM 1400 N GLU B 29 3.477 -5.427 6.455 1.00 0.00 N ATOM 1401 CA GLU B 29 4.394 -6.147 5.578 1.00 0.00 C ATOM 1402 C GLU B 29 5.835 -5.808 5.946 1.00 0.00 C ATOM 1403 O GLU B 29 6.685 -6.689 6.062 1.00 0.00 O ATOM 1404 CB GLU B 29 4.127 -5.779 4.112 1.00 0.00 C ATOM 1405 CG GLU B 29 2.710 -6.091 3.647 1.00 0.00 C ATOM 1406 CD GLU B 29 2.440 -5.626 2.226 1.00 0.00 C ATOM 1407 OE1 GLU B 29 2.669 -6.415 1.280 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.990 -4.472 2.052 1.00 0.00 O ATOM 0 H GLU B 29 2.908 -4.725 5.981 1.00 0.00 H new ATOM 0 HA GLU B 29 4.235 -7.218 5.704 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.319 -4.715 3.974 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.833 -6.315 3.478 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.540 -7.166 3.711 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.998 -5.615 4.321 1.00 0.00 H new ATOM 1415 N ILE B 30 6.082 -4.521 6.159 1.00 0.00 N ATOM 1416 CA ILE B 30 7.410 -4.024 6.508 1.00 0.00 C ATOM 1417 C ILE B 30 7.931 -4.671 7.791 1.00 0.00 C ATOM 1418 O ILE B 30 9.076 -5.115 7.855 1.00 0.00 O ATOM 1419 CB ILE B 30 7.389 -2.490 6.698 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.840 -1.808 5.444 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.785 -1.969 7.020 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.609 -0.321 5.609 1.00 0.00 C ATOM 0 H ILE B 30 5.370 -3.793 6.095 1.00 0.00 H new ATOM 0 HA ILE B 30 8.074 -4.285 5.683 1.00 0.00 H new ATOM 0 HB ILE B 30 6.735 -2.255 7.537 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.535 -1.969 4.620 1.00 0.00 H new ATOM 0 HG13 ILE B 30 5.900 -2.284 5.165 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.749 -0.887 7.150 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.144 -2.433 7.939 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.462 -2.214 6.202 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.220 0.092 4.679 1.00 0.00 H new ATOM 0 HD12 ILE B 30 5.890 -0.151 6.410 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.551 0.168 5.857 1.00 0.00 H new ATOM 1434 N SER B 31 7.077 -4.736 8.801 1.00 0.00 N ATOM 1435 CA SER B 31 7.486 -5.204 10.117 1.00 0.00 C ATOM 1436 C SER B 31 7.608 -6.726 10.173 1.00 0.00 C ATOM 1437 O SER B 31 8.526 -7.256 10.798 1.00 0.00 O ATOM 1438 CB SER B 31 6.489 -4.719 11.169 1.00 0.00 C ATOM 1439 OG SER B 31 6.305 -3.316 11.080 1.00 0.00 O ATOM 0 H SER B 31 6.095 -4.470 8.734 1.00 0.00 H new ATOM 0 HA SER B 31 8.473 -4.791 10.324 1.00 0.00 H new ATOM 0 HB2 SER B 31 5.533 -5.225 11.031 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.848 -4.981 12.164 1.00 0.00 H new ATOM 0 HG SER B 31 5.738 -3.109 10.308 1.00 0.00 H new ATOM 1445 N HIS B 32 6.695 -7.431 9.514 1.00 0.00 N ATOM 1446 CA HIS B 32 6.653 -8.885 9.615 1.00 0.00 C ATOM 1447 C HIS B 32 7.664 -9.540 8.678 1.00 0.00 C ATOM 1448 O HIS B 32 8.185 -10.614 8.975 1.00 0.00 O ATOM 1449 CB HIS B 32 5.244 -9.408 9.314 1.00 0.00 C ATOM 1450 CG HIS B 32 5.002 -10.808 9.801 1.00 0.00 C ATOM 1451 ND1 HIS B 32 4.513 -11.084 11.058 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.178 -12.010 9.198 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.398 -12.387 11.209 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.792 -12.973 10.098 1.00 0.00 N ATOM 0 H HIS B 32 5.981 -7.024 8.910 1.00 0.00 H new ATOM 0 HA HIS B 32 6.918 -9.149 10.639 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.513 -8.742 9.773 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.075 -9.373 8.238 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.551 -12.178 8.199 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.041 -12.890 12.095 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.808 -13.979 9.932 1.00 0.00 H new ATOM 1463 N PHE B 33 7.937 -8.904 7.547 1.00 0.00 N ATOM 1464 CA PHE B 33 8.861 -9.472 6.573 1.00 0.00 C ATOM 1465 C PHE B 33 10.221 -8.787 6.635 1.00 0.00 C ATOM 1466 O PHE B 33 11.173 -9.237 5.999 1.00 0.00 O ATOM 1467 CB PHE B 33 8.279 -9.375 5.160 1.00 0.00 C ATOM 1468 CG PHE B 33 7.018 -10.175 4.981 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.078 -11.533 4.711 1.00 0.00 C ATOM 1470 CD2 PHE B 33 5.774 -9.572 5.086 1.00 0.00 C ATOM 1471 CE1 PHE B 33 5.923 -12.274 4.549 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.615 -10.309 4.926 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.690 -11.662 4.657 1.00 0.00 C ATOM 0 H PHE B 33 7.537 -8.004 7.282 1.00 0.00 H new ATOM 0 HA PHE B 33 9.003 -10.524 6.822 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.074 -8.330 4.930 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.024 -9.719 4.443 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.039 -12.018 4.626 1.00 0.00 H new ATOM 0 HD2 PHE B 33 5.709 -8.514 5.295 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.985 -13.331 4.338 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.652 -9.827 5.011 1.00 0.00 H new ATOM 0 HZ PHE B 33 3.786 -12.240 4.531 1.00 0.00 H new ATOM 1483 N LYS B 34 10.297 -7.707 7.415 1.00 0.00 N ATOM 1484 CA LYS B 34 11.539 -6.955 7.608 1.00 0.00 C ATOM 1485 C LYS B 34 12.012 -6.309 6.308 1.00 0.00 C ATOM 1486 O LYS B 34 12.769 -6.896 5.539 1.00 0.00 O ATOM 1487 CB LYS B 34 12.642 -7.843 8.198 1.00 0.00 C ATOM 1488 CG LYS B 34 12.974 -7.538 9.652 1.00 0.00 C ATOM 1489 CD LYS B 34 11.767 -7.699 10.564 1.00 0.00 C ATOM 1490 CE LYS B 34 12.134 -7.418 12.013 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.959 -7.495 12.920 1.00 0.00 N ATOM 0 H LYS B 34 9.501 -7.329 7.930 1.00 0.00 H new ATOM 0 HA LYS B 34 11.324 -6.159 8.320 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.336 -8.886 8.117 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.545 -7.729 7.599 1.00 0.00 H new ATOM 0 HG2 LYS B 34 13.771 -8.201 9.987 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.353 -6.519 9.730 1.00 0.00 H new ATOM 0 HD2 LYS B 34 10.975 -7.020 10.248 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.373 -8.711 10.475 1.00 0.00 H new ATOM 0 HE2 LYS B 34 12.889 -8.133 12.339 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.582 -6.427 12.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.997 -6.713 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 10.084 -7.424 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.972 -8.402 13.429 1.00 0.00 H new ATOM 1505 N LEU B 35 11.543 -5.099 6.060 1.00 0.00 N ATOM 1506 CA LEU B 35 11.964 -4.349 4.891 1.00 0.00 C ATOM 1507 C LEU B 35 12.924 -3.242 5.300 1.00 0.00 C ATOM 1508 O LEU B 35 12.629 -2.446 6.193 1.00 0.00 O ATOM 1509 CB LEU B 35 10.751 -3.774 4.158 1.00 0.00 C ATOM 1510 CG LEU B 35 9.785 -4.823 3.599 1.00 0.00 C ATOM 1511 CD1 LEU B 35 8.577 -4.155 2.967 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.491 -5.712 2.586 1.00 0.00 C ATOM 0 H LEU B 35 10.870 -4.615 6.654 1.00 0.00 H new ATOM 0 HA LEU B 35 12.483 -5.022 4.208 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.205 -3.124 4.842 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.102 -3.149 3.337 1.00 0.00 H new ATOM 0 HG LEU B 35 9.441 -5.446 4.425 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.903 -4.917 2.576 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.056 -3.560 3.717 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.904 -3.507 2.153 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.789 -6.451 2.199 1.00 0.00 H new ATOM 0 HD22 LEU B 35 10.864 -5.101 1.764 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.326 -6.221 3.068 1.00 0.00 H new ATOM 1524 N VAL B 36 14.075 -3.205 4.649 1.00 0.00 N ATOM 1525 CA VAL B 36 15.137 -2.280 5.018 1.00 0.00 C ATOM 1526 C VAL B 36 14.911 -0.909 4.393 1.00 0.00 C ATOM 1527 O VAL B 36 14.767 -0.790 3.178 1.00 0.00 O ATOM 1528 CB VAL B 36 16.517 -2.814 4.580 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.626 -1.885 5.045 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.741 -4.224 5.107 1.00 0.00 C ATOM 0 H VAL B 36 14.300 -3.808 3.858 1.00 0.00 H new ATOM 0 HA VAL B 36 15.118 -2.187 6.104 1.00 0.00 H new ATOM 0 HB VAL B 36 16.537 -2.850 3.491 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.590 -2.281 4.725 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.478 -0.896 4.611 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.607 -1.811 6.132 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.720 -4.581 4.787 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.696 -4.217 6.196 1.00 0.00 H new ATOM 0 HG23 VAL B 36 15.968 -4.886 4.716 1.00 0.00 H new ATOM 1540 N LYS B 37 14.874 0.120 5.229 1.00 0.00 N ATOM 1541 CA LYS B 37 14.698 1.485 4.754 1.00 0.00 C ATOM 1542 C LYS B 37 15.985 2.005 4.121 1.00 0.00 C ATOM 1543 O LYS B 37 17.018 2.113 4.783 1.00 0.00 O ATOM 1544 CB LYS B 37 14.265 2.396 5.905 1.00 0.00 C ATOM 1545 CG LYS B 37 14.116 3.857 5.508 1.00 0.00 C ATOM 1546 CD LYS B 37 13.615 4.700 6.668 1.00 0.00 C ATOM 1547 CE LYS B 37 13.581 6.176 6.310 1.00 0.00 C ATOM 1548 NZ LYS B 37 12.985 6.995 7.398 1.00 0.00 N ATOM 0 H LYS B 37 14.964 0.035 6.241 1.00 0.00 H new ATOM 0 HA LYS B 37 13.917 1.487 3.994 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.315 2.038 6.302 1.00 0.00 H new ATOM 0 HB3 LYS B 37 14.995 2.321 6.710 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.076 4.242 5.165 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.423 3.939 4.671 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.616 4.371 6.954 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.260 4.549 7.534 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.594 6.524 6.106 1.00 0.00 H new ATOM 0 HE3 LYS B 37 13.006 6.315 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.995 7.998 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 12.004 6.691 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 13.538 6.870 8.270 1.00 0.00 H new ATOM 1562 N VAL B 38 15.911 2.318 2.837 1.00 0.00 N ATOM 1563 CA VAL B 38 17.062 2.812 2.093 1.00 0.00 C ATOM 1564 C VAL B 38 17.152 4.331 2.192 1.00 0.00 C ATOM 1565 O VAL B 38 18.229 4.889 2.405 1.00 0.00 O ATOM 1566 CB VAL B 38 16.981 2.404 0.604 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.192 2.907 -0.168 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.849 0.895 0.469 1.00 0.00 C ATOM 0 H VAL B 38 15.058 2.238 2.283 1.00 0.00 H new ATOM 0 HA VAL B 38 17.953 2.365 2.534 1.00 0.00 H new ATOM 0 HB VAL B 38 16.093 2.868 0.176 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.109 2.606 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.237 3.994 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.099 2.482 0.261 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.793 0.628 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.716 0.412 0.921 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.943 0.562 0.976 1.00 0.00 H new ATOM 1578 N GLY B 39 16.011 4.990 2.055 1.00 0.00 N ATOM 1579 CA GLY B 39 15.988 6.436 2.074 1.00 0.00 C ATOM 1580 C GLY B 39 14.580 6.984 2.130 1.00 0.00 C ATOM 1581 O GLY B 39 13.635 6.252 2.426 1.00 0.00 O ATOM 0 H GLY B 39 15.100 4.548 1.931 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.550 6.795 2.936 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.489 6.817 1.185 1.00 0.00 H new ATOM 1585 N THR B 40 14.438 8.265 1.832 1.00 0.00 N ATOM 1586 CA THR B 40 13.145 8.929 1.869 1.00 0.00 C ATOM 1587 C THR B 40 12.987 9.842 0.651 1.00 0.00 C ATOM 1588 O THR B 40 13.908 10.577 0.293 1.00 0.00 O ATOM 1589 CB THR B 40 12.987 9.757 3.164 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.247 8.934 4.312 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.588 10.344 3.275 1.00 0.00 C ATOM 0 H THR B 40 15.211 8.871 1.559 1.00 0.00 H new ATOM 0 HA THR B 40 12.370 8.163 1.850 1.00 0.00 H new ATOM 0 HB THR B 40 13.707 10.575 3.125 1.00 0.00 H new ATOM 0 HG1 THR B 40 13.146 9.468 5.127 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.508 10.921 4.196 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.398 10.995 2.421 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.855 9.537 3.287 1.00 0.00 H new ATOM 1599 N ILE B 41 11.829 9.783 0.012 1.00 0.00 N ATOM 1600 CA ILE B 41 11.568 10.580 -1.177 1.00 0.00 C ATOM 1601 C ILE B 41 10.413 11.546 -0.940 1.00 0.00 C ATOM 1602 O ILE B 41 9.402 11.188 -0.331 1.00 0.00 O ATOM 1603 CB ILE B 41 11.253 9.692 -2.403 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.136 8.693 -2.076 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.510 8.967 -2.861 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.740 7.816 -3.244 1.00 0.00 C ATOM 0 H ILE B 41 11.051 9.188 0.299 1.00 0.00 H new ATOM 0 HA ILE B 41 12.475 11.147 -1.386 1.00 0.00 H new ATOM 0 HB ILE B 41 10.905 10.330 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.459 8.059 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.259 9.242 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.277 8.345 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.272 9.697 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.883 8.339 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.946 7.136 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.385 8.440 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.603 7.239 -3.575 1.00 0.00 H new ATOM 1618 N ASN B 42 10.572 12.774 -1.410 1.00 0.00 N ATOM 1619 CA ASN B 42 9.549 13.794 -1.233 1.00 0.00 C ATOM 1620 C ASN B 42 9.034 14.273 -2.582 1.00 0.00 C ATOM 1621 O ASN B 42 9.786 14.849 -3.369 1.00 0.00 O ATOM 1622 CB ASN B 42 10.084 15.004 -0.454 1.00 0.00 C ATOM 1623 CG ASN B 42 10.460 14.702 0.988 1.00 0.00 C ATOM 1624 OD1 ASN B 42 10.972 13.629 1.311 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.191 15.650 1.872 1.00 0.00 N ATOM 0 H ASN B 42 11.399 13.089 -1.917 1.00 0.00 H new ATOM 0 HA ASN B 42 8.739 13.337 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.960 15.396 -0.971 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.329 15.790 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN B 42 10.408 15.504 2.858 1.00 0.00 H new ATOM 0 HD22 ASN B 42 9.767 16.526 1.567 1.00 0.00 H new ATOM 1632 N VAL B 43 7.765 14.026 -2.850 1.00 0.00 N ATOM 1633 CA VAL B 43 7.123 14.569 -4.037 1.00 0.00 C ATOM 1634 C VAL B 43 6.278 15.775 -3.643 1.00 0.00 C ATOM 1635 O VAL B 43 5.222 15.632 -3.034 1.00 0.00 O ATOM 1636 CB VAL B 43 6.240 13.525 -4.761 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.422 14.177 -5.869 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.091 12.403 -5.332 1.00 0.00 C ATOM 0 H VAL B 43 7.157 13.454 -2.264 1.00 0.00 H new ATOM 0 HA VAL B 43 7.908 14.864 -4.733 1.00 0.00 H new ATOM 0 HB VAL B 43 5.553 13.104 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL B 43 4.810 13.422 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL B 43 4.777 14.944 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.093 14.632 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.450 11.680 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL B 43 7.805 12.815 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.630 11.908 -4.524 1.00 0.00 H new ATOM 1648 N SER B 44 6.777 16.956 -3.957 1.00 0.00 N ATOM 1649 CA SER B 44 6.065 18.186 -3.661 1.00 0.00 C ATOM 1650 C SER B 44 5.751 18.913 -4.960 1.00 0.00 C ATOM 1651 O SER B 44 6.635 19.501 -5.586 1.00 0.00 O ATOM 1652 CB SER B 44 6.902 19.064 -2.730 1.00 0.00 C ATOM 1653 OG SER B 44 7.277 18.344 -1.565 1.00 0.00 O ATOM 0 H SER B 44 7.676 17.090 -4.419 1.00 0.00 H new ATOM 0 HA SER B 44 5.128 17.955 -3.155 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.794 19.410 -3.253 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.333 19.950 -2.449 1.00 0.00 H new ATOM 0 HG SER B 44 7.813 18.921 -0.982 1.00 0.00 H new ATOM 1659 N GLN B 45 4.494 18.857 -5.369 1.00 0.00 N ATOM 1660 CA GLN B 45 4.087 19.379 -6.665 1.00 0.00 C ATOM 1661 C GLN B 45 2.756 20.085 -6.557 1.00 0.00 C ATOM 1662 O GLN B 45 1.916 19.709 -5.748 1.00 0.00 O ATOM 1663 CB GLN B 45 3.963 18.250 -7.690 1.00 0.00 C ATOM 1664 CG GLN B 45 5.284 17.612 -8.086 1.00 0.00 C ATOM 1665 CD GLN B 45 6.164 18.533 -8.911 1.00 0.00 C ATOM 1666 OE1 GLN B 45 6.105 19.756 -8.790 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.005 17.945 -9.740 1.00 0.00 N ATOM 0 H GLN B 45 3.735 18.454 -4.820 1.00 0.00 H new ATOM 0 HA GLN B 45 4.851 20.084 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.308 17.479 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.479 18.640 -8.585 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.822 17.315 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN B 45 5.086 16.703 -8.654 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.023 16.928 -9.811 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.637 18.508 -10.310 1.00 0.00 H new ATOM 1676 N SER B 46 2.564 21.100 -7.374 1.00 0.00 N ATOM 1677 CA SER B 46 1.298 21.800 -7.413 1.00 0.00 C ATOM 1678 C SER B 46 0.297 21.007 -8.246 1.00 0.00 C ATOM 1679 O SER B 46 0.690 20.145 -9.042 1.00 0.00 O ATOM 1680 CB SER B 46 1.501 23.196 -7.994 1.00 0.00 C ATOM 1681 OG SER B 46 2.584 23.848 -7.348 1.00 0.00 O ATOM 0 H SER B 46 3.268 21.458 -8.019 1.00 0.00 H new ATOM 0 HA SER B 46 0.903 21.900 -6.402 1.00 0.00 H new ATOM 0 HB2 SER B 46 1.696 23.127 -9.064 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.591 23.783 -7.873 1.00 0.00 H new ATOM 0 HG SER B 46 2.708 23.468 -6.453 1.00 0.00 H new ATOM 1687 N GLY B 47 -0.988 21.280 -8.041 1.00 0.00 N ATOM 1688 CA GLY B 47 -2.028 20.608 -8.796 1.00 0.00 C ATOM 1689 C GLY B 47 -1.797 20.707 -10.288 1.00 0.00 C ATOM 1690 O GLY B 47 -1.849 21.797 -10.864 1.00 0.00 O ATOM 0 H GLY B 47 -1.328 21.959 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -2.068 19.559 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -2.996 21.045 -8.549 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.527 19.572 -10.910 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.201 19.554 -12.318 1.00 0.00 C ATOM 1696 C GLY B 48 -0.137 18.527 -12.631 1.00 0.00 C ATOM 1697 O GLY B 48 -0.233 17.811 -13.627 1.00 0.00 O ATOM 0 H GLY B 48 -1.528 18.656 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.099 19.336 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -0.856 20.541 -12.624 1.00 0.00 H new ATOM 1701 N GLN B 49 0.881 18.447 -11.776 1.00 0.00 N ATOM 1702 CA GLN B 49 1.929 17.451 -11.942 1.00 0.00 C ATOM 1703 C GLN B 49 1.400 16.092 -11.507 1.00 0.00 C ATOM 1704 O GLN B 49 1.542 15.097 -12.214 1.00 0.00 O ATOM 1705 CB GLN B 49 3.166 17.829 -11.123 1.00 0.00 C ATOM 1706 CG GLN B 49 3.704 19.220 -11.427 1.00 0.00 C ATOM 1707 CD GLN B 49 4.130 19.381 -12.873 1.00 0.00 C ATOM 1708 OE1 GLN B 49 3.331 19.759 -13.727 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.393 19.107 -13.156 1.00 0.00 N ATOM 0 H GLN B 49 0.999 19.057 -10.967 1.00 0.00 H new ATOM 0 HA GLN B 49 2.221 17.408 -12.991 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.920 17.769 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.952 17.097 -11.310 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.938 19.960 -11.194 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.555 19.426 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.025 18.796 -12.418 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.735 19.207 -14.112 1.00 0.00 H new ATOM 1718 N ILE B 50 0.791 16.066 -10.332 1.00 0.00 N ATOM 1719 CA ILE B 50 0.077 14.892 -9.861 1.00 0.00 C ATOM 1720 C ILE B 50 -1.404 15.232 -9.762 1.00 0.00 C ATOM 1721 O ILE B 50 -1.804 16.059 -8.942 1.00 0.00 O ATOM 1722 CB ILE B 50 0.596 14.383 -8.484 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.981 13.732 -8.613 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.385 13.393 -7.868 1.00 0.00 C ATOM 1725 CD1 ILE B 50 3.117 14.708 -8.826 1.00 0.00 C ATOM 0 H ILE B 50 0.778 16.853 -9.683 1.00 0.00 H new ATOM 0 HA ILE B 50 0.246 14.086 -10.576 1.00 0.00 H new ATOM 0 HB ILE B 50 0.683 15.250 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.181 13.153 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.962 13.029 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.001 13.051 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.349 13.880 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.507 12.539 -8.534 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.056 14.161 -8.906 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.946 15.271 -9.743 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.169 15.396 -7.982 1.00 0.00 H new ATOM 1737 N SER B 51 -2.206 14.631 -10.626 1.00 0.00 N ATOM 1738 CA SER B 51 -3.632 14.913 -10.658 1.00 0.00 C ATOM 1739 C SER B 51 -4.432 13.659 -10.323 1.00 0.00 C ATOM 1740 O SER B 51 -5.649 13.704 -10.142 1.00 0.00 O ATOM 1741 CB SER B 51 -4.023 15.448 -12.037 1.00 0.00 C ATOM 1742 OG SER B 51 -3.221 16.566 -12.389 1.00 0.00 O ATOM 0 H SER B 51 -1.894 13.945 -11.314 1.00 0.00 H new ATOM 0 HA SER B 51 -3.860 15.671 -9.908 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.907 14.662 -12.783 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.075 15.735 -12.036 1.00 0.00 H new ATOM 0 HG SER B 51 -3.485 16.892 -13.274 1.00 0.00 H new ATOM 1748 N SER B 52 -3.737 12.537 -10.257 1.00 0.00 N ATOM 1749 CA SER B 52 -4.347 11.269 -9.914 1.00 0.00 C ATOM 1750 C SER B 52 -3.332 10.385 -9.190 1.00 0.00 C ATOM 1751 O SER B 52 -2.122 10.621 -9.280 1.00 0.00 O ATOM 1752 CB SER B 52 -4.853 10.580 -11.187 1.00 0.00 C ATOM 1753 OG SER B 52 -5.771 11.408 -11.883 1.00 0.00 O ATOM 0 H SER B 52 -2.735 12.482 -10.440 1.00 0.00 H new ATOM 0 HA SER B 52 -5.194 11.440 -9.249 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.010 10.341 -11.835 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.333 9.636 -10.928 1.00 0.00 H new ATOM 0 HG SER B 52 -6.078 10.948 -12.692 1.00 0.00 H new ATOM 1759 N PRO B 53 -3.805 9.364 -8.450 1.00 0.00 N ATOM 1760 CA PRO B 53 -2.923 8.409 -7.765 1.00 0.00 C ATOM 1761 C PRO B 53 -1.915 7.775 -8.720 1.00 0.00 C ATOM 1762 O PRO B 53 -0.809 7.414 -8.321 1.00 0.00 O ATOM 1763 CB PRO B 53 -3.890 7.351 -7.227 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.192 8.060 -7.092 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.230 9.070 -8.204 1.00 0.00 C ATOM 0 HA PRO B 53 -2.324 8.887 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.969 6.504 -7.909 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.552 6.958 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.026 7.363 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.273 8.546 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.717 8.670 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -5.781 9.965 -7.915 1.00 0.00 H new ATOM 1773 N SER B 54 -2.310 7.658 -9.984 1.00 0.00 N ATOM 1774 CA SER B 54 -1.446 7.128 -11.027 1.00 0.00 C ATOM 1775 C SER B 54 -0.157 7.943 -11.137 1.00 0.00 C ATOM 1776 O SER B 54 0.937 7.384 -11.187 1.00 0.00 O ATOM 1777 CB SER B 54 -2.194 7.149 -12.359 1.00 0.00 C ATOM 1778 OG SER B 54 -3.512 6.652 -12.198 1.00 0.00 O ATOM 0 H SER B 54 -3.237 7.928 -10.311 1.00 0.00 H new ATOM 0 HA SER B 54 -1.175 6.103 -10.772 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.228 8.167 -12.747 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.659 6.546 -13.092 1.00 0.00 H new ATOM 0 HG SER B 54 -3.978 6.674 -13.060 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.295 9.269 -11.147 1.00 0.00 N ATOM 1785 CA ASP B 55 0.857 10.163 -11.242 1.00 0.00 C ATOM 1786 C ASP B 55 1.735 10.005 -10.014 1.00 0.00 C ATOM 1787 O ASP B 55 2.957 9.886 -10.113 1.00 0.00 O ATOM 1788 CB ASP B 55 0.419 11.628 -11.344 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.584 11.886 -12.446 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.244 11.687 -13.628 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.721 12.291 -12.130 1.00 0.00 O ATOM 0 H ASP B 55 -1.194 9.747 -11.090 1.00 0.00 H new ATOM 0 HA ASP B 55 1.410 9.895 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.013 11.936 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP B 55 1.298 12.250 -11.512 1.00 0.00 H new ATOM 1796 N LEU B 56 1.090 9.999 -8.856 1.00 0.00 N ATOM 1797 CA LEU B 56 1.791 9.904 -7.584 1.00 0.00 C ATOM 1798 C LEU B 56 2.600 8.613 -7.490 1.00 0.00 C ATOM 1799 O LEU B 56 3.812 8.647 -7.280 1.00 0.00 O ATOM 1800 CB LEU B 56 0.792 9.983 -6.426 1.00 0.00 C ATOM 1801 CG LEU B 56 1.413 9.969 -5.028 1.00 0.00 C ATOM 1802 CD1 LEU B 56 2.338 11.162 -4.843 1.00 0.00 C ATOM 1803 CD2 LEU B 56 0.327 9.963 -3.965 1.00 0.00 C ATOM 0 H LEU B 56 0.075 10.059 -8.772 1.00 0.00 H new ATOM 0 HA LEU B 56 2.485 10.742 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU B 56 0.204 10.894 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU B 56 0.099 9.145 -6.507 1.00 0.00 H new ATOM 0 HG LEU B 56 2.003 9.059 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.771 11.135 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.136 11.122 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.771 12.085 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.786 9.953 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.290 10.856 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.295 9.076 -4.085 1.00 0.00 H new ATOM 1815 N ARG B 57 1.929 7.480 -7.672 1.00 0.00 N ATOM 1816 CA ARG B 57 2.570 6.176 -7.528 1.00 0.00 C ATOM 1817 C ARG B 57 3.648 5.965 -8.587 1.00 0.00 C ATOM 1818 O ARG B 57 4.621 5.245 -8.354 1.00 0.00 O ATOM 1819 CB ARG B 57 1.526 5.057 -7.590 1.00 0.00 C ATOM 1820 CG ARG B 57 0.535 5.103 -6.435 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.512 4.004 -6.532 1.00 0.00 C ATOM 1822 NE ARG B 57 0.066 2.666 -6.416 1.00 0.00 N ATOM 1823 CZ ARG B 57 -0.162 1.843 -5.394 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -0.907 2.246 -4.365 1.00 0.00 N ATOM 1825 NH2 ARG B 57 0.361 0.621 -5.396 1.00 0.00 N ATOM 0 H ARG B 57 0.940 7.438 -7.920 1.00 0.00 H new ATOM 0 HA ARG B 57 3.055 6.148 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.982 5.127 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.034 4.093 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.074 5.007 -5.492 1.00 0.00 H new ATOM 0 HG3 ARG B 57 0.040 6.074 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -1.255 4.144 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -1.035 4.089 -7.484 1.00 0.00 H new ATOM 0 HE ARG B 57 0.681 2.343 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -1.303 3.186 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -1.081 1.615 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG B 57 0.937 0.314 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG B 57 0.187 -0.010 -4.613 1.00 0.00 H new ATOM 1839 N GLU B 58 3.481 6.598 -9.744 1.00 0.00 N ATOM 1840 CA GLU B 58 4.494 6.548 -10.793 1.00 0.00 C ATOM 1841 C GLU B 58 5.782 7.197 -10.300 1.00 0.00 C ATOM 1842 O GLU B 58 6.850 6.582 -10.314 1.00 0.00 O ATOM 1843 CB GLU B 58 4.014 7.277 -12.049 1.00 0.00 C ATOM 1844 CG GLU B 58 4.995 7.195 -13.205 1.00 0.00 C ATOM 1845 CD GLU B 58 4.791 8.297 -14.221 1.00 0.00 C ATOM 1846 OE1 GLU B 58 3.697 8.372 -14.815 1.00 0.00 O ATOM 1847 OE2 GLU B 58 5.723 9.105 -14.421 1.00 0.00 O ATOM 0 H GLU B 58 2.656 7.150 -9.979 1.00 0.00 H new ATOM 0 HA GLU B 58 4.676 5.502 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.059 6.856 -12.362 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.836 8.325 -11.807 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.012 7.247 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.891 6.228 -13.697 1.00 0.00 H new ATOM 1854 N LYS B 59 5.658 8.440 -9.849 1.00 0.00 N ATOM 1855 CA LYS B 59 6.796 9.204 -9.359 1.00 0.00 C ATOM 1856 C LYS B 59 7.440 8.526 -8.160 1.00 0.00 C ATOM 1857 O LYS B 59 8.663 8.435 -8.076 1.00 0.00 O ATOM 1858 CB LYS B 59 6.360 10.622 -8.995 1.00 0.00 C ATOM 1859 CG LYS B 59 6.050 11.483 -10.206 1.00 0.00 C ATOM 1860 CD LYS B 59 7.309 11.774 -11.005 1.00 0.00 C ATOM 1861 CE LYS B 59 7.003 12.551 -12.273 1.00 0.00 C ATOM 1862 NZ LYS B 59 6.297 11.717 -13.286 1.00 0.00 N ATOM 0 H LYS B 59 4.771 8.943 -9.813 1.00 0.00 H new ATOM 0 HA LYS B 59 7.539 9.253 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.477 10.571 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS B 59 7.147 11.098 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.322 10.977 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS B 59 5.595 12.420 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS B 59 8.007 12.342 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS B 59 7.801 10.836 -11.263 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.390 13.418 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.932 12.929 -12.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 6.608 11.992 -14.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 6.519 10.714 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 5.271 11.862 -13.201 1.00 0.00 H new ATOM 1876 N LEU B 60 6.615 8.041 -7.242 1.00 0.00 N ATOM 1877 CA LEU B 60 7.112 7.354 -6.058 1.00 0.00 C ATOM 1878 C LEU B 60 7.925 6.124 -6.446 1.00 0.00 C ATOM 1879 O LEU B 60 8.995 5.879 -5.896 1.00 0.00 O ATOM 1880 CB LEU B 60 5.951 6.959 -5.145 1.00 0.00 C ATOM 1881 CG LEU B 60 5.152 8.129 -4.567 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.966 7.617 -3.768 1.00 0.00 C ATOM 1883 CD2 LEU B 60 6.041 9.006 -3.698 1.00 0.00 C ATOM 0 H LEU B 60 5.599 8.111 -7.295 1.00 0.00 H new ATOM 0 HA LEU B 60 7.766 8.038 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.271 6.317 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.344 6.365 -4.320 1.00 0.00 H new ATOM 0 HG LEU B 60 4.778 8.733 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.408 8.461 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.316 7.030 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.322 6.992 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.455 9.833 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.445 8.414 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.861 9.401 -4.298 1.00 0.00 H new ATOM 1895 N SER B 61 7.423 5.365 -7.414 1.00 0.00 N ATOM 1896 CA SER B 61 8.125 4.184 -7.895 1.00 0.00 C ATOM 1897 C SER B 61 9.439 4.564 -8.573 1.00 0.00 C ATOM 1898 O SER B 61 10.468 3.922 -8.356 1.00 0.00 O ATOM 1899 CB SER B 61 7.239 3.399 -8.864 1.00 0.00 C ATOM 1900 OG SER B 61 6.083 2.906 -8.209 1.00 0.00 O ATOM 0 H SER B 61 6.534 5.547 -7.879 1.00 0.00 H new ATOM 0 HA SER B 61 8.356 3.555 -7.036 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.945 4.041 -9.695 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.804 2.568 -9.287 1.00 0.00 H new ATOM 0 HG SER B 61 5.410 3.616 -8.154 1.00 0.00 H new ATOM 1906 N GLU B 62 9.402 5.620 -9.381 1.00 0.00 N ATOM 1907 CA GLU B 62 10.587 6.074 -10.097 1.00 0.00 C ATOM 1908 C GLU B 62 11.657 6.548 -9.117 1.00 0.00 C ATOM 1909 O GLU B 62 12.830 6.190 -9.238 1.00 0.00 O ATOM 1910 CB GLU B 62 10.224 7.204 -11.065 1.00 0.00 C ATOM 1911 CG GLU B 62 11.357 7.589 -12.004 1.00 0.00 C ATOM 1912 CD GLU B 62 11.017 8.774 -12.884 1.00 0.00 C ATOM 1913 OE1 GLU B 62 10.030 8.696 -13.644 1.00 0.00 O ATOM 1914 OE2 GLU B 62 11.747 9.784 -12.834 1.00 0.00 O ATOM 0 H GLU B 62 8.565 6.176 -9.555 1.00 0.00 H new ATOM 0 HA GLU B 62 10.985 5.235 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.360 6.901 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.925 8.081 -10.491 1.00 0.00 H new ATOM 0 HG2 GLU B 62 12.245 7.822 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.606 6.735 -12.634 1.00 0.00 H new ATOM 1921 N LEU B 63 11.241 7.343 -8.137 1.00 0.00 N ATOM 1922 CA LEU B 63 12.164 7.893 -7.153 1.00 0.00 C ATOM 1923 C LEU B 63 12.692 6.807 -6.219 1.00 0.00 C ATOM 1924 O LEU B 63 13.837 6.869 -5.774 1.00 0.00 O ATOM 1925 CB LEU B 63 11.493 9.003 -6.343 1.00 0.00 C ATOM 1926 CG LEU B 63 10.998 10.201 -7.157 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.399 11.256 -6.240 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.126 10.793 -7.988 1.00 0.00 C ATOM 0 H LEU B 63 10.269 7.621 -8.004 1.00 0.00 H new ATOM 0 HA LEU B 63 13.010 8.316 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.647 8.576 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.199 9.361 -5.594 1.00 0.00 H new ATOM 0 HG LEU B 63 10.221 9.853 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.052 12.101 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.559 10.828 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.156 11.596 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.751 11.643 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.928 11.124 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.508 10.037 -8.674 1.00 0.00 H new ATOM 1940 N ALA B 64 11.859 5.813 -5.926 1.00 0.00 N ATOM 1941 CA ALA B 64 12.276 4.690 -5.093 1.00 0.00 C ATOM 1942 C ALA B 64 13.431 3.942 -5.748 1.00 0.00 C ATOM 1943 O ALA B 64 14.448 3.658 -5.110 1.00 0.00 O ATOM 1944 CB ALA B 64 11.109 3.746 -4.842 1.00 0.00 C ATOM 0 H ALA B 64 10.894 5.762 -6.252 1.00 0.00 H new ATOM 0 HA ALA B 64 12.614 5.082 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.440 2.915 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.309 4.284 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.741 3.362 -5.793 1.00 0.00 H new ATOM 1950 N ASP B 65 13.278 3.652 -7.033 1.00 0.00 N ATOM 1951 CA ASP B 65 14.310 2.958 -7.793 1.00 0.00 C ATOM 1952 C ASP B 65 15.531 3.855 -7.985 1.00 0.00 C ATOM 1953 O ASP B 65 16.656 3.372 -8.131 1.00 0.00 O ATOM 1954 CB ASP B 65 13.758 2.511 -9.148 1.00 0.00 C ATOM 1955 CG ASP B 65 14.789 1.785 -9.987 1.00 0.00 C ATOM 1956 OD1 ASP B 65 15.088 0.607 -9.689 1.00 0.00 O ATOM 1957 OD2 ASP B 65 15.311 2.389 -10.949 1.00 0.00 O ATOM 0 H ASP B 65 12.446 3.888 -7.573 1.00 0.00 H new ATOM 0 HA ASP B 65 14.618 2.075 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.900 1.858 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.399 3.383 -9.695 1.00 0.00 H new ATOM 1962 N ALA B 66 15.303 5.162 -7.969 1.00 0.00 N ATOM 1963 CA ALA B 66 16.383 6.133 -8.080 1.00 0.00 C ATOM 1964 C ALA B 66 17.265 6.104 -6.835 1.00 0.00 C ATOM 1965 O ALA B 66 18.464 6.371 -6.903 1.00 0.00 O ATOM 1966 CB ALA B 66 15.824 7.529 -8.305 1.00 0.00 C ATOM 0 H ALA B 66 14.375 5.575 -7.880 1.00 0.00 H new ATOM 0 HA ALA B 66 16.997 5.864 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.645 8.241 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.240 7.543 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.185 7.805 -7.466 1.00 0.00 H new ATOM 1972 N LYS B 67 16.664 5.779 -5.697 1.00 0.00 N ATOM 1973 CA LYS B 67 17.411 5.649 -4.453 1.00 0.00 C ATOM 1974 C LYS B 67 18.007 4.251 -4.346 1.00 0.00 C ATOM 1975 O LYS B 67 19.136 4.078 -3.882 1.00 0.00 O ATOM 1976 CB LYS B 67 16.511 5.925 -3.245 1.00 0.00 C ATOM 1977 CG LYS B 67 15.831 7.285 -3.279 1.00 0.00 C ATOM 1978 CD LYS B 67 16.838 8.424 -3.341 1.00 0.00 C ATOM 1979 CE LYS B 67 16.140 9.773 -3.398 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.102 10.900 -3.528 1.00 0.00 N ATOM 0 H LYS B 67 15.663 5.601 -5.610 1.00 0.00 H new ATOM 0 HA LYS B 67 18.216 6.384 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.747 5.149 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS B 67 17.108 5.851 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.170 7.338 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.207 7.401 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.489 8.385 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.474 8.303 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.450 9.788 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.543 9.909 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.581 11.799 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.745 10.904 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 17.654 10.786 -4.402 1.00 0.00 H new ATOM 1994 N GLY B 68 17.239 3.259 -4.781 1.00 0.00 N ATOM 1995 CA GLY B 68 17.713 1.889 -4.770 1.00 0.00 C ATOM 1996 C GLY B 68 16.791 0.958 -4.007 1.00 0.00 C ATOM 1997 O GLY B 68 17.252 0.041 -3.324 1.00 0.00 O ATOM 0 H GLY B 68 16.293 3.380 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.813 1.535 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.707 1.856 -4.324 1.00 0.00 H new ATOM 2001 N GLY B 69 15.491 1.188 -4.114 1.00 0.00 N ATOM 2002 CA GLY B 69 14.533 0.345 -3.428 1.00 0.00 C ATOM 2003 C GLY B 69 13.422 -0.125 -4.342 1.00 0.00 C ATOM 2004 O GLY B 69 13.084 0.548 -5.314 1.00 0.00 O ATOM 0 H GLY B 69 15.082 1.943 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY B 69 15.048 -0.521 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.103 0.895 -2.591 1.00 0.00 H new ATOM 2008 N LYS B 70 12.857 -1.284 -4.031 1.00 0.00 N ATOM 2009 CA LYS B 70 11.778 -1.852 -4.829 1.00 0.00 C ATOM 2010 C LYS B 70 10.436 -1.662 -4.128 1.00 0.00 C ATOM 2011 O LYS B 70 9.376 -1.911 -4.703 1.00 0.00 O ATOM 2012 CB LYS B 70 12.026 -3.342 -5.076 1.00 0.00 C ATOM 2013 CG LYS B 70 13.247 -3.627 -5.937 1.00 0.00 C ATOM 2014 CD LYS B 70 13.512 -5.121 -6.057 1.00 0.00 C ATOM 2015 CE LYS B 70 12.313 -5.862 -6.632 1.00 0.00 C ATOM 2016 NZ LYS B 70 12.539 -7.331 -6.690 1.00 0.00 N ATOM 0 H LYS B 70 13.129 -1.851 -3.228 1.00 0.00 H new ATOM 0 HA LYS B 70 11.752 -1.332 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.144 -3.845 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.147 -3.773 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.100 -3.202 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.119 -3.136 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.381 -5.286 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS B 70 13.754 -5.528 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS B 70 11.433 -5.655 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS B 70 12.103 -5.488 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.698 -7.796 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 13.363 -7.532 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 12.714 -7.693 -5.731 1.00 0.00 H new ATOM 2030 N TYR B 71 10.491 -1.221 -2.883 1.00 0.00 N ATOM 2031 CA TYR B 71 9.290 -1.016 -2.093 1.00 0.00 C ATOM 2032 C TYR B 71 9.285 0.396 -1.539 1.00 0.00 C ATOM 2033 O TYR B 71 10.343 1.004 -1.388 1.00 0.00 O ATOM 2034 CB TYR B 71 9.227 -2.021 -0.936 1.00 0.00 C ATOM 2035 CG TYR B 71 9.428 -3.462 -1.352 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.395 -4.196 -1.922 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.655 -4.090 -1.171 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.577 -5.513 -2.297 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.846 -5.406 -1.544 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.805 -6.113 -2.107 1.00 0.00 C ATOM 2041 OH TYR B 71 9.993 -7.426 -2.479 1.00 0.00 O ATOM 0 H TYR B 71 11.359 -0.997 -2.396 1.00 0.00 H new ATOM 0 HA TYR B 71 8.420 -1.165 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.987 -1.758 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.260 -1.929 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.433 -3.729 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.473 -3.539 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.763 -6.070 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.806 -5.879 -1.395 1.00 0.00 H new ATOM 0 HH TYR B 71 10.914 -7.694 -2.278 1.00 0.00 H new ATOM 2051 N TYR B 72 8.110 0.922 -1.254 1.00 0.00 N ATOM 2052 CA TYR B 72 8.003 2.225 -0.621 1.00 0.00 C ATOM 2053 C TYR B 72 6.692 2.339 0.138 1.00 0.00 C ATOM 2054 O TYR B 72 5.785 1.529 -0.045 1.00 0.00 O ATOM 2055 CB TYR B 72 8.125 3.357 -1.656 1.00 0.00 C ATOM 2056 CG TYR B 72 6.987 3.430 -2.654 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.831 4.146 -2.366 1.00 0.00 C ATOM 2058 CD2 TYR B 72 7.075 2.797 -3.886 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.797 4.225 -3.276 1.00 0.00 C ATOM 2060 CE2 TYR B 72 6.043 2.872 -4.802 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.906 3.588 -4.491 1.00 0.00 C ATOM 2062 OH TYR B 72 3.878 3.675 -5.400 1.00 0.00 O ATOM 0 H TYR B 72 7.217 0.470 -1.450 1.00 0.00 H new ATOM 0 HA TYR B 72 8.827 2.325 0.086 1.00 0.00 H new ATOM 0 HB2 TYR B 72 8.188 4.308 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR B 72 9.061 3.233 -2.201 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.741 4.649 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.965 2.237 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.905 4.785 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR B 72 6.126 2.373 -5.756 1.00 0.00 H new ATOM 0 HH TYR B 72 4.112 3.171 -6.207 1.00 0.00 H new ATOM 2072 N HIS B 73 6.609 3.329 1.008 1.00 0.00 N ATOM 2073 CA HIS B 73 5.380 3.618 1.729 1.00 0.00 C ATOM 2074 C HIS B 73 5.314 5.097 2.069 1.00 0.00 C ATOM 2075 O HIS B 73 6.255 5.652 2.637 1.00 0.00 O ATOM 2076 CB HIS B 73 5.280 2.776 3.009 1.00 0.00 C ATOM 2077 CG HIS B 73 4.117 3.142 3.882 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.264 3.594 5.173 1.00 0.00 N ATOM 2079 CD2 HIS B 73 2.784 3.145 3.634 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.076 3.861 5.682 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.155 3.600 4.770 1.00 0.00 N ATOM 0 H HIS B 73 7.384 3.952 1.235 1.00 0.00 H new ATOM 0 HA HIS B 73 4.538 3.359 1.087 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.201 1.724 2.736 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.201 2.889 3.580 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.304 2.845 2.714 1.00 0.00 H new ATOM 0 HE1 HIS B 73 2.887 4.231 6.679 1.00 0.00 H new ATOM 0 HE2 HIS B 73 1.149 3.716 4.888 1.00 0.00 H new ATOM 2090 N ILE B 74 4.209 5.733 1.711 1.00 0.00 N ATOM 2091 CA ILE B 74 3.995 7.130 2.040 1.00 0.00 C ATOM 2092 C ILE B 74 3.797 7.281 3.545 1.00 0.00 C ATOM 2093 O ILE B 74 2.977 6.584 4.139 1.00 0.00 O ATOM 2094 CB ILE B 74 2.760 7.699 1.310 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.831 7.381 -0.187 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.664 9.202 1.527 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.593 7.794 -0.954 1.00 0.00 C ATOM 0 H ILE B 74 3.446 5.300 1.191 1.00 0.00 H new ATOM 0 HA ILE B 74 4.875 7.687 1.717 1.00 0.00 H new ATOM 0 HB ILE B 74 1.867 7.230 1.722 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.698 7.883 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.987 6.310 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.788 9.590 1.006 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.574 9.411 2.593 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.561 9.684 1.137 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.715 7.538 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.725 7.272 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.447 8.870 -0.857 1.00 0.00 H new ATOM 2109 N ILE B 75 4.559 8.167 4.162 1.00 0.00 N ATOM 2110 CA ILE B 75 4.430 8.406 5.593 1.00 0.00 C ATOM 2111 C ILE B 75 3.725 9.727 5.861 1.00 0.00 C ATOM 2112 O ILE B 75 3.006 9.870 6.849 1.00 0.00 O ATOM 2113 CB ILE B 75 5.797 8.394 6.312 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.765 9.387 5.656 1.00 0.00 C ATOM 2115 CG2 ILE B 75 6.377 6.989 6.310 1.00 0.00 C ATOM 2116 CD1 ILE B 75 8.085 9.526 6.384 1.00 0.00 C ATOM 0 H ILE B 75 5.271 8.732 3.699 1.00 0.00 H new ATOM 0 HA ILE B 75 3.831 7.588 5.993 1.00 0.00 H new ATOM 0 HB ILE B 75 5.650 8.705 7.346 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.958 9.069 4.631 1.00 0.00 H new ATOM 0 HG13 ILE B 75 6.286 10.365 5.602 1.00 0.00 H new ATOM 0 HG21 ILE B 75 7.341 6.992 6.819 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.696 6.313 6.827 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.511 6.652 5.282 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.715 10.245 5.860 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.905 9.875 7.401 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.587 8.559 6.416 1.00 0.00 H new ATOM 2128 N ALA B 76 3.910 10.684 4.965 1.00 0.00 N ATOM 2129 CA ALA B 76 3.297 11.990 5.117 1.00 0.00 C ATOM 2130 C ALA B 76 2.705 12.467 3.799 1.00 0.00 C ATOM 2131 O ALA B 76 3.417 12.975 2.935 1.00 0.00 O ATOM 2132 CB ALA B 76 4.309 12.994 5.647 1.00 0.00 C ATOM 0 H ALA B 76 4.480 10.579 4.126 1.00 0.00 H new ATOM 0 HA ALA B 76 2.486 11.905 5.840 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.833 13.968 5.755 1.00 0.00 H new ATOM 0 HB2 ALA B 76 4.678 12.661 6.617 1.00 0.00 H new ATOM 0 HB3 ALA B 76 5.143 13.073 4.949 1.00 0.00 H new ATOM 2138 N ALA B 77 1.407 12.265 3.638 1.00 0.00 N ATOM 2139 CA ALA B 77 0.704 12.732 2.455 1.00 0.00 C ATOM 2140 C ALA B 77 -0.190 13.910 2.808 1.00 0.00 C ATOM 2141 O ALA B 77 -1.290 13.732 3.335 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.114 11.606 1.838 1.00 0.00 C ATOM 0 H ALA B 77 0.818 11.779 4.314 1.00 0.00 H new ATOM 0 HA ALA B 77 1.439 13.060 1.720 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.633 11.976 0.954 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.548 10.788 1.555 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -0.844 11.247 2.563 1.00 0.00 H new ATOM 2148 N ARG B 78 0.287 15.110 2.538 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.462 16.310 2.865 1.00 0.00 C ATOM 2150 C ARG B 78 -0.774 17.106 1.608 1.00 0.00 C ATOM 2151 O ARG B 78 -0.100 16.965 0.589 1.00 0.00 O ATOM 2152 CB ARG B 78 0.306 17.171 3.875 1.00 0.00 C ATOM 2153 CG ARG B 78 1.695 17.583 3.414 1.00 0.00 C ATOM 2154 CD ARG B 78 2.425 18.368 4.493 1.00 0.00 C ATOM 2155 NE ARG B 78 2.563 17.600 5.733 1.00 0.00 N ATOM 2156 CZ ARG B 78 3.512 17.818 6.647 1.00 0.00 C ATOM 2157 NH1 ARG B 78 4.409 18.782 6.470 1.00 0.00 N ATOM 2158 NH2 ARG B 78 3.564 17.061 7.739 1.00 0.00 N ATOM 0 H ARG B 78 1.189 15.281 2.093 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.405 16.010 3.322 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.275 18.068 4.087 1.00 0.00 H new ATOM 0 HB3 ARG B 78 0.395 16.620 4.812 1.00 0.00 H new ATOM 0 HG2 ARG B 78 2.272 16.696 3.153 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.616 18.189 2.511 1.00 0.00 H new ATOM 0 HD2 ARG B 78 3.413 18.650 4.130 1.00 0.00 H new ATOM 0 HD3 ARG B 78 1.884 19.292 4.697 1.00 0.00 H new ATOM 0 HE ARG B 78 1.892 16.852 5.909 1.00 0.00 H new ATOM 0 HH11 ARG B 78 4.376 19.362 5.631 1.00 0.00 H new ATOM 0 HH12 ARG B 78 5.131 18.942 7.173 1.00 0.00 H new ATOM 0 HH21 ARG B 78 2.880 16.317 7.877 1.00 0.00 H new ATOM 0 HH22 ARG B 78 4.288 17.225 8.439 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.807 17.925 1.682 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.216 18.736 0.550 1.00 0.00 C ATOM 2174 C GLU B 79 -2.242 20.199 0.964 1.00 0.00 C ATOM 2175 O GLU B 79 -3.216 20.677 1.556 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.590 18.284 0.045 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.977 18.861 -1.307 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.283 18.291 -1.823 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -5.274 17.168 -2.371 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.328 18.958 -1.681 1.00 0.00 O ATOM 0 H GLU B 79 -2.380 18.046 2.517 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.503 18.614 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.601 17.196 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.345 18.567 0.778 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.063 19.945 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.184 18.657 -2.027 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.155 20.899 0.683 1.00 0.00 N ATOM 2188 CA HIS B 80 -1.008 22.286 1.088 1.00 0.00 C ATOM 2189 C HIS B 80 -1.745 23.206 0.117 1.00 0.00 C ATOM 2190 O HIS B 80 -1.140 24.062 -0.528 1.00 0.00 O ATOM 2191 CB HIS B 80 0.477 22.650 1.160 1.00 0.00 C ATOM 2192 CG HIS B 80 0.766 23.900 1.932 1.00 0.00 C ATOM 2193 ND1 HIS B 80 0.672 23.968 3.302 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.165 25.125 1.523 1.00 0.00 C ATOM 2195 CE1 HIS B 80 0.999 25.180 3.703 1.00 0.00 C ATOM 2196 NE2 HIS B 80 1.307 25.906 2.644 1.00 0.00 N ATOM 0 H HIS B 80 -0.356 20.525 0.172 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.448 22.417 2.077 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.021 21.822 1.614 1.00 0.00 H new ATOM 0 HB3 HIS B 80 0.861 22.765 0.146 1.00 0.00 H new ATOM 0 HD2 HIS B 80 1.340 25.433 0.503 1.00 0.00 H new ATOM 0 HE1 HIS B 80 1.013 25.522 4.727 1.00 0.00 H new ATOM 0 HE2 HIS B 80 1.601 26.883 2.656 1.00 0.00 H new ATOM 2205 N GLY B 81 -3.053 23.001 0.005 1.00 0.00 N ATOM 2206 CA GLY B 81 -3.869 23.829 -0.857 1.00 0.00 C ATOM 2207 C GLY B 81 -3.662 23.504 -2.318 1.00 0.00 C ATOM 2208 O GLY B 81 -4.014 22.413 -2.767 1.00 0.00 O ATOM 0 H GLY B 81 -3.564 22.270 0.501 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -4.920 23.693 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -3.631 24.878 -0.682 1.00 0.00 H new ATOM 2212 N PRO B 82 -3.080 24.436 -3.087 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.769 24.211 -4.499 1.00 0.00 C ATOM 2214 C PRO B 82 -1.562 23.292 -4.681 1.00 0.00 C ATOM 2215 O PRO B 82 -1.245 22.882 -5.797 1.00 0.00 O ATOM 2216 CB PRO B 82 -2.458 25.616 -5.018 1.00 0.00 C ATOM 2217 CG PRO B 82 -1.960 26.357 -3.827 1.00 0.00 C ATOM 2218 CD PRO B 82 -2.699 25.792 -2.646 1.00 0.00 C ATOM 0 HA PRO B 82 -3.585 23.719 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -1.709 25.589 -5.809 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -3.346 26.089 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO B 82 -0.884 26.230 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -2.145 27.426 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -2.069 25.762 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -3.574 26.392 -2.397 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.893 22.974 -3.577 1.00 0.00 N ATOM 2227 CA ASN B 83 0.279 22.111 -3.617 1.00 0.00 C ATOM 2228 C ASN B 83 -0.038 20.763 -2.985 1.00 0.00 C ATOM 2229 O ASN B 83 -0.947 20.656 -2.163 1.00 0.00 O ATOM 2230 CB ASN B 83 1.446 22.748 -2.860 1.00 0.00 C ATOM 2231 CG ASN B 83 2.780 22.524 -3.544 1.00 0.00 C ATOM 2232 OD1 ASN B 83 2.893 22.626 -4.765 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.792 22.183 -2.763 1.00 0.00 N ATOM 0 H ASN B 83 -1.144 23.302 -2.644 1.00 0.00 H new ATOM 0 HA ASN B 83 0.558 21.973 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.268 23.819 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN B 83 1.486 22.337 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.708 21.993 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN B 83 3.656 22.110 -1.755 1.00 0.00 H new ATOM 2240 N PHE B 84 0.706 19.745 -3.374 1.00 0.00 N ATOM 2241 CA PHE B 84 0.569 18.422 -2.791 1.00 0.00 C ATOM 2242 C PHE B 84 1.944 17.884 -2.408 1.00 0.00 C ATOM 2243 O PHE B 84 2.826 17.745 -3.260 1.00 0.00 O ATOM 2244 CB PHE B 84 -0.126 17.475 -3.775 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.324 16.084 -3.243 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.299 15.824 -2.294 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.462 15.035 -3.696 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.486 14.545 -1.805 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.279 13.756 -3.210 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.695 13.510 -2.263 1.00 0.00 C ATOM 0 H PHE B 84 1.420 19.810 -4.100 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.045 18.490 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -1.097 17.893 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.462 17.423 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.920 16.630 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.225 15.221 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.250 14.355 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.898 12.948 -3.571 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.838 12.510 -1.881 1.00 0.00 H new ATOM 2260 N GLU B 85 2.127 17.608 -1.127 1.00 0.00 N ATOM 2261 CA GLU B 85 3.395 17.110 -0.623 1.00 0.00 C ATOM 2262 C GLU B 85 3.256 15.677 -0.119 1.00 0.00 C ATOM 2263 O GLU B 85 2.611 15.420 0.900 1.00 0.00 O ATOM 2264 CB GLU B 85 3.930 18.007 0.501 1.00 0.00 C ATOM 2265 CG GLU B 85 4.304 19.417 0.060 1.00 0.00 C ATOM 2266 CD GLU B 85 3.143 20.402 0.088 1.00 0.00 C ATOM 2267 OE1 GLU B 85 1.995 19.984 0.334 1.00 0.00 O ATOM 2268 OE2 GLU B 85 3.395 21.614 -0.121 1.00 0.00 O ATOM 0 H GLU B 85 1.407 17.722 -0.413 1.00 0.00 H new ATOM 0 HA GLU B 85 4.105 17.124 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.176 18.073 1.286 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.807 17.533 0.941 1.00 0.00 H new ATOM 0 HG2 GLU B 85 5.099 19.790 0.706 1.00 0.00 H new ATOM 0 HG3 GLU B 85 4.708 19.375 -0.952 1.00 0.00 H new ATOM 2275 N ALA B 86 3.858 14.746 -0.842 1.00 0.00 N ATOM 2276 CA ALA B 86 3.834 13.343 -0.459 1.00 0.00 C ATOM 2277 C ALA B 86 5.233 12.855 -0.106 1.00 0.00 C ATOM 2278 O ALA B 86 6.107 12.757 -0.971 1.00 0.00 O ATOM 2279 CB ALA B 86 3.243 12.498 -1.575 1.00 0.00 C ATOM 0 H ALA B 86 4.372 14.938 -1.702 1.00 0.00 H new ATOM 0 HA ALA B 86 3.204 13.241 0.425 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.232 11.451 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.224 12.827 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.848 12.609 -2.475 1.00 0.00 H new ATOM 2285 N VAL B 87 5.443 12.574 1.168 1.00 0.00 N ATOM 2286 CA VAL B 87 6.717 12.061 1.645 1.00 0.00 C ATOM 2287 C VAL B 87 6.624 10.556 1.869 1.00 0.00 C ATOM 2288 O VAL B 87 5.782 10.086 2.640 1.00 0.00 O ATOM 2289 CB VAL B 87 7.143 12.752 2.958 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.499 12.250 3.424 1.00 0.00 C ATOM 2291 CG2 VAL B 87 7.162 14.263 2.783 1.00 0.00 C ATOM 0 H VAL B 87 4.741 12.694 1.898 1.00 0.00 H new ATOM 0 HA VAL B 87 7.468 12.273 0.884 1.00 0.00 H new ATOM 0 HB VAL B 87 6.410 12.501 3.725 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.774 12.753 4.351 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.449 11.175 3.596 1.00 0.00 H new ATOM 0 HG13 VAL B 87 9.247 12.461 2.660 1.00 0.00 H new ATOM 0 HG21 VAL B 87 7.464 14.734 3.718 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.869 14.529 1.997 1.00 0.00 H new ATOM 0 HG23 VAL B 87 6.166 14.610 2.508 1.00 0.00 H new ATOM 2301 N ALA B 88 7.474 9.807 1.187 1.00 0.00 N ATOM 2302 CA ALA B 88 7.453 8.355 1.275 1.00 0.00 C ATOM 2303 C ALA B 88 8.836 7.809 1.600 1.00 0.00 C ATOM 2304 O ALA B 88 9.848 8.428 1.274 1.00 0.00 O ATOM 2305 CB ALA B 88 6.942 7.759 -0.029 1.00 0.00 C ATOM 0 H ALA B 88 8.190 10.181 0.564 1.00 0.00 H new ATOM 0 HA ALA B 88 6.779 8.071 2.083 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.930 6.672 0.048 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.932 8.120 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.597 8.058 -0.847 1.00 0.00 H new ATOM 2311 N GLU B 89 8.876 6.653 2.239 1.00 0.00 N ATOM 2312 CA GLU B 89 10.136 6.007 2.566 1.00 0.00 C ATOM 2313 C GLU B 89 10.411 4.883 1.583 1.00 0.00 C ATOM 2314 O GLU B 89 9.498 4.147 1.203 1.00 0.00 O ATOM 2315 CB GLU B 89 10.111 5.454 3.991 1.00 0.00 C ATOM 2316 CG GLU B 89 9.811 6.500 5.051 1.00 0.00 C ATOM 2317 CD GLU B 89 9.760 5.912 6.445 1.00 0.00 C ATOM 2318 OE1 GLU B 89 9.061 4.900 6.640 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.408 6.467 7.357 1.00 0.00 O ATOM 0 H GLU B 89 8.048 6.141 2.543 1.00 0.00 H new ATOM 0 HA GLU B 89 10.930 6.751 2.498 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.362 4.665 4.051 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.075 4.995 4.209 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.574 7.278 5.016 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.857 6.978 4.826 1.00 0.00 H new ATOM 2326 N VAL B 90 11.660 4.759 1.171 1.00 0.00 N ATOM 2327 CA VAL B 90 12.057 3.742 0.210 1.00 0.00 C ATOM 2328 C VAL B 90 12.617 2.523 0.934 1.00 0.00 C ATOM 2329 O VAL B 90 13.490 2.656 1.789 1.00 0.00 O ATOM 2330 CB VAL B 90 13.120 4.285 -0.770 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.495 3.237 -1.803 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.622 5.553 -1.448 1.00 0.00 C ATOM 0 H VAL B 90 12.424 5.355 1.490 1.00 0.00 H new ATOM 0 HA VAL B 90 11.171 3.458 -0.357 1.00 0.00 H new ATOM 0 HB VAL B 90 14.015 4.528 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.245 3.646 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.900 2.359 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.609 2.953 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.384 5.922 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.709 5.335 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.416 6.312 -0.693 1.00 0.00 H new ATOM 2342 N TYR B 91 12.116 1.344 0.594 1.00 0.00 N ATOM 2343 CA TYR B 91 12.546 0.117 1.250 1.00 0.00 C ATOM 2344 C TYR B 91 13.156 -0.856 0.248 1.00 0.00 C ATOM 2345 O TYR B 91 12.830 -0.840 -0.942 1.00 0.00 O ATOM 2346 CB TYR B 91 11.373 -0.572 1.949 1.00 0.00 C ATOM 2347 CG TYR B 91 10.576 0.318 2.872 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.052 0.668 4.130 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.334 0.796 2.483 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.303 1.468 4.977 1.00 0.00 C ATOM 2351 CE2 TYR B 91 8.586 1.598 3.317 1.00 0.00 C ATOM 2352 CZ TYR B 91 9.071 1.932 4.561 1.00 0.00 C ATOM 2353 OH TYR B 91 8.308 2.719 5.395 1.00 0.00 O ATOM 0 H TYR B 91 11.412 1.211 -0.132 1.00 0.00 H new ATOM 0 HA TYR B 91 13.297 0.397 1.989 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.704 -0.978 1.190 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.755 -1.417 2.522 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.019 0.311 4.452 1.00 0.00 H new ATOM 0 HD2 TYR B 91 8.946 0.535 1.509 1.00 0.00 H new ATOM 0 HE1 TYR B 91 10.680 1.727 5.955 1.00 0.00 H new ATOM 0 HE2 TYR B 91 7.622 1.964 2.996 1.00 0.00 H new ATOM 0 HH TYR B 91 8.847 3.470 5.721 1.00 0.00 H new ATOM 2363 N ASN B 92 14.038 -1.702 0.746 1.00 0.00 N ATOM 2364 CA ASN B 92 14.621 -2.772 -0.044 1.00 0.00 C ATOM 2365 C ASN B 92 14.414 -4.091 0.693 1.00 0.00 C ATOM 2366 O ASN B 92 14.209 -4.094 1.909 1.00 0.00 O ATOM 2367 CB ASN B 92 16.114 -2.509 -0.283 1.00 0.00 C ATOM 2368 CG ASN B 92 16.707 -3.409 -1.351 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.217 -4.488 -1.059 1.00 0.00 O ATOM 2370 ND2 ASN B 92 16.655 -2.960 -2.596 1.00 0.00 N ATOM 0 H ASN B 92 14.371 -1.667 1.709 1.00 0.00 H new ATOM 0 HA ASN B 92 14.134 -2.820 -1.018 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.253 -1.468 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.658 -2.654 0.651 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.048 -3.516 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.222 -2.058 -2.795 1.00 0.00 H new ATOM 2377 N ASP B 93 14.447 -5.201 -0.031 1.00 0.00 N ATOM 2378 CA ASP B 93 14.193 -6.508 0.566 1.00 0.00 C ATOM 2379 C ASP B 93 15.344 -6.924 1.477 1.00 0.00 C ATOM 2380 O ASP B 93 16.503 -6.573 1.235 1.00 0.00 O ATOM 2381 CB ASP B 93 13.957 -7.564 -0.520 1.00 0.00 C ATOM 2382 CG ASP B 93 15.144 -7.741 -1.450 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.342 -6.888 -2.339 1.00 0.00 O ATOM 2384 OD2 ASP B 93 15.870 -8.747 -1.311 1.00 0.00 O ATOM 0 H ASP B 93 14.647 -5.225 -1.031 1.00 0.00 H new ATOM 0 HA ASP B 93 13.291 -6.431 1.172 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.730 -8.519 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP B 93 13.082 -7.283 -1.107 1.00 0.00 H new ATOM 2389 N ALA B 94 15.018 -7.664 2.531 1.00 0.00 N ATOM 2390 CA ALA B 94 16.008 -8.066 3.519 1.00 0.00 C ATOM 2391 C ALA B 94 16.880 -9.207 3.009 1.00 0.00 C ATOM 2392 O ALA B 94 16.672 -10.373 3.345 1.00 0.00 O ATOM 2393 CB ALA B 94 15.344 -8.447 4.832 1.00 0.00 C ATOM 0 H ALA B 94 14.073 -7.997 2.722 1.00 0.00 H new ATOM 0 HA ALA B 94 16.655 -7.207 3.697 1.00 0.00 H new ATOM 0 HB1 ALA B 94 16.106 -8.743 5.553 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.790 -7.593 5.221 1.00 0.00 H new ATOM 0 HB3 ALA B 94 14.659 -9.279 4.666 1.00 0.00 H new