USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1476 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 LYS NZ :NH3+ -157:sc= 0.76 (180deg=0.279!) USER MOD Set 1.2: A 176 GLN : amide:sc= -0.458 K(o=0.3,f=-1.2) USER MOD Set 2.1: A 166 MET CE :methyl -137:sc= 0 (180deg=-0.66) USER MOD Set 2.2: A 181 THR OG1 : rot 68:sc= 1.2 USER MOD Set 3.1: A 159 TYR OH : rot 30:sc= 0.243 USER MOD Set 3.2: A 188 LYS NZ :NH3+ -152:sc= 0.251 (180deg=-0.00616) USER MOD Set 4.1: A 104 SER OG : rot -45:sc= 1.82 USER MOD Set 4.2: A 106 SER OG : rot 71:sc= 1.27 USER MOD Set 5.1: A 34 TYR OH : rot 40:sc= 1.25 USER MOD Set 5.2: A 98 LYS NZ :NH3+ -105:sc= 0.669 (180deg=-0.593!) USER MOD Set 6.1: A 27 SER OG : rot 171:sc= 0.679 USER MOD Set 6.2: A 60 HIS : no HE2:sc= 0.778 K(o=-0.56,f=-9.3!) USER MOD Set 6.3: A 62 ASN : amide:sc= -3.78! C(o=-0.56!,f=-6.5!) USER MOD Set 6.4: A 73 THR OG1 : rot 151:sc= 1.76 USER MOD Set 7.1: A 43 SER OG : rot -49:sc= 2.25 USER MOD Set 7.2: A 58 LYS NZ :NH3+ 180:sc= 2.97 (180deg=1.84) USER MOD Set 8.1: A 56 MET CE :methyl -146:sc= -0.758 (180deg=-1.7!) USER MOD Set 8.2: A 153 MET CE :methyl -157:sc= -0.905 (180deg=-1.43) USER MOD Set 9.1: A 30 CYS SG : rot 80:sc= -0.962 USER MOD Set 9.2: A 33 CYS SG : rot 59:sc= 0.0197 USER MOD Set10.1: A 1 ALA N :NH3+ -118:sc= 0.109 (180deg=0) USER MOD Set10.2: A 3 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 2 GLN : amide:sc= 1.07 K(o=1.1,f=-1.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.809 K(o=0.81,f=-7.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 58:sc= 1.15 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.913 K(o=0.91,f=-5.4!) USER MOD Single : A 32 HIS : +bothHN:sc= -0.45 K(o=-0.45,f=-9.2!) USER MOD Single : A 35 GLN : amide:sc= 0.884 K(o=0.88,f=-1.6!) USER MOD Single : A 41 HIS : +bothHN:sc= 0.929 K(o=0.93,f=-9.9!) USER MOD Single : A 45 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= 0.83 (180deg=0.0221) USER MOD Single : A 57 THR OG1 : rot 53:sc= 0.796 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0704 K(o=-0.07,f=-1.7!) USER MOD Single : A 80 MET CE :methyl -179:sc= -0.0354 (180deg=-0.0354) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0731 (180deg=-0.455) USER MOD Single : A 89 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc= 0.624 K(o=0.62,f=-3.7!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 100 GLN : amide:sc= 1.06 K(o=1.1,f=-0.22) USER MOD Single : A 101 THR OG1 : rot 53:sc= -0.186 USER MOD Single : A 114 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 161:sc= -0.165 (180deg=-0.63) USER MOD Single : A 122 TYR OH : rot -112:sc= 0.342 USER MOD Single : A 127 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 128 SER OG : rot 47:sc= 0.85 USER MOD Single : A 132 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 133 SER OG : rot 72:sc= 0.157 USER MOD Single : A 137 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 138 GLN : amide:sc= -0.369! C(o=-0.37!,f=-4.9!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= 0.547 K(o=0.55,f=-3.1!) USER MOD Single : A 158 LYS NZ :NH3+ 145:sc= 0.677 (180deg=-0.387!) USER MOD Single : A 160 GLN : amide:sc= -0.085 K(o=-0.085,f=-1.2) USER MOD Single : A 162 ASN : amide:sc= 0.188 K(o=0.19,f=-5.7!) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.5) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= 0.117 K(o=0.12,f=-2.6!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 157:sc= 0.676 (180deg=-0.0432) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 64:sc= 1.22 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.744 -3.946 8.292 1.00 4.06 N ATOM 2 CA ALA A 1 22.230 -4.552 7.034 1.00 3.55 C ATOM 3 C ALA A 1 22.957 -3.519 6.182 1.00 2.45 C ATOM 4 O ALA A 1 23.074 -2.354 6.564 1.00 2.64 O ATOM 5 CB ALA A 1 21.070 -5.161 6.258 1.00 4.08 C ATOM 0 H1 ALA A 1 22.199 -4.415 9.101 1.00 4.06 H new ATOM 0 H2 ALA A 1 21.978 -2.933 8.302 1.00 4.06 H new ATOM 0 H3 ALA A 1 20.713 -4.064 8.358 1.00 4.06 H new ATOM 0 HA ALA A 1 22.936 -5.344 7.285 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.443 -5.603 5.334 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.593 -5.932 6.863 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.343 -4.384 6.021 1.00 4.08 H new ATOM 13 N GLN A 2 23.443 -3.957 5.032 1.00 1.87 N ATOM 14 CA GLN A 2 24.160 -3.090 4.109 1.00 1.08 C ATOM 15 C GLN A 2 23.186 -2.485 3.105 1.00 0.98 C ATOM 16 O GLN A 2 22.377 -3.199 2.515 1.00 1.20 O ATOM 17 CB GLN A 2 25.230 -3.907 3.388 1.00 1.59 C ATOM 18 CG GLN A 2 26.233 -3.082 2.599 1.00 2.07 C ATOM 19 CD GLN A 2 27.501 -3.860 2.300 1.00 2.84 C ATOM 20 OE1 GLN A 2 27.945 -4.682 3.106 1.00 3.18 O ATOM 21 NE2 GLN A 2 28.085 -3.629 1.139 1.00 3.58 N ATOM 0 H GLN A 2 23.352 -4.921 4.712 1.00 1.87 H new ATOM 0 HA GLN A 2 24.637 -2.278 4.658 1.00 1.08 H new ATOM 0 HB2 GLN A 2 25.769 -4.504 4.123 1.00 1.59 H new ATOM 0 HB3 GLN A 2 24.739 -4.605 2.709 1.00 1.59 H new ATOM 0 HG2 GLN A 2 25.778 -2.757 1.663 1.00 2.07 H new ATOM 0 HG3 GLN A 2 26.484 -2.182 3.161 1.00 2.07 H new ATOM 0 HE21 GLN A 2 27.690 -2.942 0.497 1.00 3.58 H new ATOM 0 HE22 GLN A 2 28.932 -4.138 0.884 1.00 3.58 H new ATOM 30 N TYR A 3 23.252 -1.172 2.925 1.00 0.86 N ATOM 31 CA TYR A 3 22.359 -0.487 2.003 1.00 0.85 C ATOM 32 C TYR A 3 23.141 0.439 1.081 1.00 0.84 C ATOM 33 O TYR A 3 23.827 1.355 1.541 1.00 0.97 O ATOM 34 CB TYR A 3 21.309 0.331 2.762 1.00 0.91 C ATOM 35 CG TYR A 3 20.693 -0.388 3.943 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.769 -1.411 3.764 1.00 1.08 C ATOM 37 CD2 TYR A 3 21.042 -0.041 5.242 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.207 -2.064 4.845 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.485 -0.690 6.326 1.00 1.07 C ATOM 40 CZ TYR A 3 19.572 -1.702 6.123 1.00 1.15 C ATOM 41 OH TYR A 3 19.017 -2.350 7.204 1.00 1.32 O ATOM 0 H TYR A 3 23.914 -0.562 3.405 1.00 0.86 H new ATOM 0 HA TYR A 3 21.857 -1.250 1.408 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.769 1.254 3.114 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.516 0.614 2.070 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.485 -1.701 2.763 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.760 0.749 5.407 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.486 -2.853 4.689 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.764 -0.405 7.330 1.00 1.07 H new ATOM 0 HH TYR A 3 19.382 -1.975 8.033 1.00 1.32 H new ATOM 51 N GLU A 4 23.042 0.186 -0.213 1.00 0.79 N ATOM 52 CA GLU A 4 23.716 0.995 -1.215 1.00 0.81 C ATOM 53 C GLU A 4 22.718 1.436 -2.281 1.00 0.74 C ATOM 54 O GLU A 4 21.888 0.641 -2.740 1.00 0.72 O ATOM 55 CB GLU A 4 24.869 0.211 -1.843 1.00 0.88 C ATOM 56 CG GLU A 4 26.009 -0.057 -0.873 1.00 1.10 C ATOM 57 CD GLU A 4 26.988 -1.087 -1.383 1.00 1.60 C ATOM 58 OE1 GLU A 4 27.729 -0.792 -2.347 1.00 2.08 O1- ATOM 59 OE2 GLU A 4 27.032 -2.197 -0.818 1.00 2.29 O ATOM 0 H GLU A 4 22.494 -0.583 -0.598 1.00 0.79 H new ATOM 0 HA GLU A 4 24.130 1.883 -0.737 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.491 -0.739 -2.221 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.252 0.765 -2.700 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.539 0.875 -0.678 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.598 -0.395 0.078 1.00 1.10 H new ATOM 66 N ASP A 5 22.802 2.703 -2.671 1.00 0.74 N ATOM 67 CA ASP A 5 21.898 3.267 -3.668 1.00 0.71 C ATOM 68 C ASP A 5 22.119 2.610 -5.022 1.00 0.71 C ATOM 69 O ASP A 5 23.256 2.446 -5.469 1.00 0.77 O ATOM 70 CB ASP A 5 22.106 4.779 -3.780 1.00 0.74 C ATOM 71 CG ASP A 5 20.930 5.493 -4.425 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.675 5.276 -5.626 1.00 1.76 O1- ATOM 73 OD2 ASP A 5 20.270 6.297 -3.734 1.00 1.83 O ATOM 0 H ASP A 5 23.491 3.363 -2.310 1.00 0.74 H new ATOM 0 HA ASP A 5 20.874 3.074 -3.349 1.00 0.71 H new ATOM 0 HB2 ASP A 5 22.274 5.192 -2.785 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.007 4.974 -4.362 1.00 0.74 H new ATOM 78 N GLY A 6 21.031 2.217 -5.658 1.00 0.68 N ATOM 79 CA GLY A 6 21.118 1.581 -6.952 1.00 0.70 C ATOM 80 C GLY A 6 20.919 0.084 -6.860 1.00 0.71 C ATOM 81 O GLY A 6 20.713 -0.585 -7.873 1.00 0.78 O ATOM 0 H GLY A 6 20.083 2.328 -5.299 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.367 2.007 -7.617 1.00 0.70 H new ATOM 0 HA3 GLY A 6 22.091 1.791 -7.395 1.00 0.70 H new ATOM 85 N LYS A 7 20.990 -0.445 -5.648 1.00 0.69 N ATOM 86 CA LYS A 7 20.807 -1.871 -5.430 1.00 0.71 C ATOM 87 C LYS A 7 19.554 -2.127 -4.591 1.00 0.64 C ATOM 88 O LYS A 7 18.527 -2.546 -5.119 1.00 0.62 O ATOM 89 CB LYS A 7 22.045 -2.466 -4.755 1.00 0.80 C ATOM 90 CG LYS A 7 21.965 -3.969 -4.525 1.00 0.86 C ATOM 91 CD LYS A 7 22.196 -4.763 -5.805 1.00 1.04 C ATOM 92 CE LYS A 7 21.953 -6.251 -5.581 1.00 1.23 C ATOM 93 NZ LYS A 7 22.518 -7.091 -6.673 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.173 0.092 -4.800 1.00 0.69 H new ATOM 0 HA LYS A 7 20.674 -2.359 -6.395 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.920 -2.249 -5.368 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.197 -1.970 -3.796 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.706 -4.260 -3.781 1.00 0.86 H new ATOM 0 HG3 LYS A 7 20.986 -4.220 -4.116 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.532 -4.397 -6.588 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.217 -4.607 -6.154 1.00 1.04 H new ATOM 0 HE2 LYS A 7 22.396 -6.549 -4.631 1.00 1.23 H new ATOM 0 HE3 LYS A 7 20.881 -6.433 -5.504 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 22.327 -8.094 -6.474 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 22.077 -6.827 -7.577 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 23.545 -6.940 -6.731 1.00 1.87 H new ATOM 107 N GLN A 8 19.637 -1.856 -3.291 1.00 0.66 N ATOM 108 CA GLN A 8 18.502 -2.069 -2.397 1.00 0.62 C ATOM 109 C GLN A 8 17.485 -0.941 -2.526 1.00 0.56 C ATOM 110 O GLN A 8 16.276 -1.175 -2.543 1.00 0.53 O ATOM 111 CB GLN A 8 18.964 -2.176 -0.939 1.00 0.68 C ATOM 112 CG GLN A 8 19.854 -3.377 -0.647 1.00 0.78 C ATOM 113 CD GLN A 8 21.308 -3.127 -0.998 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.744 -1.982 -1.087 1.00 1.46 O ATOM 115 NE2 GLN A 8 22.068 -4.195 -1.188 1.00 1.15 N ATOM 0 H GLN A 8 20.473 -1.491 -2.835 1.00 0.66 H new ATOM 0 HA GLN A 8 18.029 -3.007 -2.689 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.503 -1.267 -0.674 1.00 0.68 H new ATOM 0 HB3 GLN A 8 18.086 -2.225 -0.295 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.778 -3.632 0.410 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.492 -4.238 -1.209 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.666 -5.129 -1.104 1.00 1.15 H new ATOM 0 HE22 GLN A 8 23.056 -4.084 -1.418 1.00 1.15 H new ATOM 124 N TYR A 9 17.976 0.283 -2.616 1.00 0.57 N ATOM 125 CA TYR A 9 17.106 1.438 -2.737 1.00 0.54 C ATOM 126 C TYR A 9 17.651 2.397 -3.783 1.00 0.55 C ATOM 127 O TYR A 9 18.808 2.298 -4.178 1.00 0.62 O ATOM 128 CB TYR A 9 16.967 2.150 -1.384 1.00 0.54 C ATOM 129 CG TYR A 9 18.236 2.825 -0.902 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.206 2.116 -0.198 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.465 4.174 -1.148 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.363 2.734 0.244 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.620 4.794 -0.709 1.00 0.65 C ATOM 134 CZ TYR A 9 20.564 4.072 -0.014 1.00 0.69 C ATOM 135 OH TYR A 9 21.718 4.689 0.422 1.00 0.79 O ATOM 0 H TYR A 9 18.972 0.502 -2.608 1.00 0.57 H new ATOM 0 HA TYR A 9 16.119 1.098 -3.052 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.178 2.898 -1.459 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.648 1.424 -0.636 1.00 0.54 H new ATOM 0 HD1 TYR A 9 19.053 1.067 0.006 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.728 4.747 -1.691 1.00 0.59 H new ATOM 0 HE1 TYR A 9 21.105 2.169 0.789 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.781 5.843 -0.911 1.00 0.65 H new ATOM 0 HH TYR A 9 21.704 5.633 0.157 1.00 0.79 H new ATOM 145 N THR A 10 16.812 3.315 -4.223 1.00 0.53 N ATOM 146 CA THR A 10 17.201 4.299 -5.217 1.00 0.56 C ATOM 147 C THR A 10 16.625 5.665 -4.862 1.00 0.55 C ATOM 148 O THR A 10 15.416 5.800 -4.661 1.00 0.56 O ATOM 149 CB THR A 10 16.706 3.895 -6.618 1.00 0.59 C ATOM 150 OG1 THR A 10 16.115 2.587 -6.569 1.00 0.83 O ATOM 151 CG2 THR A 10 17.849 3.901 -7.617 1.00 0.90 C ATOM 0 H THR A 10 15.847 3.400 -3.904 1.00 0.53 H new ATOM 0 HA THR A 10 18.290 4.349 -5.226 1.00 0.56 H new ATOM 0 HB THR A 10 15.959 4.621 -6.940 1.00 0.59 H new ATOM 0 HG1 THR A 10 15.801 2.336 -7.463 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.475 3.612 -8.599 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.279 4.901 -7.672 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.615 3.194 -7.298 1.00 0.90 H new ATOM 159 N THR A 11 17.486 6.661 -4.741 1.00 0.63 N ATOM 160 CA THR A 11 17.038 8.007 -4.429 1.00 0.65 C ATOM 161 C THR A 11 16.443 8.659 -5.678 1.00 0.65 C ATOM 162 O THR A 11 17.068 8.663 -6.742 1.00 0.73 O ATOM 163 CB THR A 11 18.193 8.873 -3.886 1.00 0.71 C ATOM 164 OG1 THR A 11 18.850 8.189 -2.808 1.00 1.11 O ATOM 165 CG2 THR A 11 17.684 10.224 -3.397 1.00 0.97 C ATOM 0 H THR A 11 18.495 6.564 -4.854 1.00 0.63 H new ATOM 0 HA THR A 11 16.275 7.937 -3.654 1.00 0.65 H new ATOM 0 HB THR A 11 18.899 9.044 -4.699 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.182 7.323 -3.124 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.520 10.813 -3.020 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.210 10.755 -4.223 1.00 0.97 H new ATOM 0 HG23 THR A 11 16.958 10.072 -2.598 1.00 0.97 H new ATOM 173 N LEU A 12 15.232 9.185 -5.554 1.00 0.63 N ATOM 174 CA LEU A 12 14.561 9.823 -6.677 1.00 0.65 C ATOM 175 C LEU A 12 15.085 11.239 -6.889 1.00 0.69 C ATOM 176 O LEU A 12 15.353 11.963 -5.929 1.00 0.71 O ATOM 177 CB LEU A 12 13.048 9.856 -6.441 1.00 0.66 C ATOM 178 CG LEU A 12 12.366 8.486 -6.382 1.00 0.67 C ATOM 179 CD1 LEU A 12 10.957 8.615 -5.827 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.337 7.845 -7.762 1.00 0.72 C ATOM 0 H LEU A 12 14.695 9.182 -4.687 1.00 0.63 H new ATOM 0 HA LEU A 12 14.770 9.239 -7.574 1.00 0.65 H new ATOM 0 HB2 LEU A 12 12.854 10.381 -5.506 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.585 10.440 -7.236 1.00 0.66 H new ATOM 0 HG LEU A 12 12.942 7.844 -5.715 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.488 7.632 -5.793 1.00 0.74 H new ATOM 0 HD12 LEU A 12 10.999 9.032 -4.821 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.372 9.274 -6.469 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.849 6.872 -7.701 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.785 8.486 -8.449 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.357 7.717 -8.125 1.00 0.72 H new ATOM 192 N GLU A 13 15.236 11.628 -8.148 1.00 0.75 N ATOM 193 CA GLU A 13 15.721 12.961 -8.480 1.00 0.81 C ATOM 194 C GLU A 13 14.598 13.975 -8.332 1.00 0.80 C ATOM 195 O GLU A 13 14.839 15.162 -8.123 1.00 0.89 O ATOM 196 CB GLU A 13 16.290 13.016 -9.901 1.00 0.92 C ATOM 197 CG GLU A 13 16.328 11.673 -10.616 1.00 1.05 C ATOM 198 CD GLU A 13 14.983 11.271 -11.185 1.00 1.67 C ATOM 199 OE1 GLU A 13 14.673 11.669 -12.326 1.00 2.33 O ATOM 200 OE2 GLU A 13 14.227 10.561 -10.484 1.00 2.28 O1- ATOM 0 H GLU A 13 15.030 11.040 -8.956 1.00 0.75 H new ATOM 0 HA GLU A 13 16.526 13.205 -7.787 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.693 13.711 -10.491 1.00 0.92 H new ATOM 0 HB3 GLU A 13 17.301 13.420 -9.859 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.060 11.717 -11.423 1.00 1.05 H new ATOM 0 HG3 GLU A 13 16.667 10.906 -9.920 1.00 1.05 H new ATOM 207 N LYS A 14 13.370 13.494 -8.463 1.00 0.75 N ATOM 208 CA LYS A 14 12.188 14.335 -8.317 1.00 0.76 C ATOM 209 C LYS A 14 11.466 13.969 -7.019 1.00 0.70 C ATOM 210 O LYS A 14 10.608 13.086 -7.006 1.00 0.71 O ATOM 211 CB LYS A 14 11.244 14.161 -9.514 1.00 0.84 C ATOM 212 CG LYS A 14 11.916 14.351 -10.870 1.00 1.51 C ATOM 213 CD LYS A 14 12.440 15.765 -11.054 1.00 2.21 C ATOM 214 CE LYS A 14 13.241 15.896 -12.337 1.00 3.19 C ATOM 215 NZ LYS A 14 13.956 17.198 -12.422 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.164 12.517 -8.672 1.00 0.75 H new ATOM 0 HA LYS A 14 12.499 15.379 -8.281 1.00 0.76 H new ATOM 0 HB2 LYS A 14 10.805 13.164 -9.475 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.425 14.874 -9.423 1.00 0.84 H new ATOM 0 HG2 LYS A 14 12.740 13.644 -10.968 1.00 1.51 H new ATOM 0 HG3 LYS A 14 11.203 14.123 -11.663 1.00 1.51 H new ATOM 0 HD2 LYS A 14 11.605 16.465 -11.072 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.065 16.037 -10.203 1.00 2.21 H new ATOM 0 HE2 LYS A 14 13.963 15.082 -12.397 1.00 3.19 H new ATOM 0 HE3 LYS A 14 12.573 15.793 -13.192 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 14.489 17.244 -13.314 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 13.266 17.976 -12.391 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 14.613 17.286 -11.621 1.00 3.64 H new ATOM 229 N PRO A 15 11.820 14.631 -5.910 1.00 0.70 N ATOM 230 CA PRO A 15 11.224 14.353 -4.605 1.00 0.68 C ATOM 231 C PRO A 15 9.824 14.934 -4.465 1.00 0.67 C ATOM 232 O PRO A 15 9.499 15.970 -5.052 1.00 0.76 O ATOM 233 CB PRO A 15 12.187 15.037 -3.633 1.00 0.72 C ATOM 234 CG PRO A 15 12.779 16.162 -4.405 1.00 0.85 C ATOM 235 CD PRO A 15 12.826 15.712 -5.842 1.00 0.79 C ATOM 0 HA PRO A 15 11.101 13.284 -4.431 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.664 15.398 -2.748 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.957 14.346 -3.289 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.177 17.065 -4.300 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.778 16.401 -4.040 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.583 16.527 -6.524 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.818 15.352 -6.116 1.00 0.79 H new ATOM 243 N VAL A 16 8.999 14.255 -3.688 1.00 0.62 N ATOM 244 CA VAL A 16 7.640 14.703 -3.448 1.00 0.64 C ATOM 245 C VAL A 16 7.587 15.537 -2.174 1.00 0.64 C ATOM 246 O VAL A 16 7.843 15.038 -1.077 1.00 0.66 O ATOM 247 CB VAL A 16 6.657 13.518 -3.337 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.217 14.012 -3.345 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.892 12.509 -4.458 1.00 0.72 C ATOM 0 H VAL A 16 9.248 13.388 -3.211 1.00 0.62 H new ATOM 0 HA VAL A 16 7.336 15.310 -4.300 1.00 0.64 H new ATOM 0 HB VAL A 16 6.838 13.014 -2.388 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.540 13.161 -3.266 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.058 14.682 -2.500 1.00 0.70 H new ATOM 0 HG13 VAL A 16 5.021 14.547 -4.274 1.00 0.70 H new ATOM 0 HG21 VAL A 16 6.187 11.683 -4.358 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.746 12.996 -5.422 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.911 12.126 -4.395 1.00 0.72 H new ATOM 259 N ALA A 17 7.287 16.815 -2.328 1.00 0.71 N ATOM 260 CA ALA A 17 7.208 17.719 -1.193 1.00 0.75 C ATOM 261 C ALA A 17 5.902 17.516 -0.441 1.00 0.72 C ATOM 262 O ALA A 17 4.825 17.518 -1.042 1.00 0.80 O ATOM 263 CB ALA A 17 7.340 19.163 -1.651 1.00 0.89 C ATOM 0 H ALA A 17 7.094 17.251 -3.230 1.00 0.71 H new ATOM 0 HA ALA A 17 8.033 17.496 -0.517 1.00 0.75 H new ATOM 0 HB1 ALA A 17 7.278 19.826 -0.788 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.301 19.301 -2.147 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.535 19.399 -2.347 1.00 0.89 H new ATOM 269 N GLY A 18 6.003 17.340 0.870 1.00 0.71 N ATOM 270 CA GLY A 18 4.824 17.127 1.686 1.00 0.73 C ATOM 271 C GLY A 18 4.315 15.702 1.593 1.00 0.68 C ATOM 272 O GLY A 18 3.109 15.460 1.635 1.00 0.73 O ATOM 0 H GLY A 18 6.884 17.341 1.384 1.00 0.71 H new ATOM 0 HA2 GLY A 18 5.056 17.361 2.725 1.00 0.73 H new ATOM 0 HA3 GLY A 18 4.038 17.813 1.372 1.00 0.73 H new ATOM 276 N ALA A 19 5.235 14.761 1.458 1.00 0.64 N ATOM 277 CA ALA A 19 4.883 13.353 1.364 1.00 0.60 C ATOM 278 C ALA A 19 5.036 12.672 2.724 1.00 0.57 C ATOM 279 O ALA A 19 5.871 13.077 3.536 1.00 0.61 O ATOM 280 CB ALA A 19 5.749 12.666 0.315 1.00 0.61 C ATOM 0 H ALA A 19 6.237 14.948 1.411 1.00 0.64 H new ATOM 0 HA ALA A 19 3.840 13.271 1.059 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.478 11.612 0.252 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.591 13.140 -0.654 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.799 12.754 0.595 1.00 0.61 H new ATOM 286 N PRO A 20 4.212 11.644 2.997 1.00 0.54 N ATOM 287 CA PRO A 20 4.257 10.899 4.265 1.00 0.54 C ATOM 288 C PRO A 20 5.573 10.144 4.460 1.00 0.51 C ATOM 289 O PRO A 20 6.377 10.023 3.532 1.00 0.52 O ATOM 290 CB PRO A 20 3.088 9.916 4.144 1.00 0.55 C ATOM 291 CG PRO A 20 2.805 9.812 2.686 1.00 0.56 C ATOM 292 CD PRO A 20 3.159 11.143 2.098 1.00 0.55 C ATOM 0 HA PRO A 20 4.186 11.564 5.126 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.347 8.944 4.564 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.215 10.276 4.689 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.394 9.016 2.231 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.756 9.574 2.509 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.518 11.047 1.073 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.299 11.813 2.073 1.00 0.55 H new ATOM 300 N GLN A 21 5.776 9.627 5.668 1.00 0.52 N ATOM 301 CA GLN A 21 6.993 8.890 6.001 1.00 0.51 C ATOM 302 C GLN A 21 7.082 7.590 5.206 1.00 0.46 C ATOM 303 O GLN A 21 8.009 7.392 4.426 1.00 0.47 O ATOM 304 CB GLN A 21 7.056 8.579 7.502 1.00 0.56 C ATOM 305 CG GLN A 21 6.886 9.793 8.403 1.00 0.66 C ATOM 306 CD GLN A 21 5.452 10.001 8.860 1.00 0.93 C ATOM 307 OE1 GLN A 21 4.501 9.715 8.131 1.00 1.79 O ATOM 308 NE2 GLN A 21 5.287 10.493 10.078 1.00 0.95 N ATOM 0 H GLN A 21 5.110 9.705 6.437 1.00 0.52 H new ATOM 0 HA GLN A 21 7.839 9.524 5.736 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.281 7.852 7.743 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.014 8.109 7.723 1.00 0.56 H new ATOM 0 HG2 GLN A 21 7.527 9.681 9.278 1.00 0.66 H new ATOM 0 HG3 GLN A 21 7.224 10.683 7.871 1.00 0.66 H new ATOM 0 HE21 GLN A 21 6.100 10.718 10.652 1.00 0.95 H new ATOM 0 HE22 GLN A 21 4.347 10.647 10.443 1.00 0.95 H new ATOM 317 N VAL A 22 6.118 6.703 5.405 1.00 0.43 N ATOM 318 CA VAL A 22 6.112 5.432 4.697 1.00 0.40 C ATOM 319 C VAL A 22 4.895 5.327 3.787 1.00 0.38 C ATOM 320 O VAL A 22 3.770 5.130 4.249 1.00 0.42 O ATOM 321 CB VAL A 22 6.140 4.237 5.677 1.00 0.42 C ATOM 322 CG1 VAL A 22 6.134 2.915 4.921 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.359 4.323 6.587 1.00 0.45 C ATOM 0 H VAL A 22 5.336 6.838 6.046 1.00 0.43 H new ATOM 0 HA VAL A 22 7.016 5.395 4.088 1.00 0.40 H new ATOM 0 HB VAL A 22 5.242 4.281 6.293 1.00 0.42 H new ATOM 0 HG11 VAL A 22 6.154 2.089 5.632 1.00 0.45 H new ATOM 0 HG12 VAL A 22 5.232 2.848 4.312 1.00 0.45 H new ATOM 0 HG13 VAL A 22 7.011 2.860 4.277 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.363 3.474 7.271 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.266 4.307 5.983 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.321 5.250 7.160 1.00 0.45 H new ATOM 333 N LEU A 23 5.120 5.479 2.494 1.00 0.36 N ATOM 334 CA LEU A 23 4.042 5.402 1.523 1.00 0.36 C ATOM 335 C LEU A 23 4.133 4.113 0.719 1.00 0.32 C ATOM 336 O LEU A 23 5.163 3.821 0.112 1.00 0.35 O ATOM 337 CB LEU A 23 4.089 6.610 0.591 1.00 0.41 C ATOM 338 CG LEU A 23 2.906 6.754 -0.372 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.597 6.823 0.395 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.075 7.992 -1.240 1.00 0.53 C ATOM 0 H LEU A 23 6.040 5.657 2.091 1.00 0.36 H new ATOM 0 HA LEU A 23 3.093 5.405 2.059 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.150 7.512 1.199 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.006 6.558 0.005 1.00 0.41 H new ATOM 0 HG LEU A 23 2.882 5.876 -1.018 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.769 6.925 -0.307 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.468 5.911 0.978 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.613 7.683 1.065 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.226 8.079 -1.918 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.125 8.877 -0.606 1.00 0.53 H new ATOM 0 HD23 LEU A 23 3.995 7.908 -1.819 1.00 0.53 H new ATOM 352 N GLU A 24 3.062 3.345 0.729 1.00 0.32 N ATOM 353 CA GLU A 24 3.012 2.088 -0.002 1.00 0.30 C ATOM 354 C GLU A 24 1.795 2.065 -0.917 1.00 0.29 C ATOM 355 O GLU A 24 0.724 2.542 -0.543 1.00 0.35 O ATOM 356 CB GLU A 24 2.947 0.909 0.974 1.00 0.36 C ATOM 357 CG GLU A 24 3.046 -0.457 0.308 1.00 0.39 C ATOM 358 CD GLU A 24 2.263 -1.519 1.054 1.00 0.90 C ATOM 359 OE1 GLU A 24 2.789 -2.073 2.045 1.00 1.61 O ATOM 360 OE2 GLU A 24 1.114 -1.797 0.658 1.00 1.54 O1- ATOM 0 H GLU A 24 2.207 3.569 1.238 1.00 0.32 H new ATOM 0 HA GLU A 24 3.916 1.999 -0.605 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.755 1.007 1.699 1.00 0.36 H new ATOM 0 HB3 GLU A 24 2.011 0.963 1.530 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.676 -0.388 -0.715 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.093 -0.755 0.249 1.00 0.39 H new ATOM 367 N PHE A 25 1.962 1.526 -2.112 1.00 0.27 N ATOM 368 CA PHE A 25 0.868 1.439 -3.074 1.00 0.29 C ATOM 369 C PHE A 25 0.488 -0.017 -3.303 1.00 0.29 C ATOM 370 O PHE A 25 1.341 -0.903 -3.231 1.00 0.34 O ATOM 371 CB PHE A 25 1.262 2.083 -4.405 1.00 0.35 C ATOM 372 CG PHE A 25 1.559 3.553 -4.305 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.547 4.488 -4.449 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.850 3.996 -4.080 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.819 5.839 -4.363 1.00 0.52 C ATOM 376 CE2 PHE A 25 3.129 5.344 -3.993 1.00 0.50 C ATOM 377 CZ PHE A 25 2.113 6.268 -4.139 1.00 0.53 C ATOM 0 H PHE A 25 2.846 1.140 -2.444 1.00 0.27 H new ATOM 0 HA PHE A 25 0.012 1.977 -2.666 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.140 1.571 -4.800 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.456 1.933 -5.123 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.465 4.157 -4.630 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.649 3.278 -3.971 1.00 0.42 H new ATOM 0 HE1 PHE A 25 0.021 6.559 -4.471 1.00 0.52 H new ATOM 0 HE2 PHE A 25 4.140 5.676 -3.811 1.00 0.50 H new ATOM 0 HZ PHE A 25 2.330 7.324 -4.078 1.00 0.53 H new ATOM 387 N PHE A 26 -0.791 -0.264 -3.567 1.00 0.31 N ATOM 388 CA PHE A 26 -1.268 -1.617 -3.803 1.00 0.32 C ATOM 389 C PHE A 26 -2.642 -1.615 -4.474 1.00 0.34 C ATOM 390 O PHE A 26 -3.260 -0.562 -4.668 1.00 0.38 O ATOM 391 CB PHE A 26 -1.324 -2.398 -2.478 1.00 0.34 C ATOM 392 CG PHE A 26 -2.601 -2.217 -1.696 1.00 0.36 C ATOM 393 CD1 PHE A 26 -3.086 -0.950 -1.398 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.319 -3.322 -1.266 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.259 -0.792 -0.688 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.491 -3.167 -0.554 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.963 -1.901 -0.267 1.00 0.51 C ATOM 0 H PHE A 26 -1.512 0.455 -3.622 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.567 -2.107 -4.478 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.191 -3.459 -2.691 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.485 -2.090 -1.854 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.539 -0.078 -1.726 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -2.957 -4.315 -1.491 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.625 0.199 -0.462 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.039 -4.036 -0.221 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.882 -1.780 0.287 1.00 0.51 H new ATOM 407 N SER A 27 -3.100 -2.802 -4.834 1.00 0.35 N ATOM 408 CA SER A 27 -4.398 -2.975 -5.454 1.00 0.39 C ATOM 409 C SER A 27 -4.908 -4.377 -5.157 1.00 0.40 C ATOM 410 O SER A 27 -4.143 -5.340 -5.187 1.00 0.40 O ATOM 411 CB SER A 27 -4.330 -2.745 -6.965 1.00 0.42 C ATOM 412 OG SER A 27 -5.631 -2.784 -7.535 1.00 0.96 O ATOM 0 H SER A 27 -2.581 -3.671 -4.704 1.00 0.35 H new ATOM 0 HA SER A 27 -5.084 -2.236 -5.041 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.865 -1.781 -7.171 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.702 -3.507 -7.427 1.00 0.42 H new ATOM 0 HG SER A 27 -5.588 -2.489 -8.469 1.00 0.96 H new ATOM 418 N PHE A 28 -6.196 -4.493 -4.865 1.00 0.45 N ATOM 419 CA PHE A 28 -6.795 -5.785 -4.557 1.00 0.48 C ATOM 420 C PHE A 28 -6.917 -6.633 -5.816 1.00 0.50 C ATOM 421 O PHE A 28 -7.122 -7.839 -5.746 1.00 0.54 O ATOM 422 CB PHE A 28 -8.165 -5.597 -3.906 1.00 0.53 C ATOM 423 CG PHE A 28 -8.104 -4.903 -2.572 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.776 -5.605 -1.426 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.376 -3.548 -2.467 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.718 -4.971 -0.202 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.320 -2.909 -1.246 1.00 0.62 C ATOM 428 CZ PHE A 28 -7.991 -3.622 -0.112 1.00 0.60 C ATOM 0 H PHE A 28 -6.847 -3.708 -4.835 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.145 -6.305 -3.853 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.802 -5.021 -4.578 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.635 -6.572 -3.779 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.563 -6.662 -1.490 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.635 -2.986 -3.352 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.459 -5.530 0.685 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.533 -1.852 -1.178 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.947 -3.124 0.846 1.00 0.60 H new ATOM 438 N PHE A 29 -6.773 -5.989 -6.967 1.00 0.51 N ATOM 439 CA PHE A 29 -6.858 -6.680 -8.251 1.00 0.55 C ATOM 440 C PHE A 29 -5.489 -7.193 -8.669 1.00 0.50 C ATOM 441 O PHE A 29 -5.337 -7.809 -9.724 1.00 0.58 O ATOM 442 CB PHE A 29 -7.385 -5.738 -9.336 1.00 0.59 C ATOM 443 CG PHE A 29 -8.726 -5.138 -9.035 1.00 0.89 C ATOM 444 CD1 PHE A 29 -8.824 -3.946 -8.337 1.00 1.17 C ATOM 445 CD2 PHE A 29 -9.889 -5.757 -9.459 1.00 1.21 C ATOM 446 CE1 PHE A 29 -10.055 -3.388 -8.065 1.00 1.60 C ATOM 447 CE2 PHE A 29 -11.124 -5.203 -9.189 1.00 1.63 C ATOM 448 CZ PHE A 29 -11.206 -4.016 -8.490 1.00 1.78 C ATOM 0 H PHE A 29 -6.596 -4.987 -7.040 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.544 -7.519 -8.134 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.665 -4.933 -9.483 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.448 -6.285 -10.277 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -7.926 -3.448 -8.002 1.00 1.17 H new ATOM 0 HD2 PHE A 29 -9.829 -6.685 -10.008 1.00 1.21 H new ATOM 0 HE1 PHE A 29 -10.117 -2.458 -7.519 1.00 1.60 H new ATOM 0 HE2 PHE A 29 -12.024 -5.697 -9.524 1.00 1.63 H new ATOM 0 HZ PHE A 29 -12.171 -3.580 -8.276 1.00 1.78 H new ATOM 458 N CYS A 30 -4.494 -6.928 -7.840 1.00 0.46 N ATOM 459 CA CYS A 30 -3.136 -7.335 -8.132 1.00 0.44 C ATOM 460 C CYS A 30 -2.700 -8.480 -7.227 1.00 0.45 C ATOM 461 O CYS A 30 -2.552 -8.303 -6.012 1.00 0.44 O ATOM 462 CB CYS A 30 -2.192 -6.142 -7.968 1.00 0.41 C ATOM 463 SG CYS A 30 -0.468 -6.500 -8.369 1.00 0.48 S ATOM 0 H CYS A 30 -4.605 -6.431 -6.956 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.096 -7.688 -9.163 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.540 -5.328 -8.604 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.248 -5.788 -6.939 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.308 -6.472 -9.659 1.00 0.48 H new ATOM 469 N PRO A 31 -2.489 -9.676 -7.803 1.00 0.51 N ATOM 470 CA PRO A 31 -2.046 -10.845 -7.042 1.00 0.56 C ATOM 471 C PRO A 31 -0.662 -10.614 -6.445 1.00 0.50 C ATOM 472 O PRO A 31 -0.288 -11.221 -5.437 1.00 0.50 O ATOM 473 CB PRO A 31 -2.011 -11.972 -8.078 1.00 0.67 C ATOM 474 CG PRO A 31 -1.990 -11.303 -9.409 1.00 0.70 C ATOM 475 CD PRO A 31 -2.682 -9.979 -9.233 1.00 0.58 C ATOM 0 HA PRO A 31 -2.702 -11.069 -6.201 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.130 -12.600 -7.943 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.882 -12.620 -7.980 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.966 -11.162 -9.756 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.500 -11.911 -10.157 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.244 -9.210 -9.869 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.739 -10.041 -9.491 1.00 0.58 H new ATOM 483 N HIS A 32 0.086 -9.708 -7.069 1.00 0.49 N ATOM 484 CA HIS A 32 1.424 -9.364 -6.620 1.00 0.48 C ATOM 485 C HIS A 32 1.355 -8.671 -5.264 1.00 0.39 C ATOM 486 O HIS A 32 2.293 -8.740 -4.471 1.00 0.42 O ATOM 487 CB HIS A 32 2.104 -8.449 -7.639 1.00 0.57 C ATOM 488 CG HIS A 32 3.596 -8.510 -7.618 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.347 -8.331 -6.474 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.483 -8.719 -8.617 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.624 -8.426 -6.774 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.738 -8.662 -8.067 1.00 1.42 N ATOM 0 H HIS A 32 -0.220 -9.196 -7.896 1.00 0.49 H new ATOM 0 HA HIS A 32 2.009 -10.279 -6.524 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.755 -8.713 -8.637 1.00 0.57 H new ATOM 0 HB3 HIS A 32 1.791 -7.422 -7.453 1.00 0.57 H new ATOM 0 HD1 HIS A 32 3.971 -8.153 -5.543 1.00 1.63 H new ATOM 0 HD2 HIS A 32 4.247 -8.898 -9.656 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.443 -8.327 -6.077 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.615 -8.782 -8.574 1.00 1.42 H new ATOM 501 N CYS A 33 0.244 -7.987 -5.009 1.00 0.37 N ATOM 502 CA CYS A 33 0.048 -7.301 -3.743 1.00 0.32 C ATOM 503 C CYS A 33 -0.377 -8.303 -2.679 1.00 0.32 C ATOM 504 O CYS A 33 0.065 -8.227 -1.540 1.00 0.29 O ATOM 505 CB CYS A 33 -0.997 -6.195 -3.883 1.00 0.34 C ATOM 506 SG CYS A 33 -0.532 -4.899 -5.052 1.00 0.36 S ATOM 0 H CYS A 33 -0.532 -7.895 -5.664 1.00 0.37 H new ATOM 0 HA CYS A 33 0.989 -6.839 -3.443 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.941 -6.638 -4.202 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.170 -5.745 -2.905 1.00 0.34 H new ATOM 0 HG CYS A 33 -0.342 -5.422 -6.227 1.00 0.36 H new ATOM 512 N TYR A 34 -1.215 -9.263 -3.075 1.00 0.40 N ATOM 513 CA TYR A 34 -1.692 -10.299 -2.160 1.00 0.44 C ATOM 514 C TYR A 34 -0.510 -11.086 -1.616 1.00 0.41 C ATOM 515 O TYR A 34 -0.476 -11.459 -0.442 1.00 0.41 O ATOM 516 CB TYR A 34 -2.670 -11.241 -2.876 1.00 0.55 C ATOM 517 CG TYR A 34 -3.371 -12.222 -1.960 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.365 -11.798 -1.086 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.048 -13.573 -1.976 1.00 0.94 C ATOM 520 CE1 TYR A 34 -5.016 -12.689 -0.254 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.695 -14.471 -1.147 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.678 -14.025 -0.288 1.00 0.73 C ATOM 523 OH TYR A 34 -5.324 -14.920 0.538 1.00 0.85 O ATOM 0 H TYR A 34 -1.577 -9.344 -4.025 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.218 -9.823 -1.332 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.421 -10.643 -3.392 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.127 -11.798 -3.639 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.634 -10.752 -1.056 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.279 -13.928 -2.647 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.785 -12.341 0.419 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.432 -15.518 -1.172 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.278 -14.698 0.579 1.00 0.85 H new ATOM 533 N GLN A 35 0.467 -11.322 -2.480 1.00 0.44 N ATOM 534 CA GLN A 35 1.671 -12.042 -2.109 1.00 0.47 C ATOM 535 C GLN A 35 2.496 -11.238 -1.106 1.00 0.37 C ATOM 536 O GLN A 35 3.031 -11.782 -0.145 1.00 0.39 O ATOM 537 CB GLN A 35 2.496 -12.343 -3.361 1.00 0.61 C ATOM 538 CG GLN A 35 3.713 -13.213 -3.103 1.00 1.02 C ATOM 539 CD GLN A 35 3.956 -14.223 -4.206 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.019 -14.701 -4.848 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.218 -14.549 -4.437 1.00 2.27 N ATOM 0 H GLN A 35 0.445 -11.020 -3.454 1.00 0.44 H new ATOM 0 HA GLN A 35 1.387 -12.981 -1.634 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.858 -12.836 -4.094 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.822 -11.402 -3.804 1.00 0.61 H new ATOM 0 HG2 GLN A 35 4.593 -12.578 -2.998 1.00 1.02 H new ATOM 0 HG3 GLN A 35 3.584 -13.739 -2.157 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.963 -14.129 -3.881 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.445 -15.220 -5.171 1.00 2.27 H new ATOM 550 N PHE A 36 2.569 -9.936 -1.311 1.00 0.33 N ATOM 551 CA PHE A 36 3.340 -9.079 -0.423 1.00 0.29 C ATOM 552 C PHE A 36 2.579 -8.791 0.871 1.00 0.23 C ATOM 553 O PHE A 36 3.187 -8.552 1.912 1.00 0.29 O ATOM 554 CB PHE A 36 3.709 -7.774 -1.136 1.00 0.34 C ATOM 555 CG PHE A 36 4.960 -7.875 -1.963 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.211 -9.003 -2.730 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.886 -6.843 -1.973 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.360 -9.099 -3.491 1.00 0.77 C ATOM 559 CE2 PHE A 36 7.038 -6.936 -2.734 1.00 0.83 C ATOM 560 CZ PHE A 36 7.276 -8.066 -3.491 1.00 0.87 C ATOM 0 H PHE A 36 2.108 -9.449 -2.079 1.00 0.33 H new ATOM 0 HA PHE A 36 4.257 -9.605 -0.156 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.881 -7.474 -1.779 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.837 -6.987 -0.393 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.500 -9.816 -2.732 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.706 -5.958 -1.381 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.542 -9.982 -4.086 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.751 -6.125 -2.736 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.177 -8.142 -4.082 1.00 0.87 H new ATOM 570 N GLU A 37 1.256 -8.847 0.805 1.00 0.25 N ATOM 571 CA GLU A 37 0.412 -8.571 1.967 1.00 0.36 C ATOM 572 C GLU A 37 0.241 -9.797 2.874 1.00 0.30 C ATOM 573 O GLU A 37 0.534 -9.734 4.060 1.00 0.46 O ATOM 574 CB GLU A 37 -0.963 -8.074 1.508 1.00 0.54 C ATOM 575 CG GLU A 37 -1.779 -7.405 2.605 1.00 0.95 C ATOM 576 CD GLU A 37 -1.542 -5.909 2.690 1.00 1.33 C ATOM 577 OE1 GLU A 37 -1.882 -5.192 1.723 1.00 1.87 O ATOM 578 OE2 GLU A 37 -1.022 -5.439 3.726 1.00 1.89 O1- ATOM 0 H GLU A 37 0.739 -9.082 -0.043 1.00 0.25 H new ATOM 0 HA GLU A 37 0.914 -7.800 2.552 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.827 -7.368 0.689 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.529 -8.917 1.112 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -2.838 -7.590 2.427 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.533 -7.862 3.564 1.00 0.95 H new ATOM 585 N GLU A 38 -0.217 -10.914 2.317 1.00 0.30 N ATOM 586 CA GLU A 38 -0.454 -12.121 3.112 1.00 0.37 C ATOM 587 C GLU A 38 0.748 -13.067 3.132 1.00 0.34 C ATOM 588 O GLU A 38 1.166 -13.527 4.190 1.00 0.50 O ATOM 589 CB GLU A 38 -1.692 -12.857 2.584 1.00 0.55 C ATOM 590 CG GLU A 38 -1.999 -14.164 3.310 1.00 0.99 C ATOM 591 CD GLU A 38 -2.217 -13.987 4.804 1.00 1.34 C ATOM 592 OE1 GLU A 38 -1.232 -14.064 5.569 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -3.373 -13.785 5.223 1.00 1.89 O ATOM 0 H GLU A 38 -0.431 -11.012 1.325 1.00 0.30 H new ATOM 0 HA GLU A 38 -0.619 -11.799 4.140 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.556 -12.197 2.666 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.551 -13.068 1.524 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -2.889 -14.614 2.871 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -1.177 -14.862 3.150 1.00 0.99 H new ATOM 600 N VAL A 39 1.312 -13.362 1.975 1.00 0.33 N ATOM 601 CA VAL A 39 2.442 -14.286 1.910 1.00 0.37 C ATOM 602 C VAL A 39 3.667 -13.729 2.635 1.00 0.31 C ATOM 603 O VAL A 39 4.206 -14.371 3.537 1.00 0.43 O ATOM 604 CB VAL A 39 2.809 -14.627 0.451 1.00 0.48 C ATOM 605 CG1 VAL A 39 4.010 -15.561 0.392 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.617 -15.240 -0.269 1.00 0.58 C ATOM 0 H VAL A 39 1.015 -12.984 1.075 1.00 0.33 H new ATOM 0 HA VAL A 39 2.128 -15.201 2.413 1.00 0.37 H new ATOM 0 HB VAL A 39 3.080 -13.700 -0.055 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.246 -15.785 -0.648 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.867 -15.081 0.864 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.777 -16.487 0.918 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.894 -15.474 -1.297 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.314 -16.154 0.242 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.788 -14.532 -0.269 1.00 0.58 H new ATOM 616 N LEU A 40 4.086 -12.530 2.261 1.00 0.24 N ATOM 617 CA LEU A 40 5.264 -11.913 2.864 1.00 0.24 C ATOM 618 C LEU A 40 4.916 -11.041 4.070 1.00 0.23 C ATOM 619 O LEU A 40 5.708 -10.932 5.005 1.00 0.27 O ATOM 620 CB LEU A 40 6.005 -11.071 1.823 1.00 0.26 C ATOM 621 CG LEU A 40 6.402 -11.809 0.540 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.192 -10.891 -0.378 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.199 -13.061 0.863 1.00 0.41 C ATOM 0 H LEU A 40 3.631 -11.964 1.545 1.00 0.24 H new ATOM 0 HA LEU A 40 5.902 -12.723 3.217 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.377 -10.222 1.554 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.907 -10.667 2.283 1.00 0.26 H new ATOM 0 HG LEU A 40 5.491 -12.112 0.023 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.466 -11.431 -1.284 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.582 -10.027 -0.641 1.00 0.35 H new ATOM 0 HD13 LEU A 40 8.095 -10.556 0.132 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.470 -13.569 -0.063 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.104 -12.786 1.405 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.596 -13.728 1.479 1.00 0.41 H new ATOM 635 N HIS A 41 3.730 -10.432 4.049 1.00 0.20 N ATOM 636 CA HIS A 41 3.289 -9.539 5.130 1.00 0.23 C ATOM 637 C HIS A 41 4.259 -8.374 5.272 1.00 0.22 C ATOM 638 O HIS A 41 4.650 -8.004 6.379 1.00 0.28 O ATOM 639 CB HIS A 41 3.155 -10.284 6.467 1.00 0.30 C ATOM 640 CG HIS A 41 1.805 -10.894 6.691 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.663 -10.152 6.908 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.415 -12.185 6.713 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.363 -10.961 7.056 1.00 0.84 C ATOM 644 NE2 HIS A 41 0.057 -12.207 6.932 1.00 0.68 N ATOM 0 H HIS A 41 3.053 -10.539 3.294 1.00 0.20 H new ATOM 0 HA HIS A 41 2.302 -9.159 4.865 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.909 -11.070 6.511 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.369 -9.591 7.281 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.621 -9.134 6.948 1.00 0.82 H new ATOM 0 HD2 HIS A 41 2.054 -13.046 6.582 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.381 -10.657 7.247 1.00 0.84 H new ATOM 0 HE2 HIS A 41 -0.526 -13.042 6.989 1.00 0.68 H new ATOM 653 N ILE A 42 4.634 -7.798 4.136 1.00 0.23 N ATOM 654 CA ILE A 42 5.570 -6.680 4.101 1.00 0.26 C ATOM 655 C ILE A 42 5.081 -5.530 4.970 1.00 0.27 C ATOM 656 O ILE A 42 5.790 -5.090 5.871 1.00 0.31 O ATOM 657 CB ILE A 42 5.782 -6.168 2.658 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.353 -7.270 1.763 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.692 -4.945 2.645 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.735 -7.745 2.173 1.00 0.41 C ATOM 0 H ILE A 42 4.300 -8.090 3.218 1.00 0.23 H new ATOM 0 HA ILE A 42 6.519 -7.048 4.490 1.00 0.26 H new ATOM 0 HB ILE A 42 4.809 -5.877 2.261 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.671 -8.120 1.771 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.395 -6.905 0.737 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.827 -4.603 1.619 1.00 0.37 H new ATOM 0 HG22 ILE A 42 6.240 -4.149 3.237 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.661 -5.208 3.070 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.069 -8.526 1.490 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.433 -6.908 2.137 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.697 -8.143 3.187 1.00 0.41 H new ATOM 672 N SER A 43 3.867 -5.067 4.701 1.00 0.33 N ATOM 673 CA SER A 43 3.276 -3.966 5.445 1.00 0.39 C ATOM 674 C SER A 43 3.296 -4.226 6.950 1.00 0.38 C ATOM 675 O SER A 43 3.709 -3.366 7.727 1.00 0.45 O ATOM 676 CB SER A 43 1.849 -3.751 4.961 1.00 0.50 C ATOM 677 OG SER A 43 1.778 -3.939 3.560 1.00 1.03 O ATOM 0 H SER A 43 3.269 -5.442 3.965 1.00 0.33 H new ATOM 0 HA SER A 43 3.868 -3.068 5.267 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.177 -4.447 5.464 1.00 0.50 H new ATOM 0 HB3 SER A 43 1.517 -2.745 5.218 1.00 0.50 H new ATOM 0 HG SER A 43 2.494 -3.430 3.125 1.00 1.03 H new ATOM 683 N ASP A 44 2.869 -5.416 7.351 1.00 0.37 N ATOM 684 CA ASP A 44 2.832 -5.786 8.764 1.00 0.44 C ATOM 685 C ASP A 44 4.222 -5.747 9.380 1.00 0.41 C ATOM 686 O ASP A 44 4.406 -5.231 10.482 1.00 0.52 O ATOM 687 CB ASP A 44 2.240 -7.184 8.944 1.00 0.51 C ATOM 688 CG ASP A 44 0.783 -7.252 8.553 1.00 0.92 C ATOM 689 OD1 ASP A 44 -0.080 -6.934 9.401 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 0.500 -7.619 7.397 1.00 1.73 O ATOM 0 H ASP A 44 2.542 -6.145 6.717 1.00 0.37 H new ATOM 0 HA ASP A 44 2.200 -5.058 9.273 1.00 0.44 H new ATOM 0 HB2 ASP A 44 2.807 -7.895 8.343 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.348 -7.489 9.985 1.00 0.51 H new ATOM 695 N ASN A 45 5.197 -6.284 8.657 1.00 0.33 N ATOM 696 CA ASN A 45 6.574 -6.317 9.135 1.00 0.37 C ATOM 697 C ASN A 45 7.137 -4.907 9.259 1.00 0.39 C ATOM 698 O ASN A 45 7.776 -4.568 10.255 1.00 0.48 O ATOM 699 CB ASN A 45 7.455 -7.147 8.194 1.00 0.38 C ATOM 700 CG ASN A 45 7.452 -8.628 8.535 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.259 -9.093 9.340 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.557 -9.381 7.915 1.00 1.12 N ATOM 0 H ASN A 45 5.060 -6.703 7.737 1.00 0.33 H new ATOM 0 HA ASN A 45 6.574 -6.783 10.120 1.00 0.37 H new ATOM 0 HB2 ASN A 45 7.109 -7.015 7.169 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.477 -6.772 8.236 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.520 -10.384 8.098 1.00 1.12 H new ATOM 0 HD22 ASN A 45 5.905 -8.958 7.254 1.00 1.12 H new ATOM 709 N VAL A 46 6.882 -4.089 8.248 1.00 0.33 N ATOM 710 CA VAL A 46 7.359 -2.712 8.234 1.00 0.36 C ATOM 711 C VAL A 46 6.764 -1.923 9.403 1.00 0.43 C ATOM 712 O VAL A 46 7.489 -1.255 10.138 1.00 0.49 O ATOM 713 CB VAL A 46 7.017 -2.014 6.896 1.00 0.33 C ATOM 714 CG1 VAL A 46 7.358 -0.534 6.948 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.749 -2.683 5.740 1.00 0.31 C ATOM 0 H VAL A 46 6.345 -4.356 7.423 1.00 0.33 H new ATOM 0 HA VAL A 46 8.444 -2.737 8.340 1.00 0.36 H new ATOM 0 HB VAL A 46 5.943 -2.111 6.734 1.00 0.33 H new ATOM 0 HG11 VAL A 46 7.107 -0.069 5.995 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.788 -0.057 7.745 1.00 0.43 H new ATOM 0 HG13 VAL A 46 8.424 -0.413 7.142 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.496 -2.178 4.808 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.825 -2.621 5.906 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.451 -3.730 5.678 1.00 0.31 H new ATOM 725 N LYS A 47 5.450 -2.052 9.595 1.00 0.46 N ATOM 726 CA LYS A 47 4.739 -1.349 10.666 1.00 0.56 C ATOM 727 C LYS A 47 5.367 -1.595 12.037 1.00 0.60 C ATOM 728 O LYS A 47 5.327 -0.729 12.913 1.00 0.70 O ATOM 729 CB LYS A 47 3.272 -1.792 10.712 1.00 0.61 C ATOM 730 CG LYS A 47 2.430 -1.295 9.549 1.00 0.70 C ATOM 731 CD LYS A 47 1.067 -1.975 9.530 1.00 0.88 C ATOM 732 CE LYS A 47 0.290 -1.653 8.259 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.105 -2.175 8.303 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.852 -2.642 9.017 1.00 0.46 H new ATOM 0 HA LYS A 47 4.808 -0.285 10.441 1.00 0.56 H new ATOM 0 HB2 LYS A 47 3.234 -2.881 10.733 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.828 -1.440 11.643 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.300 -0.215 9.625 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.950 -1.489 8.611 1.00 0.70 H new ATOM 0 HD2 LYS A 47 1.198 -3.054 9.612 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.490 -1.657 10.399 1.00 0.88 H new ATOM 0 HE2 LYS A 47 0.267 -0.573 8.113 1.00 1.14 H new ATOM 0 HE3 LYS A 47 0.809 -2.080 7.400 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -1.595 -1.932 7.418 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -1.085 -3.209 8.416 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -1.610 -1.749 9.106 1.00 1.53 H new ATOM 747 N LYS A 48 5.946 -2.775 12.225 1.00 0.55 N ATOM 748 CA LYS A 48 6.550 -3.128 13.504 1.00 0.62 C ATOM 749 C LYS A 48 8.022 -2.725 13.581 1.00 0.61 C ATOM 750 O LYS A 48 8.551 -2.494 14.671 1.00 0.77 O ATOM 751 CB LYS A 48 6.405 -4.629 13.750 1.00 0.71 C ATOM 752 CG LYS A 48 4.960 -5.074 13.894 1.00 0.83 C ATOM 753 CD LYS A 48 4.793 -6.547 13.571 1.00 0.98 C ATOM 754 CE LYS A 48 3.332 -6.966 13.622 1.00 1.52 C ATOM 755 NZ LYS A 48 3.118 -8.344 13.104 1.00 2.02 N1+ ATOM 0 H LYS A 48 6.010 -3.501 11.511 1.00 0.55 H new ATOM 0 HA LYS A 48 6.021 -2.573 14.279 1.00 0.62 H new ATOM 0 HB2 LYS A 48 6.865 -5.172 12.925 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.953 -4.897 14.653 1.00 0.71 H new ATOM 0 HG2 LYS A 48 4.620 -4.884 14.912 1.00 0.83 H new ATOM 0 HG3 LYS A 48 4.329 -4.482 13.231 1.00 0.83 H new ATOM 0 HD2 LYS A 48 5.197 -6.751 12.579 1.00 0.98 H new ATOM 0 HD3 LYS A 48 5.369 -7.143 14.279 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.976 -6.908 14.651 1.00 1.52 H new ATOM 0 HE3 LYS A 48 2.735 -6.265 13.039 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 2.107 -8.583 13.160 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 3.432 -8.395 12.114 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 3.665 -9.019 13.676 1.00 2.02 H new ATOM 769 N LYS A 49 8.685 -2.639 12.436 1.00 0.53 N ATOM 770 CA LYS A 49 10.099 -2.270 12.408 1.00 0.54 C ATOM 771 C LYS A 49 10.284 -0.754 12.421 1.00 0.52 C ATOM 772 O LYS A 49 11.370 -0.254 12.723 1.00 0.64 O ATOM 773 CB LYS A 49 10.800 -2.885 11.190 1.00 0.58 C ATOM 774 CG LYS A 49 11.238 -4.327 11.401 1.00 0.78 C ATOM 775 CD LYS A 49 12.259 -4.761 10.358 1.00 0.87 C ATOM 776 CE LYS A 49 13.096 -5.928 10.853 1.00 1.19 C ATOM 777 NZ LYS A 49 14.161 -6.300 9.886 1.00 1.44 N1+ ATOM 0 H LYS A 49 8.273 -2.817 11.520 1.00 0.53 H new ATOM 0 HA LYS A 49 10.558 -2.670 13.312 1.00 0.54 H new ATOM 0 HB2 LYS A 49 10.127 -2.840 10.334 1.00 0.58 H new ATOM 0 HB3 LYS A 49 11.673 -2.282 10.941 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.666 -4.436 12.397 1.00 0.78 H new ATOM 0 HG3 LYS A 49 10.368 -4.983 11.355 1.00 0.78 H new ATOM 0 HD2 LYS A 49 11.745 -5.044 9.439 1.00 0.87 H new ATOM 0 HD3 LYS A 49 12.910 -3.922 10.113 1.00 0.87 H new ATOM 0 HE2 LYS A 49 13.550 -5.669 11.810 1.00 1.19 H new ATOM 0 HE3 LYS A 49 12.450 -6.788 11.029 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 14.444 -7.288 10.044 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 13.801 -6.194 8.916 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 14.984 -5.678 10.020 1.00 1.44 H new ATOM 791 N LEU A 50 9.225 -0.026 12.098 1.00 0.53 N ATOM 792 CA LEU A 50 9.276 1.429 12.092 1.00 0.54 C ATOM 793 C LEU A 50 9.345 1.969 13.519 1.00 0.54 C ATOM 794 O LEU A 50 8.644 1.478 14.410 1.00 0.59 O ATOM 795 CB LEU A 50 8.048 2.006 11.381 1.00 0.60 C ATOM 796 CG LEU A 50 7.899 1.636 9.903 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.544 2.090 9.379 1.00 1.00 C ATOM 798 CD2 LEU A 50 9.022 2.254 9.084 1.00 0.91 C ATOM 0 H LEU A 50 8.320 -0.418 11.837 1.00 0.53 H new ATOM 0 HA LEU A 50 10.174 1.734 11.554 1.00 0.54 H new ATOM 0 HB2 LEU A 50 7.155 1.674 11.911 1.00 0.60 H new ATOM 0 HB3 LEU A 50 8.081 3.092 11.463 1.00 0.60 H new ATOM 0 HG LEU A 50 7.962 0.552 9.808 1.00 0.64 H new ATOM 0 HD11 LEU A 50 6.452 1.820 8.327 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.752 1.604 9.949 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.456 3.171 9.485 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.901 1.981 8.036 1.00 0.91 H new ATOM 0 HD22 LEU A 50 8.989 3.339 9.182 1.00 0.91 H new ATOM 0 HD23 LEU A 50 9.982 1.886 9.446 1.00 0.91 H new ATOM 810 N PRO A 51 10.204 2.967 13.760 1.00 0.57 N ATOM 811 CA PRO A 51 10.347 3.577 15.083 1.00 0.64 C ATOM 812 C PRO A 51 9.131 4.422 15.457 1.00 0.63 C ATOM 813 O PRO A 51 8.340 4.811 14.590 1.00 0.66 O ATOM 814 CB PRO A 51 11.590 4.456 14.936 1.00 0.73 C ATOM 815 CG PRO A 51 11.671 4.772 13.484 1.00 0.74 C ATOM 816 CD PRO A 51 11.105 3.579 12.764 1.00 0.61 C ATOM 0 HA PRO A 51 10.432 2.832 15.874 1.00 0.64 H new ATOM 0 HB2 PRO A 51 11.504 5.364 15.533 1.00 0.73 H new ATOM 0 HB3 PRO A 51 12.484 3.934 15.277 1.00 0.73 H new ATOM 0 HG2 PRO A 51 11.105 5.673 13.249 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.702 4.956 13.182 1.00 0.74 H new ATOM 0 HD2 PRO A 51 10.566 3.873 11.863 1.00 0.61 H new ATOM 0 HD3 PRO A 51 11.889 2.888 12.455 1.00 0.61 H new ATOM 824 N GLU A 52 8.981 4.699 16.746 1.00 0.71 N ATOM 825 CA GLU A 52 7.861 5.495 17.232 1.00 0.76 C ATOM 826 C GLU A 52 7.863 6.891 16.617 1.00 0.75 C ATOM 827 O GLU A 52 8.877 7.594 16.642 1.00 0.82 O ATOM 828 CB GLU A 52 7.901 5.594 18.757 1.00 0.88 C ATOM 829 CG GLU A 52 7.315 4.375 19.453 1.00 1.52 C ATOM 830 CD GLU A 52 8.316 3.660 20.337 1.00 1.98 C ATOM 831 OE1 GLU A 52 9.378 3.248 19.827 1.00 2.63 O ATOM 832 OE2 GLU A 52 8.035 3.491 21.544 1.00 2.38 O1- ATOM 0 H GLU A 52 9.622 4.384 17.475 1.00 0.71 H new ATOM 0 HA GLU A 52 6.941 4.994 16.930 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.934 5.726 19.079 1.00 0.88 H new ATOM 0 HB3 GLU A 52 7.353 6.482 19.071 1.00 0.88 H new ATOM 0 HG2 GLU A 52 6.461 4.683 20.056 1.00 1.52 H new ATOM 0 HG3 GLU A 52 6.940 3.680 18.702 1.00 1.52 H new ATOM 839 N GLY A 53 6.721 7.282 16.068 1.00 0.76 N ATOM 840 CA GLY A 53 6.599 8.585 15.444 1.00 0.77 C ATOM 841 C GLY A 53 6.407 8.483 13.944 1.00 0.72 C ATOM 842 O GLY A 53 5.972 9.435 13.295 1.00 0.82 O ATOM 0 H GLY A 53 5.872 6.717 16.044 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.755 9.118 15.882 1.00 0.77 H new ATOM 0 HA3 GLY A 53 7.492 9.173 15.656 1.00 0.77 H new ATOM 846 N VAL A 54 6.724 7.320 13.393 1.00 0.69 N ATOM 847 CA VAL A 54 6.588 7.090 11.961 1.00 0.65 C ATOM 848 C VAL A 54 5.286 6.356 11.656 1.00 0.65 C ATOM 849 O VAL A 54 5.043 5.268 12.176 1.00 0.74 O ATOM 850 CB VAL A 54 7.779 6.272 11.412 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.607 5.980 9.929 1.00 0.85 C ATOM 852 CG2 VAL A 54 9.091 7.005 11.663 1.00 1.03 C ATOM 0 H VAL A 54 7.078 6.519 13.917 1.00 0.69 H new ATOM 0 HA VAL A 54 6.576 8.064 11.472 1.00 0.65 H new ATOM 0 HB VAL A 54 7.805 5.320 11.941 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.460 5.403 9.570 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.692 5.409 9.774 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.546 6.919 9.378 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.919 6.415 11.270 1.00 1.03 H new ATOM 0 HG22 VAL A 54 9.068 7.974 11.164 1.00 1.03 H new ATOM 0 HG23 VAL A 54 9.227 7.152 12.735 1.00 1.03 H new ATOM 862 N LYS A 55 4.445 6.960 10.828 1.00 0.64 N ATOM 863 CA LYS A 55 3.173 6.356 10.453 1.00 0.66 C ATOM 864 C LYS A 55 3.256 5.802 9.037 1.00 0.58 C ATOM 865 O LYS A 55 4.035 6.290 8.215 1.00 0.61 O ATOM 866 CB LYS A 55 2.042 7.386 10.544 1.00 0.76 C ATOM 867 CG LYS A 55 0.647 6.781 10.459 1.00 1.35 C ATOM 868 CD LYS A 55 -0.309 7.682 9.688 1.00 1.43 C ATOM 869 CE LYS A 55 -1.745 7.175 9.763 1.00 2.21 C ATOM 870 NZ LYS A 55 -1.936 5.901 9.016 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.621 7.870 10.402 1.00 0.64 H new ATOM 0 HA LYS A 55 2.959 5.541 11.144 1.00 0.66 H new ATOM 0 HB2 LYS A 55 2.134 7.930 11.484 1.00 0.76 H new ATOM 0 HB3 LYS A 55 2.161 8.114 9.741 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.701 5.807 9.973 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.260 6.615 11.464 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.259 8.694 10.090 1.00 1.43 H new ATOM 0 HD3 LYS A 55 0.004 7.737 8.645 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.021 7.026 10.807 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -2.417 7.933 9.361 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -2.769 5.982 8.398 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -1.093 5.708 8.438 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -2.079 5.122 9.690 1.00 2.51 H new ATOM 884 N MET A 56 2.458 4.784 8.755 1.00 0.55 N ATOM 885 CA MET A 56 2.446 4.174 7.438 1.00 0.50 C ATOM 886 C MET A 56 1.211 4.619 6.659 1.00 0.47 C ATOM 887 O MET A 56 0.181 4.962 7.247 1.00 0.59 O ATOM 888 CB MET A 56 2.479 2.649 7.550 1.00 0.57 C ATOM 889 CG MET A 56 2.722 1.956 6.221 1.00 0.85 C ATOM 890 SD MET A 56 2.229 0.228 6.235 1.00 1.09 S ATOM 891 CE MET A 56 2.142 -0.097 4.478 1.00 1.28 C ATOM 0 H MET A 56 1.811 4.364 9.422 1.00 0.55 H new ATOM 0 HA MET A 56 3.336 4.500 6.901 1.00 0.50 H new ATOM 0 HB2 MET A 56 3.261 2.360 8.252 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.533 2.301 7.966 1.00 0.57 H new ATOM 0 HG2 MET A 56 2.173 2.479 5.438 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.780 2.025 5.969 1.00 0.85 H new ATOM 0 HE1 MET A 56 1.342 -0.810 4.279 1.00 1.28 H new ATOM 0 HE2 MET A 56 1.941 0.833 3.946 1.00 1.28 H new ATOM 0 HE3 MET A 56 3.091 -0.512 4.137 1.00 1.28 H new ATOM 901 N THR A 57 1.332 4.639 5.341 1.00 0.42 N ATOM 902 CA THR A 57 0.240 5.038 4.471 1.00 0.43 C ATOM 903 C THR A 57 0.146 4.089 3.280 1.00 0.41 C ATOM 904 O THR A 57 1.124 3.883 2.565 1.00 0.47 O ATOM 905 CB THR A 57 0.437 6.483 3.964 1.00 0.48 C ATOM 906 OG1 THR A 57 1.690 6.998 4.437 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.694 7.387 4.428 1.00 0.61 C ATOM 0 H THR A 57 2.186 4.380 4.847 1.00 0.42 H new ATOM 0 HA THR A 57 -0.684 4.994 5.047 1.00 0.43 H new ATOM 0 HB THR A 57 0.435 6.463 2.874 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.409 6.373 4.207 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.528 8.398 4.056 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.642 7.010 4.044 1.00 0.61 H new ATOM 0 HG23 THR A 57 -0.724 7.402 5.517 1.00 0.61 H new ATOM 915 N LYS A 58 -1.026 3.504 3.086 1.00 0.39 N ATOM 916 CA LYS A 58 -1.253 2.570 1.991 1.00 0.39 C ATOM 917 C LYS A 58 -2.265 3.165 1.013 1.00 0.37 C ATOM 918 O LYS A 58 -3.400 3.452 1.388 1.00 0.43 O ATOM 919 CB LYS A 58 -1.757 1.230 2.546 1.00 0.47 C ATOM 920 CG LYS A 58 -1.564 0.055 1.600 1.00 0.77 C ATOM 921 CD LYS A 58 -2.207 -1.215 2.142 1.00 0.84 C ATOM 922 CE LYS A 58 -1.248 -2.008 3.019 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.497 -3.037 2.249 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.842 3.661 3.678 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.317 2.393 1.461 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.239 1.018 3.482 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.817 1.322 2.782 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -1.995 0.295 0.628 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.499 -0.115 1.443 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -3.095 -0.955 2.718 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.538 -1.838 1.311 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.543 -1.325 3.492 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.807 -2.493 3.819 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.143 -3.551 2.888 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -1.167 -3.706 1.818 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 0.059 -2.574 1.502 1.00 0.70 H new ATOM 937 N TYR A 59 -1.851 3.358 -0.233 1.00 0.36 N ATOM 938 CA TYR A 59 -2.722 3.939 -1.247 1.00 0.39 C ATOM 939 C TYR A 59 -3.109 2.920 -2.316 1.00 0.37 C ATOM 940 O TYR A 59 -2.363 1.982 -2.606 1.00 0.36 O ATOM 941 CB TYR A 59 -2.036 5.136 -1.917 1.00 0.45 C ATOM 942 CG TYR A 59 -2.097 6.435 -1.137 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.844 6.557 0.031 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.403 7.553 -1.587 1.00 0.52 C ATOM 945 CE1 TYR A 59 -2.898 7.755 0.721 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.453 8.749 -0.902 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.200 8.846 0.252 1.00 0.62 C ATOM 948 OH TYR A 59 -2.250 10.038 0.935 1.00 0.71 O ATOM 0 H TYR A 59 -0.917 3.120 -0.566 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.630 4.267 -0.741 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -0.990 4.884 -2.091 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.492 5.296 -2.894 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.390 5.703 0.405 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.814 7.483 -2.490 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.485 7.834 1.624 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -0.909 9.607 -1.269 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.701 10.704 0.471 1.00 0.71 H new ATOM 958 N HIS A 60 -4.281 3.125 -2.898 1.00 0.39 N ATOM 959 CA HIS A 60 -4.800 2.258 -3.946 1.00 0.40 C ATOM 960 C HIS A 60 -4.613 2.924 -5.312 1.00 0.42 C ATOM 961 O HIS A 60 -4.969 4.085 -5.491 1.00 0.46 O ATOM 962 CB HIS A 60 -6.284 1.978 -3.689 1.00 0.44 C ATOM 963 CG HIS A 60 -6.849 0.840 -4.489 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.295 0.972 -5.784 1.00 0.49 N ATOM 965 CD2 HIS A 60 -7.060 -0.454 -4.155 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.757 -0.180 -6.212 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.629 -1.071 -5.245 1.00 0.57 N ATOM 0 H HIS A 60 -4.900 3.899 -2.657 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.254 1.314 -3.941 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.423 1.765 -2.629 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.855 2.880 -3.910 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.270 1.834 -6.329 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -6.825 -0.917 -3.208 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.172 -0.368 -7.191 1.00 0.51 H new ATOM 976 N VAL A 61 -4.052 2.189 -6.265 1.00 0.44 N ATOM 977 CA VAL A 61 -3.813 2.721 -7.609 1.00 0.48 C ATOM 978 C VAL A 61 -5.039 2.542 -8.509 1.00 0.49 C ATOM 979 O VAL A 61 -5.889 1.691 -8.240 1.00 0.51 O ATOM 980 CB VAL A 61 -2.599 2.040 -8.264 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.375 2.170 -7.378 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.886 0.576 -8.553 1.00 0.55 C ATOM 0 H VAL A 61 -3.753 1.222 -6.136 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.611 3.786 -7.498 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.402 2.542 -9.211 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.526 1.683 -7.857 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -1.148 3.225 -7.223 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.570 1.696 -6.416 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -2.012 0.118 -9.016 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.116 0.059 -7.621 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.737 0.499 -9.230 1.00 0.55 H new ATOM 992 N ASN A 62 -5.123 3.330 -9.584 1.00 0.54 N ATOM 993 CA ASN A 62 -6.258 3.246 -10.505 1.00 0.57 C ATOM 994 C ASN A 62 -5.881 2.601 -11.839 1.00 0.58 C ATOM 995 O ASN A 62 -6.735 2.428 -12.711 1.00 0.76 O ATOM 996 CB ASN A 62 -6.839 4.640 -10.766 1.00 0.67 C ATOM 997 CG ASN A 62 -7.883 5.037 -9.743 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.554 4.187 -9.168 1.00 0.77 O ATOM 999 ND2 ASN A 62 -8.027 6.332 -9.511 1.00 0.93 N ATOM 0 H ASN A 62 -4.424 4.028 -9.836 1.00 0.54 H new ATOM 0 HA ASN A 62 -7.004 2.613 -10.025 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -6.032 5.373 -10.759 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -7.283 4.664 -11.761 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.716 6.655 -8.832 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.448 7.007 -10.011 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.617 2.237 -12.006 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.175 1.627 -13.261 1.00 0.55 C ATOM 1008 C PHE A 63 -4.160 0.105 -13.169 1.00 0.54 C ATOM 1009 O PHE A 63 -3.640 -0.577 -14.053 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.793 2.155 -13.678 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.677 1.822 -12.727 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.941 0.657 -12.879 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -1.355 2.684 -11.697 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.092 0.355 -12.013 1.00 0.70 C ATOM 1015 CE2 PHE A 63 -0.324 2.389 -10.828 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.401 1.224 -10.985 1.00 0.74 C ATOM 0 H PHE A 63 -3.887 2.349 -11.303 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.896 1.909 -14.028 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.547 1.752 -14.660 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.850 3.238 -13.784 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.178 -0.023 -13.684 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.916 3.598 -11.570 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.656 -0.557 -12.139 1.00 0.70 H new ATOM 0 HE2 PHE A 63 -0.084 3.070 -10.025 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.208 0.993 -10.305 1.00 0.74 H new ATOM 1026 N MET A 64 -4.736 -0.427 -12.102 1.00 0.52 N ATOM 1027 CA MET A 64 -4.788 -1.866 -11.902 1.00 0.53 C ATOM 1028 C MET A 64 -6.148 -2.277 -11.363 1.00 0.55 C ATOM 1029 O MET A 64 -6.435 -2.107 -10.177 1.00 0.60 O ATOM 1030 CB MET A 64 -3.684 -2.329 -10.950 1.00 0.57 C ATOM 1031 CG MET A 64 -2.557 -3.074 -11.650 1.00 0.64 C ATOM 1032 SD MET A 64 -2.535 -4.839 -11.268 1.00 1.06 S ATOM 1033 CE MET A 64 -3.937 -5.424 -12.220 1.00 1.09 C ATOM 0 H MET A 64 -5.175 0.118 -11.360 1.00 0.52 H new ATOM 0 HA MET A 64 -4.630 -2.345 -12.868 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.271 -1.462 -10.435 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.119 -2.976 -10.188 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.656 -2.942 -12.727 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.603 -2.633 -11.361 1.00 0.64 H new ATOM 0 HE1 MET A 64 -4.047 -6.500 -12.082 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.842 -4.920 -11.882 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.775 -5.209 -13.276 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.979 -2.808 -12.247 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.309 -3.239 -11.861 1.00 0.64 C ATOM 1045 C GLY A 65 -9.341 -2.943 -12.930 1.00 0.66 C ATOM 1046 O GLY A 65 -10.543 -3.101 -12.707 1.00 0.78 O ATOM 0 H GLY A 65 -6.755 -2.949 -13.232 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.297 -4.310 -11.657 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.595 -2.741 -10.935 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.872 -2.502 -14.089 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.764 -2.196 -15.183 1.00 0.71 C ATOM 1052 C GLY A 66 -10.646 -0.995 -14.892 1.00 0.75 C ATOM 1053 O GLY A 66 -10.148 0.117 -14.702 1.00 0.81 O ATOM 0 H GLY A 66 -7.883 -2.351 -14.289 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.179 -2.004 -16.082 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.392 -3.063 -15.390 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.951 -1.228 -14.839 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.915 -0.168 -14.574 1.00 0.96 C ATOM 1059 C ASP A 67 -13.220 -0.067 -13.084 1.00 0.91 C ATOM 1060 O ASP A 67 -13.132 1.010 -12.492 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.206 -0.429 -15.348 1.00 1.19 C ATOM 1062 CG ASP A 67 -15.209 0.692 -15.181 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -16.000 0.655 -14.216 1.00 2.47 O1- ATOM 1064 OD2 ASP A 67 -15.218 1.611 -16.024 1.00 2.46 O ATOM 0 H ASP A 67 -12.368 -2.148 -14.977 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.480 0.776 -14.902 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -13.975 -0.553 -16.406 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.649 -1.365 -15.007 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.551 -1.206 -12.479 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.885 -1.267 -11.053 1.00 0.89 C ATOM 1071 C LEU A 68 -12.691 -0.873 -10.180 1.00 0.79 C ATOM 1072 O LEU A 68 -12.843 -0.594 -8.987 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.358 -2.678 -10.687 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.777 -2.863 -9.227 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.118 -2.200 -8.966 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.839 -4.338 -8.876 1.00 1.07 C ATOM 0 H LEU A 68 -13.596 -2.106 -12.956 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.687 -0.554 -10.865 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -15.201 -2.939 -11.327 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.557 -3.383 -10.911 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.029 -2.386 -8.593 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.398 -2.343 -7.922 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.044 -1.134 -9.179 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.876 -2.647 -9.609 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.138 -4.452 -7.834 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.566 -4.835 -9.519 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.857 -4.788 -9.023 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.507 -0.849 -10.783 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.304 -0.483 -10.058 1.00 0.65 C ATOM 1090 C GLY A 69 -10.405 0.890 -9.418 1.00 0.64 C ATOM 1091 O GLY A 69 -9.850 1.122 -8.344 1.00 0.63 O ATOM 0 H GLY A 69 -11.359 -1.078 -11.766 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.109 -1.227 -9.285 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.454 -0.501 -10.740 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.143 1.785 -10.064 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.315 3.144 -9.564 1.00 0.71 C ATOM 1097 C LYS A 70 -12.271 3.167 -8.378 1.00 0.73 C ATOM 1098 O LYS A 70 -12.060 3.899 -7.408 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.841 4.062 -10.675 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.936 4.140 -11.893 1.00 0.89 C ATOM 1101 CD LYS A 70 -11.384 5.236 -12.842 1.00 1.35 C ATOM 1102 CE LYS A 70 -10.466 5.330 -14.044 1.00 1.83 C ATOM 1103 NZ LYS A 70 -10.703 6.566 -14.827 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.633 1.593 -10.938 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.342 3.508 -9.235 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.824 3.710 -10.988 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -11.975 5.065 -10.270 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -9.910 4.328 -11.575 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.939 3.182 -12.413 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -12.403 5.039 -13.174 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -11.399 6.191 -12.317 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -9.428 5.305 -13.711 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -10.616 4.461 -14.684 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -10.055 6.592 -15.640 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -11.686 6.578 -15.167 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -10.535 7.397 -14.224 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.314 2.348 -8.454 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.317 2.274 -7.397 1.00 0.81 C ATOM 1119 C ASP A 71 -13.697 1.802 -6.087 1.00 0.75 C ATOM 1120 O ASP A 71 -14.001 2.338 -5.019 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.471 1.353 -7.807 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.389 2.004 -8.827 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -15.963 2.180 -9.988 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -17.541 2.343 -8.477 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.488 1.723 -9.241 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.715 3.277 -7.242 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -15.067 0.429 -8.221 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -16.048 1.080 -6.923 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.805 0.824 -6.167 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.153 0.307 -4.971 1.00 0.67 C ATOM 1131 C LEU A 72 -11.199 1.340 -4.370 1.00 0.61 C ATOM 1132 O LEU A 72 -10.943 1.322 -3.167 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.415 -0.998 -5.271 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.852 -2.199 -4.418 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.122 -3.463 -4.842 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.608 -1.931 -2.941 1.00 1.17 C ATOM 0 H LEU A 72 -12.518 0.376 -7.038 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.930 0.099 -4.235 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.559 -1.246 -6.323 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.347 -0.836 -5.125 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.921 -2.345 -4.576 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.450 -4.298 -4.222 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.344 -3.678 -5.887 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.048 -3.321 -4.721 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -11.925 -2.795 -2.357 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.546 -1.750 -2.775 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.178 -1.055 -2.631 1.00 1.17 H new ATOM 1148 N THR A 73 -10.677 2.237 -5.196 1.00 0.60 N ATOM 1149 CA THR A 73 -9.780 3.275 -4.709 1.00 0.57 C ATOM 1150 C THR A 73 -10.553 4.233 -3.802 1.00 0.62 C ATOM 1151 O THR A 73 -10.035 4.720 -2.793 1.00 0.62 O ATOM 1152 CB THR A 73 -9.148 4.054 -5.882 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.474 3.147 -6.762 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.165 5.105 -5.390 1.00 0.56 C ATOM 0 H THR A 73 -10.858 2.267 -6.199 1.00 0.60 H new ATOM 0 HA THR A 73 -8.976 2.803 -4.143 1.00 0.57 H new ATOM 0 HB THR A 73 -9.952 4.562 -6.415 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.486 3.506 -7.674 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.740 5.633 -6.243 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.684 5.815 -4.745 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.366 4.621 -4.828 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.811 4.467 -4.160 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.682 5.343 -3.395 1.00 0.73 C ATOM 1164 C GLN A 74 -13.100 4.650 -2.107 1.00 0.72 C ATOM 1165 O GLN A 74 -13.125 5.260 -1.036 1.00 0.74 O ATOM 1166 CB GLN A 74 -13.909 5.716 -4.225 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.780 6.786 -3.586 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.678 7.464 -4.601 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.333 7.565 -5.777 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.831 7.941 -4.159 1.00 1.21 N ATOM 0 H GLN A 74 -12.251 4.056 -4.984 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.145 6.258 -3.144 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.581 6.065 -5.204 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.510 4.822 -4.390 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.391 6.337 -2.803 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.146 7.532 -3.107 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -17.082 7.838 -3.176 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.468 8.412 -4.802 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.403 3.362 -2.222 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.804 2.559 -1.073 1.00 0.70 C ATOM 1181 C ALA A 75 -12.675 2.475 -0.052 1.00 0.64 C ATOM 1182 O ALA A 75 -12.912 2.569 1.156 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.204 1.162 -1.518 1.00 0.71 C ATOM 0 H ALA A 75 -13.378 2.850 -3.104 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.662 3.042 -0.604 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.501 0.574 -0.649 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.040 1.227 -2.215 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.359 0.681 -2.010 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.451 2.300 -0.546 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.272 2.205 0.310 1.00 0.54 C ATOM 1191 C TRP A 76 -10.085 3.486 1.118 1.00 0.56 C ATOM 1192 O TRP A 76 -9.686 3.447 2.284 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.027 1.919 -0.534 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.784 1.757 0.285 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.693 2.573 0.284 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.508 0.715 1.231 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.756 2.106 1.172 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.233 0.966 1.766 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.219 -0.406 1.677 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.652 0.139 2.725 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.640 -1.225 2.626 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.370 -0.949 3.141 1.00 0.46 C ATOM 0 H TRP A 76 -11.250 2.221 -1.543 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.419 1.381 1.008 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.191 1.013 -1.117 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.883 2.733 -1.245 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.582 3.457 -0.326 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.851 2.537 1.360 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.202 -0.626 1.286 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.671 0.349 3.125 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.178 -2.094 2.976 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -5.946 -1.609 3.883 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.393 4.619 0.494 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.275 5.911 1.154 1.00 0.65 C ATOM 1215 C ALA A 77 -11.228 5.982 2.341 1.00 0.69 C ATOM 1216 O ALA A 77 -10.880 6.513 3.399 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.555 7.037 0.169 1.00 0.70 C ATOM 0 H ALA A 77 -10.726 4.666 -0.469 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.256 6.027 1.522 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.463 7.997 0.678 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.838 6.990 -0.650 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.565 6.932 -0.227 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.424 5.425 2.164 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.425 5.405 3.225 1.00 0.75 C ATOM 1225 C VAL A 78 -12.940 4.538 4.380 1.00 0.71 C ATOM 1226 O VAL A 78 -13.086 4.898 5.550 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.789 4.866 2.734 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.854 5.045 3.806 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.213 5.551 1.443 1.00 0.84 C ATOM 0 H VAL A 78 -12.722 4.982 1.295 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.565 6.435 3.552 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.677 3.801 2.532 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.806 4.660 3.441 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.562 4.500 4.704 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.958 6.104 4.042 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.175 5.154 1.119 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.302 6.624 1.613 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.466 5.366 0.671 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.339 3.402 4.040 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.815 2.478 5.038 1.00 0.63 C ATOM 1241 C ALA A 79 -10.732 3.142 5.877 1.00 0.63 C ATOM 1242 O ALA A 79 -10.630 2.905 7.081 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.265 1.229 4.371 1.00 0.59 C ATOM 0 H ALA A 79 -12.203 3.099 3.076 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.636 2.193 5.696 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.878 0.551 5.132 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.060 0.734 3.814 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.461 1.505 3.688 1.00 0.59 H new ATOM 1249 N MET A 80 -9.934 3.979 5.229 1.00 0.63 N ATOM 1250 CA MET A 80 -8.857 4.694 5.899 1.00 0.66 C ATOM 1251 C MET A 80 -9.415 5.739 6.855 1.00 0.73 C ATOM 1252 O MET A 80 -8.853 5.971 7.921 1.00 0.79 O ATOM 1253 CB MET A 80 -7.946 5.376 4.878 1.00 0.65 C ATOM 1254 CG MET A 80 -6.993 4.425 4.174 1.00 1.08 C ATOM 1255 SD MET A 80 -5.631 5.285 3.363 1.00 1.04 S ATOM 1256 CE MET A 80 -6.488 6.096 2.017 1.00 1.02 C ATOM 0 H MET A 80 -10.013 4.181 4.232 1.00 0.63 H new ATOM 0 HA MET A 80 -8.278 3.966 6.467 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.563 5.876 4.131 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.366 6.149 5.382 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.591 3.717 4.898 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.544 3.845 3.434 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.772 6.654 1.414 1.00 1.02 H new ATOM 0 HE2 MET A 80 -6.980 5.348 1.396 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.234 6.780 2.421 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.518 6.370 6.463 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.145 7.396 7.288 1.00 0.84 C ATOM 1268 C ALA A 81 -11.865 6.791 8.490 1.00 0.87 C ATOM 1269 O ALA A 81 -11.897 7.388 9.569 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.115 8.215 6.457 1.00 0.89 C ATOM 0 H ALA A 81 -10.995 6.189 5.580 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.355 8.046 7.666 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.577 8.978 7.084 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.578 8.694 5.638 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.888 7.562 6.051 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.461 5.620 8.289 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.177 4.931 9.356 1.00 0.82 C ATOM 1278 C LEU A 82 -12.209 4.190 10.272 1.00 0.81 C ATOM 1279 O LEU A 82 -12.489 3.984 11.454 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.192 3.950 8.770 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.350 4.596 8.006 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -16.138 3.547 7.246 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.268 5.347 8.955 1.00 0.97 C ATOM 0 H LEU A 82 -12.462 5.128 7.395 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.705 5.681 9.945 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.670 3.268 8.099 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.602 3.348 9.581 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.929 5.305 7.293 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.957 4.025 6.709 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.483 3.044 6.535 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.541 2.816 7.947 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -17.084 5.798 8.391 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.676 4.654 9.691 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.704 6.128 9.465 1.00 0.97 H new ATOM 1295 N GLY A 83 -11.073 3.785 9.717 1.00 0.75 N ATOM 1296 CA GLY A 83 -10.076 3.081 10.495 1.00 0.74 C ATOM 1297 C GLY A 83 -10.285 1.581 10.496 1.00 0.72 C ATOM 1298 O GLY A 83 -9.919 0.899 11.450 1.00 0.78 O ATOM 0 H GLY A 83 -10.826 3.933 8.739 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -9.086 3.305 10.097 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -10.097 3.447 11.521 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.864 1.063 9.419 1.00 0.67 N ATOM 1303 CA VAL A 84 -11.124 -0.370 9.295 1.00 0.65 C ATOM 1304 C VAL A 84 -10.416 -0.931 8.074 1.00 0.59 C ATOM 1305 O VAL A 84 -10.820 -1.952 7.519 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.636 -0.676 9.191 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.303 -0.484 10.541 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.299 0.201 8.133 1.00 0.73 C ATOM 0 H VAL A 84 -11.164 1.615 8.615 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.740 -0.845 10.198 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.756 -1.716 8.887 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.367 -0.702 10.455 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.852 -1.158 11.269 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -13.169 0.547 10.870 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.362 -0.034 8.080 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -13.172 1.250 8.399 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.837 0.014 7.164 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.345 -0.259 7.678 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.568 -0.653 6.509 1.00 0.55 C ATOM 1320 C GLU A 85 -8.018 -2.069 6.656 1.00 0.53 C ATOM 1321 O GLU A 85 -8.229 -2.910 5.789 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.420 0.341 6.248 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.010 1.185 7.451 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.371 0.363 8.550 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -5.144 0.135 8.493 1.00 1.67 O1- ATOM 1326 OE2 GLU A 85 -7.103 -0.084 9.457 1.00 1.71 O ATOM 0 H GLU A 85 -8.990 0.570 8.154 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.241 -0.638 5.652 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.550 -0.216 5.901 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -7.715 1.009 5.439 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.312 1.957 7.127 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -7.888 1.695 7.848 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.342 -2.330 7.768 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.746 -3.640 8.035 1.00 0.62 C ATOM 1335 C ASP A 86 -7.816 -4.719 8.102 1.00 0.64 C ATOM 1336 O ASP A 86 -7.642 -5.830 7.597 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.987 -3.596 9.364 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.791 -4.524 9.399 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -4.987 -5.757 9.409 1.00 1.91 O ATOM 1340 OD2 ASP A 86 -3.645 -4.020 9.452 1.00 1.75 O1- ATOM 0 H ASP A 86 -7.190 -1.646 8.509 1.00 0.57 H new ATOM 0 HA ASP A 86 -6.061 -3.879 7.222 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -5.652 -2.575 9.550 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -6.668 -3.861 10.173 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.939 -4.369 8.709 1.00 0.59 N ATOM 1346 CA LYS A 87 -10.047 -5.298 8.876 1.00 0.63 C ATOM 1347 C LYS A 87 -10.662 -5.698 7.534 1.00 0.60 C ATOM 1348 O LYS A 87 -11.094 -6.835 7.363 1.00 0.67 O ATOM 1349 CB LYS A 87 -11.125 -4.685 9.773 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.583 -3.975 11.009 1.00 0.79 C ATOM 1351 CD LYS A 87 -9.951 -4.951 11.994 1.00 1.48 C ATOM 1352 CE LYS A 87 -10.962 -5.449 13.016 1.00 1.85 C ATOM 1353 NZ LYS A 87 -11.436 -4.358 13.907 1.00 2.28 N1+ ATOM 0 H LYS A 87 -9.108 -3.441 9.097 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.648 -6.197 9.346 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.708 -3.975 9.187 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.808 -5.473 10.091 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.843 -3.234 10.707 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.392 -3.435 11.501 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -9.535 -5.799 11.450 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -9.122 -4.464 12.508 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -11.814 -5.890 12.498 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -10.511 -6.238 13.617 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -11.761 -4.762 14.808 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -10.657 -3.693 14.087 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -12.223 -3.854 13.450 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.696 -4.770 6.584 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.286 -5.056 5.280 1.00 0.55 C ATOM 1369 C VAL A 88 -10.248 -5.506 4.251 1.00 0.50 C ATOM 1370 O VAL A 88 -10.611 -5.967 3.171 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.069 -3.843 4.718 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.158 -3.402 5.686 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.134 -2.683 4.404 1.00 0.56 C ATOM 0 H VAL A 88 -10.327 -3.825 6.689 1.00 0.56 H new ATOM 0 HA VAL A 88 -11.980 -5.879 5.451 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.543 -4.158 3.788 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.693 -2.549 5.268 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.856 -4.224 5.848 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.706 -3.117 6.636 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.712 -1.846 4.011 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.620 -2.374 5.314 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.400 -2.998 3.662 1.00 0.56 H new ATOM 1383 N THR A 89 -8.968 -5.397 4.591 1.00 0.48 N ATOM 1384 CA THR A 89 -7.895 -5.790 3.675 1.00 0.44 C ATOM 1385 C THR A 89 -8.032 -7.250 3.228 1.00 0.43 C ATOM 1386 O THR A 89 -7.979 -7.553 2.033 1.00 0.44 O ATOM 1387 CB THR A 89 -6.509 -5.582 4.318 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.317 -4.198 4.628 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.392 -6.050 3.393 1.00 0.79 C ATOM 0 H THR A 89 -8.645 -5.041 5.491 1.00 0.48 H new ATOM 0 HA THR A 89 -7.985 -5.149 2.798 1.00 0.44 H new ATOM 0 HB THR A 89 -6.473 -6.176 5.231 1.00 0.45 H new ATOM 0 HG1 THR A 89 -6.974 -3.919 5.299 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.428 -5.889 3.876 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.518 -7.111 3.178 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.430 -5.485 2.462 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.238 -8.147 4.187 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.360 -9.573 3.889 1.00 0.49 C ATOM 1399 C VAL A 90 -9.608 -9.890 3.052 1.00 0.50 C ATOM 1400 O VAL A 90 -9.476 -10.406 1.942 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.353 -10.430 5.178 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.519 -11.906 4.852 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.071 -10.203 5.963 1.00 0.57 C ATOM 0 H VAL A 90 -8.324 -7.914 5.176 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.484 -9.833 3.295 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.198 -10.120 5.793 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.511 -12.486 5.775 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.466 -12.060 4.335 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.699 -12.232 4.212 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.084 -10.814 6.866 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.214 -10.481 5.349 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -6.994 -9.151 6.238 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.834 -9.580 3.542 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.075 -9.872 2.799 1.00 0.57 C ATOM 1415 C PRO A 91 -12.095 -9.260 1.396 1.00 0.57 C ATOM 1416 O PRO A 91 -12.606 -9.869 0.459 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.183 -9.258 3.669 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.494 -8.360 4.631 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.126 -8.937 4.839 1.00 0.54 C ATOM 0 HA PRO A 91 -12.190 -10.943 2.634 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.896 -8.704 3.059 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.744 -10.033 4.191 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.432 -7.345 4.239 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.041 -8.306 5.573 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.395 -8.165 5.080 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.112 -9.656 5.658 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.530 -8.065 1.247 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.500 -7.406 -0.053 1.00 0.55 C ATOM 1429 C LEU A 92 -10.582 -8.150 -1.014 1.00 0.54 C ATOM 1430 O LEU A 92 -10.920 -8.349 -2.177 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.057 -5.950 0.086 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.114 -4.998 0.651 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.557 -3.590 0.776 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.352 -4.996 -0.228 1.00 0.79 C ATOM 0 H LEU A 92 -11.091 -7.539 2.002 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.511 -7.420 -0.461 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.178 -5.914 0.730 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.750 -5.585 -0.894 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.392 -5.349 1.645 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.325 -2.930 1.179 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.696 -3.597 1.445 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.250 -3.232 -0.207 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.093 -4.314 0.189 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -13.084 -4.671 -1.233 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.769 -6.002 -0.271 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.422 -8.569 -0.522 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.470 -9.307 -1.347 1.00 0.48 C ATOM 1448 C PHE A 93 -9.063 -10.650 -1.768 1.00 0.54 C ATOM 1449 O PHE A 93 -8.988 -11.045 -2.935 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.158 -9.537 -0.587 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.027 -8.655 -1.043 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.632 -8.649 -2.368 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.366 -7.830 -0.145 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.601 -7.837 -2.794 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.334 -7.015 -0.564 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.950 -7.018 -1.890 1.00 0.41 C ATOM 0 H PHE A 93 -9.118 -8.412 0.439 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.261 -8.713 -2.237 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.331 -9.369 0.476 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.861 -10.580 -0.701 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.136 -9.288 -3.078 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.662 -7.825 0.894 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.303 -7.841 -3.832 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.828 -6.376 0.144 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.142 -6.382 -2.221 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.669 -11.339 -0.809 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.280 -12.636 -1.059 1.00 0.62 C ATOM 1468 C GLU A 94 -11.465 -12.519 -2.016 1.00 0.66 C ATOM 1469 O GLU A 94 -11.568 -13.269 -2.987 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.750 -13.253 0.259 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.638 -13.477 1.270 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.943 -14.805 1.081 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -9.434 -15.815 1.623 1.00 1.46 O1- ATOM 1474 OE2 GLU A 94 -7.903 -14.850 0.397 1.00 1.70 O ATOM 0 H GLU A 94 -9.750 -11.017 0.155 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.528 -13.276 -1.521 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.505 -12.604 0.703 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.233 -14.207 0.049 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.907 -12.673 1.185 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -10.052 -13.427 2.277 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.335 -11.549 -1.755 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.521 -11.348 -2.572 1.00 0.71 C ATOM 1483 C GLY A 95 -13.229 -10.871 -3.985 1.00 0.73 C ATOM 1484 O GLY A 95 -14.132 -10.819 -4.820 1.00 0.82 O ATOM 0 H GLY A 95 -12.239 -10.890 -0.982 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.076 -12.285 -2.624 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.168 -10.621 -2.081 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.983 -10.515 -4.262 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.612 -10.040 -5.593 1.00 0.67 C ATOM 1490 C VAL A 96 -10.736 -11.055 -6.340 1.00 0.69 C ATOM 1491 O VAL A 96 -10.878 -11.228 -7.552 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.881 -8.673 -5.530 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.283 -8.300 -6.881 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.835 -7.582 -5.068 1.00 0.65 C ATOM 0 H VAL A 96 -11.215 -10.544 -3.591 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.545 -9.915 -6.143 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.067 -8.766 -4.811 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.778 -7.337 -6.802 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.565 -9.062 -7.184 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.077 -8.233 -7.625 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.307 -6.629 -5.029 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.668 -7.507 -5.767 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.215 -7.827 -4.076 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.851 -11.742 -5.620 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.950 -12.704 -6.256 1.00 0.68 C ATOM 1506 C GLN A 97 -9.355 -14.158 -6.018 1.00 0.75 C ATOM 1507 O GLN A 97 -9.271 -14.983 -6.928 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.520 -12.492 -5.760 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.922 -11.170 -6.199 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.486 -10.997 -5.750 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.730 -11.961 -5.639 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.105 -9.762 -5.486 1.00 0.55 N ATOM 0 H GLN A 97 -9.738 -11.654 -4.610 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.014 -12.522 -7.329 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.509 -12.544 -4.671 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.892 -13.305 -6.124 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -6.969 -11.098 -7.286 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.524 -10.354 -5.799 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.765 -8.991 -5.591 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.151 -9.578 -5.177 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.784 -14.476 -4.807 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.166 -15.845 -4.477 1.00 0.81 C ATOM 1523 C LYS A 98 -11.601 -16.141 -4.911 1.00 0.88 C ATOM 1524 O LYS A 98 -11.834 -16.925 -5.832 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.000 -16.099 -2.975 1.00 0.76 C ATOM 1526 CG LYS A 98 -10.074 -17.572 -2.587 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.596 -17.807 -1.163 1.00 1.03 C ATOM 1528 CE LYS A 98 -8.078 -17.732 -1.056 1.00 1.34 C ATOM 1529 NZ LYS A 98 -7.633 -17.615 0.357 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.877 -13.811 -4.039 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.505 -16.518 -5.023 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.040 -15.696 -2.652 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.773 -15.552 -2.436 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -11.101 -17.923 -2.688 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.467 -18.160 -3.276 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -10.044 -17.065 -0.502 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -9.937 -18.785 -0.822 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -7.637 -18.622 -1.504 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -7.715 -16.876 -1.624 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -7.329 -16.638 0.546 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.420 -17.861 0.990 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -6.837 -18.263 0.525 1.00 1.41 H new ATOM 1543 N THR A 99 -12.561 -15.507 -4.256 1.00 0.82 N ATOM 1544 CA THR A 99 -13.964 -15.717 -4.576 1.00 0.94 C ATOM 1545 C THR A 99 -14.356 -14.961 -5.838 1.00 0.98 C ATOM 1546 O THR A 99 -15.161 -15.445 -6.639 1.00 1.08 O ATOM 1547 CB THR A 99 -14.860 -15.276 -3.405 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.038 -14.874 -2.301 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.779 -16.408 -2.972 1.00 1.31 C ATOM 0 H THR A 99 -12.394 -14.843 -3.500 1.00 0.82 H new ATOM 0 HA THR A 99 -14.108 -16.783 -4.751 1.00 0.94 H new ATOM 0 HB THR A 99 -15.475 -14.438 -3.733 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.607 -14.591 -1.555 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.403 -16.073 -2.143 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.413 -16.702 -3.808 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.180 -17.261 -2.654 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.765 -13.778 -6.012 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.036 -12.931 -7.172 1.00 0.94 C ATOM 1559 C GLN A 100 -15.512 -12.542 -7.224 1.00 1.01 C ATOM 1560 O GLN A 100 -16.070 -12.322 -8.296 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.617 -13.639 -8.466 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.128 -13.951 -8.519 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.781 -15.041 -9.512 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.448 -15.206 -10.534 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -10.727 -15.788 -9.224 1.00 1.44 N ATOM 0 H GLN A 100 -13.090 -13.383 -5.357 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.447 -12.019 -7.074 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.181 -14.567 -8.565 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.882 -13.013 -9.318 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.583 -13.044 -8.780 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.791 -14.252 -7.527 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.201 -15.619 -8.367 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.441 -16.533 -9.859 1.00 1.44 H new ATOM 1574 N THR A 101 -16.129 -12.450 -6.053 1.00 1.00 N ATOM 1575 CA THR A 101 -17.531 -12.096 -5.945 1.00 1.08 C ATOM 1576 C THR A 101 -17.731 -10.592 -6.103 1.00 1.03 C ATOM 1577 O THR A 101 -18.784 -10.137 -6.550 1.00 1.12 O ATOM 1578 CB THR A 101 -18.083 -12.546 -4.586 1.00 1.14 C ATOM 1579 OG1 THR A 101 -17.009 -12.620 -3.638 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.761 -13.900 -4.697 1.00 1.57 C ATOM 0 H THR A 101 -15.671 -12.619 -5.157 1.00 1.00 H new ATOM 0 HA THR A 101 -18.069 -12.603 -6.746 1.00 1.08 H new ATOM 0 HB THR A 101 -18.823 -11.819 -4.253 1.00 1.14 H new ATOM 0 HG1 THR A 101 -16.521 -11.770 -3.630 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.144 -14.196 -3.720 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.586 -13.837 -5.406 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.040 -14.640 -5.044 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.717 -9.822 -5.728 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.780 -8.373 -5.842 1.00 0.88 C ATOM 1590 C ILE A 102 -16.618 -7.952 -7.300 1.00 0.87 C ATOM 1591 O ILE A 102 -15.508 -7.958 -7.839 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.696 -7.688 -4.974 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.890 -8.059 -3.501 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.742 -6.173 -5.146 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.745 -7.632 -2.601 1.00 0.79 C ATOM 0 H ILE A 102 -15.842 -10.178 -5.343 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.757 -8.054 -5.478 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.718 -8.040 -5.303 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.812 -7.603 -3.140 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -16.017 -9.139 -3.423 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.972 -5.713 -4.527 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.566 -5.920 -6.192 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.721 -5.802 -4.843 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.958 -7.931 -1.575 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.823 -8.109 -2.934 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.630 -6.549 -2.647 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.730 -7.614 -7.943 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.704 -7.208 -9.341 1.00 0.95 C ATOM 1609 C ARG A 103 -18.153 -5.764 -9.501 1.00 0.96 C ATOM 1610 O ARG A 103 -17.675 -5.049 -10.384 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.607 -8.109 -10.191 1.00 1.07 C ATOM 1612 CG ARG A 103 -18.293 -9.596 -10.098 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.803 -9.879 -10.228 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.167 -9.107 -11.298 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.846 -8.986 -11.432 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.034 -9.589 -10.572 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.335 -8.255 -12.414 1.00 3.22 N ATOM 0 H ARG A 103 -18.658 -7.613 -7.519 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.674 -7.303 -9.684 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.642 -7.951 -9.889 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.528 -7.800 -11.233 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -18.652 -9.982 -9.144 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.832 -10.129 -10.881 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.311 -9.652 -9.282 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -16.655 -10.942 -10.417 1.00 1.44 H new ATOM 0 HE ARG A 103 -16.766 -8.637 -11.976 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.421 -10.145 -9.809 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.023 -9.497 -10.674 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -14.954 -7.781 -13.072 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -13.323 -8.167 -12.511 1.00 3.22 H new ATOM 1631 N SER A 104 -19.071 -5.342 -8.648 1.00 0.97 N ATOM 1632 CA SER A 104 -19.598 -3.987 -8.702 1.00 1.01 C ATOM 1633 C SER A 104 -19.291 -3.240 -7.406 1.00 0.98 C ATOM 1634 O SER A 104 -18.851 -3.844 -6.426 1.00 0.94 O ATOM 1635 CB SER A 104 -21.110 -4.034 -8.936 1.00 1.13 C ATOM 1636 OG SER A 104 -21.765 -4.770 -7.908 1.00 1.51 O ATOM 0 H SER A 104 -19.468 -5.920 -7.907 1.00 0.97 H new ATOM 0 HA SER A 104 -19.121 -3.456 -9.526 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.507 -3.020 -8.971 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.317 -4.491 -9.904 1.00 1.13 H new ATOM 0 HG SER A 104 -21.269 -5.596 -7.730 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.528 -1.926 -7.398 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.290 -1.114 -6.209 1.00 1.02 C ATOM 1644 C ALA A 105 -20.251 -1.522 -5.102 1.00 1.05 C ATOM 1645 O ALA A 105 -19.945 -1.412 -3.912 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.443 0.361 -6.534 1.00 1.08 C ATOM 0 H ALA A 105 -19.883 -1.406 -8.200 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.269 -1.282 -5.865 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.262 0.952 -5.636 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.723 0.641 -7.304 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.453 0.551 -6.896 1.00 1.08 H new ATOM 1652 N SER A 106 -21.414 -2.013 -5.513 1.00 1.12 N ATOM 1653 CA SER A 106 -22.429 -2.472 -4.584 1.00 1.17 C ATOM 1654 C SER A 106 -21.897 -3.648 -3.764 1.00 1.09 C ATOM 1655 O SER A 106 -22.256 -3.830 -2.597 1.00 1.09 O ATOM 1656 CB SER A 106 -23.684 -2.885 -5.357 1.00 1.28 C ATOM 1657 OG SER A 106 -23.439 -2.874 -6.758 1.00 1.43 O ATOM 0 H SER A 106 -21.675 -2.102 -6.495 1.00 1.12 H new ATOM 0 HA SER A 106 -22.684 -1.662 -3.901 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.997 -3.881 -5.046 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.503 -2.205 -5.121 1.00 1.28 H new ATOM 0 HG SER A 106 -22.842 -3.615 -6.992 1.00 1.43 H new ATOM 1663 N ASP A 107 -21.019 -4.432 -4.384 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.420 -5.586 -3.725 1.00 0.99 C ATOM 1665 C ASP A 107 -19.424 -5.131 -2.671 1.00 0.91 C ATOM 1666 O ASP A 107 -19.303 -5.746 -1.612 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.718 -6.491 -4.736 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.668 -7.085 -5.750 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.699 -7.663 -5.345 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -20.389 -6.975 -6.963 1.00 1.89 O ATOM 0 H ASP A 107 -20.707 -4.287 -5.344 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.220 -6.152 -3.248 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.950 -5.919 -5.256 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.211 -7.296 -4.205 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.718 -4.046 -2.972 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.737 -3.490 -2.052 1.00 0.84 C ATOM 1677 C ILE A 108 -18.447 -2.901 -0.838 1.00 0.86 C ATOM 1678 O ILE A 108 -18.017 -3.081 0.303 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.884 -2.390 -2.716 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.431 -2.817 -4.116 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.677 -2.068 -1.850 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.701 -1.729 -4.871 1.00 0.90 C ATOM 0 H ILE A 108 -18.809 -3.534 -3.850 1.00 0.90 H new ATOM 0 HA ILE A 108 -17.074 -4.301 -1.751 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.499 -1.496 -2.815 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.781 -3.687 -4.029 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.303 -3.127 -4.693 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.082 -1.290 -2.329 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.013 -1.719 -0.874 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.069 -2.964 -1.725 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.410 -2.101 -5.853 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.356 -0.866 -4.989 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.810 -1.435 -4.315 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.551 -2.209 -1.107 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.364 -1.589 -0.062 1.00 0.94 C ATOM 1696 C ARG A 109 -20.825 -2.647 0.941 1.00 0.94 C ATOM 1697 O ARG A 109 -20.814 -2.421 2.152 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.574 -0.889 -0.702 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.622 -0.410 0.293 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.902 0.043 -0.405 1.00 1.12 C ATOM 1701 NE ARG A 109 -23.832 1.435 -0.863 1.00 1.24 N ATOM 1702 CZ ARG A 109 -23.545 1.810 -2.115 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -23.327 0.904 -3.061 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -23.500 3.098 -2.424 1.00 1.94 N ATOM 0 H ARG A 109 -19.907 -2.062 -2.051 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.767 -0.848 0.470 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.221 -0.034 -1.279 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.045 -1.575 -1.405 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.854 -1.214 0.992 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -22.216 0.415 0.879 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -24.096 -0.607 -1.258 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.744 -0.069 0.279 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.015 2.169 -0.179 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -23.378 -0.090 -2.837 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -23.109 1.202 -4.012 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -23.684 3.801 -1.708 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -23.281 3.386 -3.378 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.193 -3.812 0.417 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.665 -4.930 1.235 1.00 0.97 C ATOM 1720 C ASP A 110 -20.593 -5.409 2.210 1.00 0.92 C ATOM 1721 O ASP A 110 -20.893 -5.762 3.354 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.094 -6.093 0.336 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.392 -7.354 1.120 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.475 -7.435 1.729 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -21.541 -8.269 1.129 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.174 -4.010 -0.583 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.517 -4.576 1.815 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.980 -5.803 -0.230 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.306 -6.297 -0.389 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.344 -5.416 1.759 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.232 -5.858 2.595 1.00 0.84 C ATOM 1732 C VAL A 111 -18.117 -4.991 3.848 1.00 0.84 C ATOM 1733 O VAL A 111 -17.960 -5.503 4.961 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.897 -5.826 1.819 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.718 -6.109 2.742 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.924 -6.824 0.672 1.00 0.86 C ATOM 0 H VAL A 111 -19.075 -5.121 0.820 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.437 -6.887 2.890 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.771 -4.824 1.408 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.792 -6.080 2.168 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.682 -5.355 3.528 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.836 -7.095 3.191 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -15.976 -6.788 0.136 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.080 -7.828 1.067 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.736 -6.572 -0.010 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.221 -3.678 3.662 1.00 0.84 N ATOM 1747 CA PHE A 112 -18.130 -2.738 4.773 1.00 0.85 C ATOM 1748 C PHE A 112 -19.287 -2.933 5.745 1.00 0.89 C ATOM 1749 O PHE A 112 -19.101 -2.890 6.963 1.00 0.92 O ATOM 1750 CB PHE A 112 -18.099 -1.301 4.259 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.773 -0.918 3.657 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.432 -1.317 2.374 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.868 -0.153 4.378 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.218 -0.962 1.821 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.651 0.205 3.830 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.327 -0.200 2.549 1.00 0.79 C ATOM 0 H PHE A 112 -18.368 -3.242 2.752 1.00 0.84 H new ATOM 0 HA PHE A 112 -17.200 -2.934 5.307 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.882 -1.172 3.511 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.328 -0.622 5.081 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -17.125 -1.913 1.799 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.117 0.166 5.379 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.966 -1.280 0.820 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -13.954 0.800 4.402 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.377 0.080 2.118 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.473 -3.173 5.201 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.659 -3.396 6.021 1.00 0.97 C ATOM 1768 C ILE A 113 -21.495 -4.663 6.861 1.00 0.99 C ATOM 1769 O ILE A 113 -21.888 -4.709 8.027 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.932 -3.509 5.150 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -23.172 -2.207 4.378 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -24.147 -3.850 6.007 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.346 -2.268 3.417 1.00 1.33 C ATOM 0 H ILE A 113 -20.640 -3.218 4.196 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.770 -2.536 6.682 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.782 -4.316 4.433 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.340 -1.400 5.091 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.270 -1.956 3.819 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -25.030 -3.924 5.373 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.981 -4.802 6.511 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -24.299 -3.068 6.751 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.451 -1.309 2.909 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.172 -3.052 2.680 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.259 -2.487 3.971 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.884 -5.679 6.263 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.658 -6.952 6.941 1.00 1.00 C ATOM 1787 C ASN A 114 -19.601 -6.810 8.031 1.00 0.99 C ATOM 1788 O ASN A 114 -19.641 -7.505 9.048 1.00 1.02 O ATOM 1789 CB ASN A 114 -20.234 -8.016 5.927 1.00 1.01 C ATOM 1790 CG ASN A 114 -21.413 -8.771 5.350 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -21.779 -9.840 5.837 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -22.015 -8.227 4.307 1.00 1.93 N ATOM 0 H ASN A 114 -20.534 -5.646 5.305 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.591 -7.260 7.413 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -19.680 -7.541 5.117 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.555 -8.721 6.407 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -22.813 -8.695 3.877 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -21.682 -7.339 3.932 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.652 -5.906 7.812 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.588 -5.663 8.778 1.00 0.97 C ATOM 1801 C ALA A 115 -18.142 -5.006 10.036 1.00 1.01 C ATOM 1802 O ALA A 115 -17.637 -5.221 11.140 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.500 -4.797 8.160 1.00 0.94 C ATOM 0 H ALA A 115 -18.598 -5.329 6.973 1.00 0.97 H new ATOM 0 HA ALA A 115 -17.152 -6.622 9.058 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.712 -4.624 8.893 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -16.081 -5.304 7.291 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.926 -3.842 7.853 1.00 0.94 H new ATOM 1809 N GLY A 116 -19.192 -4.216 9.863 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.802 -3.539 10.987 1.00 1.05 C ATOM 1811 C GLY A 116 -20.131 -2.094 10.690 1.00 1.06 C ATOM 1812 O GLY A 116 -20.661 -1.384 11.545 1.00 1.15 O ATOM 0 H GLY A 116 -19.633 -4.032 8.962 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.714 -4.064 11.270 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -19.128 -3.585 11.843 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.824 -1.648 9.483 1.00 1.01 N ATOM 1817 CA ILE A 117 -20.098 -0.274 9.092 1.00 1.02 C ATOM 1818 C ILE A 117 -21.522 -0.156 8.563 1.00 1.04 C ATOM 1819 O ILE A 117 -21.925 -0.911 7.681 1.00 1.06 O ATOM 1820 CB ILE A 117 -19.112 0.212 8.007 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.659 0.005 8.461 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.367 1.674 7.664 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.306 0.708 9.755 1.00 1.61 C ATOM 0 H ILE A 117 -19.386 -2.216 8.758 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.976 0.352 9.976 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.275 -0.382 7.108 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.476 -1.063 8.579 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.991 0.358 7.675 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.662 1.996 6.898 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.385 1.788 7.291 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -19.237 2.285 8.557 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.263 0.510 10.004 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.454 1.782 9.638 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.946 0.339 10.556 1.00 1.61 H new ATOM 1835 N LYS A 118 -22.286 0.779 9.107 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.658 0.975 8.671 1.00 1.12 C ATOM 1837 C LYS A 118 -23.686 1.525 7.250 1.00 1.11 C ATOM 1838 O LYS A 118 -22.875 2.384 6.891 1.00 1.07 O ATOM 1839 CB LYS A 118 -24.398 1.922 9.622 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.545 1.365 11.024 1.00 1.29 C ATOM 1841 CD LYS A 118 -25.344 2.294 11.919 1.00 1.83 C ATOM 1842 CE LYS A 118 -25.376 1.787 13.349 1.00 1.95 C ATOM 1843 NZ LYS A 118 -24.007 1.600 13.898 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.980 1.411 9.847 1.00 1.08 H new ATOM 0 HA LYS A 118 -24.165 0.010 8.685 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.863 2.871 9.669 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -25.387 2.134 9.216 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -25.036 0.393 10.979 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -23.558 1.204 11.456 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -24.907 3.292 11.894 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -26.362 2.383 11.539 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -25.925 2.493 13.973 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -25.916 0.841 13.387 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -24.051 1.570 14.937 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -23.609 0.707 13.542 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -23.402 2.392 13.599 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.615 1.018 6.450 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.739 1.452 5.074 1.00 1.19 C ATOM 1859 C GLY A 119 -24.899 2.953 4.952 1.00 1.19 C ATOM 1860 O GLY A 119 -24.266 3.580 4.109 1.00 1.19 O ATOM 0 H GLY A 119 -25.290 0.308 6.734 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.857 1.137 4.516 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.598 0.960 4.617 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.732 3.529 5.808 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.967 4.967 5.800 1.00 1.27 C ATOM 1866 C GLU A 120 -24.672 5.732 6.058 1.00 1.20 C ATOM 1867 O GLU A 120 -24.355 6.685 5.350 1.00 1.22 O ATOM 1868 CB GLU A 120 -27.008 5.331 6.855 1.00 1.35 C ATOM 1869 CG GLU A 120 -27.304 6.816 6.944 1.00 1.80 C ATOM 1870 CD GLU A 120 -28.266 7.138 8.064 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -27.807 7.370 9.202 1.00 2.98 O ATOM 1872 OE2 GLU A 120 -29.489 7.149 7.815 1.00 2.88 O1- ATOM 0 H GLU A 120 -26.258 3.021 6.519 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.340 5.248 4.815 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -27.934 4.799 6.636 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -26.662 4.981 7.828 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -26.373 7.362 7.098 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -27.722 7.159 5.998 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.926 5.298 7.070 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.665 5.933 7.421 1.00 1.12 C ATOM 1881 C GLU A 121 -21.672 5.805 6.269 1.00 1.07 C ATOM 1882 O GLU A 121 -21.008 6.774 5.888 1.00 1.07 O ATOM 1883 CB GLU A 121 -22.089 5.289 8.684 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.777 5.907 9.138 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.967 7.184 9.935 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -21.244 8.240 9.328 1.00 2.52 O1- ATOM 1887 OE2 GLU A 121 -20.834 7.140 11.177 1.00 1.97 O ATOM 0 H GLU A 121 -24.177 4.506 7.662 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.845 6.991 7.613 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.818 5.373 9.490 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.936 4.225 8.502 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -20.232 5.184 9.745 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.160 6.119 8.265 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.592 4.606 5.711 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.689 4.338 4.603 1.00 1.01 C ATOM 1896 C TYR A 122 -21.071 5.163 3.379 1.00 1.05 C ATOM 1897 O TYR A 122 -20.221 5.816 2.778 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.692 2.850 4.250 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.737 2.496 3.129 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.362 2.520 3.330 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.209 2.143 1.871 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.487 2.200 2.312 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.338 1.822 0.848 1.00 1.28 C ATOM 1904 CZ TYR A 122 -17.979 1.853 1.075 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.110 1.526 0.060 1.00 0.95 O ATOM 0 H TYR A 122 -22.144 3.801 6.009 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.684 4.623 4.916 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.429 2.273 5.137 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.701 2.554 3.965 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.972 2.794 4.299 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.273 2.119 1.690 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.421 2.222 2.486 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.720 1.548 -0.124 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.146 2.215 -0.636 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.353 5.147 3.031 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.840 5.884 1.872 1.00 1.18 C ATOM 1917 C ASP A 123 -22.626 7.382 2.051 1.00 1.18 C ATOM 1918 O ASP A 123 -22.336 8.097 1.089 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.317 5.584 1.612 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.511 4.589 0.486 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.206 4.934 -0.675 1.00 2.30 O1- ATOM 1922 OD2 ASP A 123 -24.968 3.454 0.750 1.00 2.25 O ATOM 0 H ASP A 123 -23.074 4.631 3.536 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.267 5.556 1.005 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.772 5.193 2.522 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.837 6.511 1.369 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.763 7.855 3.283 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.556 9.267 3.579 1.00 1.20 C ATOM 1929 C ALA A 124 -21.103 9.646 3.318 1.00 1.17 C ATOM 1930 O ALA A 124 -20.811 10.725 2.797 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.941 9.574 5.016 1.00 1.21 C ATOM 0 H ALA A 124 -23.015 7.285 4.090 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.195 9.860 2.924 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.779 10.633 5.218 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.992 9.331 5.171 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.328 8.978 5.692 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.199 8.737 3.667 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.773 8.951 3.464 1.00 1.06 C ATOM 1939 C ALA A 125 -18.422 8.775 1.990 1.00 1.08 C ATOM 1940 O ALA A 125 -17.544 9.454 1.463 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.965 7.996 4.333 1.00 1.02 C ATOM 0 H ALA A 125 -20.432 7.840 4.094 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.522 9.970 3.758 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.901 8.168 4.170 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -18.204 8.168 5.382 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.211 6.967 4.069 1.00 1.02 H new ATOM 1947 N TRP A 126 -19.137 7.870 1.330 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.938 7.595 -0.092 1.00 1.10 C ATOM 1949 C TRP A 126 -19.190 8.856 -0.912 1.00 1.21 C ATOM 1950 O TRP A 126 -18.569 9.082 -1.952 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.897 6.481 -0.529 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.734 6.033 -1.953 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.501 6.405 -3.022 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.755 5.119 -2.459 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -20.060 5.775 -4.160 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.987 4.984 -3.842 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.702 4.400 -1.880 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.206 4.164 -4.650 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.928 3.586 -2.687 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.184 3.474 -4.059 1.00 0.96 C ATOM 0 H TRP A 126 -19.869 7.307 1.763 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.909 7.275 -0.259 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.756 5.621 0.126 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.921 6.826 -0.386 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.332 7.093 -2.978 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.465 5.879 -5.090 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.498 4.480 -0.822 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.400 4.075 -5.709 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.113 3.027 -2.252 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.562 2.830 -4.663 1.00 0.96 H new ATOM 1971 N ASN A 127 -20.097 9.684 -0.416 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.455 10.923 -1.088 1.00 1.39 C ATOM 1973 C ASN A 127 -19.833 12.124 -0.383 1.00 1.41 C ATOM 1974 O ASN A 127 -20.297 13.250 -0.546 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.979 11.088 -1.130 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.667 10.082 -2.036 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.837 10.323 -3.230 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -23.078 8.954 -1.475 1.00 1.49 N ATOM 0 H ASN A 127 -20.601 9.518 0.455 1.00 1.27 H new ATOM 0 HA ASN A 127 -20.069 10.874 -2.106 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.376 10.988 -0.120 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -22.219 12.096 -1.469 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.554 8.249 -2.037 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.918 8.791 -0.481 1.00 1.49 H new ATOM 1985 N SER A 128 -18.785 11.886 0.393 1.00 1.34 N ATOM 1986 CA SER A 128 -18.120 12.957 1.122 1.00 1.37 C ATOM 1987 C SER A 128 -16.938 13.519 0.342 1.00 1.36 C ATOM 1988 O SER A 128 -16.232 12.789 -0.356 1.00 1.34 O ATOM 1989 CB SER A 128 -17.645 12.458 2.487 1.00 1.32 C ATOM 1990 OG SER A 128 -18.737 12.286 3.374 1.00 2.04 O ATOM 0 H SER A 128 -18.377 10.962 0.534 1.00 1.34 H new ATOM 0 HA SER A 128 -18.847 13.757 1.260 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.116 11.512 2.368 1.00 1.32 H new ATOM 0 HB3 SER A 128 -16.936 13.169 2.911 1.00 1.32 H new ATOM 0 HG SER A 128 -19.454 11.796 2.919 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.733 14.822 0.477 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.643 15.520 -0.190 1.00 1.43 C ATOM 1998 C PHE A 129 -14.297 15.046 0.343 1.00 1.32 C ATOM 1999 O PHE A 129 -13.324 14.948 -0.406 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.786 17.031 0.013 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.742 17.835 -0.702 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -14.624 17.772 -2.078 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.880 18.654 0.006 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -13.664 18.511 -2.739 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.917 19.396 -0.649 1.00 3.66 C ATOM 2006 CZ PHE A 129 -12.810 19.324 -2.023 1.00 3.82 C ATOM 0 H PHE A 129 -17.319 15.426 1.053 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.690 15.298 -1.256 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.772 17.344 -0.331 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.736 17.252 1.079 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -15.291 17.137 -2.642 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.961 18.713 1.081 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -13.582 18.453 -3.814 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -12.249 20.032 -0.087 1.00 3.66 H new ATOM 0 HZ PHE A 129 -12.058 19.904 -2.537 1.00 3.82 H new ATOM 2016 N VAL A 130 -14.255 14.748 1.639 1.00 1.34 N ATOM 2017 CA VAL A 130 -13.033 14.272 2.284 1.00 1.27 C ATOM 2018 C VAL A 130 -12.466 13.059 1.545 1.00 1.13 C ATOM 2019 O VAL A 130 -11.274 12.996 1.246 1.00 1.06 O ATOM 2020 CB VAL A 130 -13.297 13.886 3.755 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -12.026 13.390 4.423 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.887 15.054 4.527 1.00 1.53 C ATOM 0 H VAL A 130 -15.056 14.828 2.266 1.00 1.34 H new ATOM 0 HA VAL A 130 -12.310 15.087 2.252 1.00 1.27 H new ATOM 0 HB VAL A 130 -14.024 13.074 3.761 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -12.239 13.125 5.459 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.655 12.513 3.893 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -11.271 14.176 4.398 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -14.063 14.755 5.560 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -13.191 15.893 4.506 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.830 15.353 4.070 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.344 12.115 1.231 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.958 10.900 0.527 1.00 1.01 C ATOM 2034 C VAL A 131 -12.524 11.217 -0.903 1.00 0.96 C ATOM 2035 O VAL A 131 -11.538 10.673 -1.396 1.00 0.90 O ATOM 2036 CB VAL A 131 -14.115 9.874 0.519 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.791 8.684 -0.374 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.421 9.411 1.936 1.00 1.08 C ATOM 0 H VAL A 131 -14.337 12.169 1.456 1.00 1.11 H new ATOM 0 HA VAL A 131 -12.113 10.461 1.058 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.999 10.365 0.112 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.623 7.980 -0.359 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.626 9.029 -1.395 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.891 8.189 -0.009 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.237 8.689 1.915 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.535 8.944 2.365 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.710 10.268 2.544 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.248 12.124 -1.551 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.945 12.519 -2.924 1.00 1.01 C ATOM 2050 C LYS A 132 -11.520 13.058 -3.040 1.00 0.96 C ATOM 2051 O LYS A 132 -10.771 12.679 -3.945 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.951 13.569 -3.399 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.270 12.974 -3.871 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.434 13.933 -3.667 1.00 1.44 C ATOM 2055 CE LYS A 132 -16.233 15.247 -4.410 1.00 1.93 C ATOM 2056 NZ LYS A 132 -16.164 15.056 -5.882 1.00 2.43 N1+ ATOM 0 H LYS A 132 -14.053 12.602 -1.146 1.00 1.02 H new ATOM 0 HA LYS A 132 -13.023 11.637 -3.559 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -14.147 14.268 -2.586 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.508 14.143 -4.213 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.194 12.716 -4.927 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.464 12.048 -3.330 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -17.355 13.461 -4.009 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -16.555 14.134 -2.603 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.052 15.926 -4.172 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -15.315 15.721 -4.064 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -16.129 15.984 -6.351 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -15.309 14.514 -6.122 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.005 14.537 -6.204 1.00 2.43 H new ATOM 2070 N SER A 133 -11.146 13.933 -2.116 1.00 0.99 N ATOM 2071 CA SER A 133 -9.811 14.514 -2.109 1.00 0.96 C ATOM 2072 C SER A 133 -8.758 13.443 -1.821 1.00 0.88 C ATOM 2073 O SER A 133 -7.620 13.535 -2.287 1.00 0.86 O ATOM 2074 CB SER A 133 -9.721 15.635 -1.069 1.00 1.04 C ATOM 2075 OG SER A 133 -10.763 16.581 -1.242 1.00 1.47 O ATOM 0 H SER A 133 -11.750 14.256 -1.360 1.00 0.99 H new ATOM 0 HA SER A 133 -9.617 14.934 -3.096 1.00 0.96 H new ATOM 0 HB2 SER A 133 -9.775 15.210 -0.067 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.756 16.134 -1.152 1.00 1.04 H new ATOM 0 HG SER A 133 -11.614 16.185 -0.961 1.00 1.47 H new ATOM 2081 N LEU A 134 -9.140 12.423 -1.059 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.224 11.338 -0.727 1.00 0.79 C ATOM 2083 C LEU A 134 -7.913 10.523 -1.976 1.00 0.72 C ATOM 2084 O LEU A 134 -6.769 10.131 -2.204 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.812 10.435 0.361 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.919 11.067 1.750 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.619 10.119 2.716 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -7.539 11.447 2.271 1.00 0.93 C ATOM 0 H LEU A 134 -10.074 12.325 -0.661 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.301 11.773 -0.342 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.806 10.117 0.047 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -8.199 9.537 0.435 1.00 0.80 H new ATOM 0 HG LEU A 134 -9.516 11.975 1.671 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -9.686 10.585 3.699 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.622 9.900 2.349 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -9.051 9.192 2.792 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -7.634 11.895 3.260 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.916 10.555 2.335 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -7.078 12.163 1.591 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.940 10.288 -2.790 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.786 9.536 -4.029 1.00 0.69 C ATOM 2102 C VAL A 135 -7.829 10.261 -4.970 1.00 0.68 C ATOM 2103 O VAL A 135 -6.935 9.649 -5.561 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.142 9.322 -4.738 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -9.965 8.534 -6.030 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.117 8.615 -3.812 1.00 0.80 C ATOM 0 H VAL A 135 -9.891 10.610 -2.611 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.378 8.559 -3.770 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.550 10.300 -4.993 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -10.935 8.398 -6.509 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.302 9.080 -6.701 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.531 7.560 -5.805 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.068 8.471 -4.326 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.709 7.646 -3.526 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.275 9.220 -2.919 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.005 11.571 -5.073 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.163 12.394 -5.929 1.00 0.75 C ATOM 2118 C ALA A 136 -5.703 12.331 -5.486 1.00 0.70 C ATOM 2119 O ALA A 136 -4.801 12.211 -6.313 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.656 13.834 -5.928 1.00 0.85 C ATOM 0 H ALA A 136 -8.727 12.088 -4.572 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.225 12.002 -6.944 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.017 14.438 -6.572 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.681 13.868 -6.298 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.624 14.229 -4.913 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.484 12.396 -4.174 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.139 12.346 -3.605 1.00 0.71 C ATOM 2128 C GLN A 137 -3.483 10.984 -3.827 1.00 0.63 C ATOM 2129 O GLN A 137 -2.274 10.903 -4.037 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.185 12.662 -2.108 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.407 14.135 -1.812 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.624 14.411 -0.338 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.678 14.650 0.412 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.876 14.382 0.086 1.00 1.39 N ATOM 0 H GLN A 137 -6.227 12.484 -3.481 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.537 13.097 -4.117 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.983 12.081 -1.645 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.250 12.343 -1.647 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.546 14.705 -2.161 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.272 14.488 -2.374 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -6.632 14.180 -0.569 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -6.086 14.562 1.068 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.288 9.923 -3.786 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.786 8.562 -3.978 1.00 0.52 C ATOM 2145 C GLN A 138 -3.109 8.415 -5.337 1.00 0.55 C ATOM 2146 O GLN A 138 -1.958 7.983 -5.427 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.923 7.542 -3.844 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.377 7.322 -2.410 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.439 6.248 -2.291 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.131 5.065 -2.164 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.697 6.656 -2.312 1.00 0.61 N ATOM 0 H GLN A 138 -5.293 9.980 -3.621 1.00 0.58 H new ATOM 0 HA GLN A 138 -3.046 8.367 -3.202 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.773 7.878 -4.438 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.597 6.590 -4.263 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.517 7.046 -1.799 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.766 8.258 -2.009 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.910 7.648 -2.419 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.454 5.979 -2.221 1.00 0.61 H new ATOM 2160 N GLU A 139 -3.824 8.790 -6.390 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.288 8.702 -7.742 1.00 0.67 C ATOM 2162 C GLU A 139 -2.219 9.768 -7.977 1.00 0.64 C ATOM 2163 O GLU A 139 -1.219 9.516 -8.650 1.00 0.66 O ATOM 2164 CB GLU A 139 -4.413 8.841 -8.768 1.00 0.78 C ATOM 2165 CG GLU A 139 -4.849 7.516 -9.382 1.00 1.18 C ATOM 2166 CD GLU A 139 -3.858 6.974 -10.400 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -3.218 7.783 -11.113 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -3.726 5.732 -10.501 1.00 2.82 O ATOM 0 H GLU A 139 -4.774 9.157 -6.334 1.00 0.60 H new ATOM 0 HA GLU A 139 -2.822 7.724 -7.861 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.273 9.310 -8.290 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -4.086 9.510 -9.564 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -4.983 6.781 -8.588 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -5.819 7.647 -9.862 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.421 10.953 -7.400 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.471 12.051 -7.556 1.00 0.65 C ATOM 2177 C LYS A 140 -0.089 11.649 -7.058 1.00 0.63 C ATOM 2178 O LYS A 140 0.920 11.920 -7.712 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.951 13.290 -6.799 1.00 0.71 C ATOM 2180 CG LYS A 140 -0.932 14.419 -6.774 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.472 15.657 -6.075 1.00 1.16 C ATOM 2182 CE LYS A 140 -2.438 16.420 -6.968 1.00 1.57 C ATOM 2183 NZ LYS A 140 -2.820 17.734 -6.394 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.232 11.175 -6.822 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.406 12.286 -8.618 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.871 13.652 -7.257 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -2.194 13.008 -5.775 1.00 0.71 H new ATOM 0 HG2 LYS A 140 -0.028 14.081 -6.267 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -0.648 14.674 -7.795 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -1.978 15.366 -5.154 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.644 16.307 -5.792 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -1.981 16.573 -7.946 1.00 1.57 H new ATOM 0 HE3 LYS A 140 -3.335 15.820 -7.125 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 -3.479 18.216 -7.038 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 -3.280 17.590 -5.473 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 -1.969 18.319 -6.268 1.00 1.95 H new ATOM 2197 N ALA A 141 -0.055 10.996 -5.903 1.00 0.62 N ATOM 2198 CA ALA A 141 1.199 10.547 -5.313 1.00 0.62 C ATOM 2199 C ALA A 141 1.905 9.559 -6.232 1.00 0.58 C ATOM 2200 O ALA A 141 3.107 9.663 -6.464 1.00 0.60 O ATOM 2201 CB ALA A 141 0.956 9.920 -3.948 1.00 0.65 C ATOM 0 H ALA A 141 -0.884 10.765 -5.355 1.00 0.62 H new ATOM 0 HA ALA A 141 1.843 11.417 -5.184 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.905 9.591 -3.524 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.499 10.655 -3.286 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.290 9.064 -4.054 1.00 0.65 H new ATOM 2207 N ALA A 142 1.140 8.616 -6.771 1.00 0.56 N ATOM 2208 CA ALA A 142 1.684 7.604 -7.667 1.00 0.54 C ATOM 2209 C ALA A 142 2.240 8.231 -8.941 1.00 0.57 C ATOM 2210 O ALA A 142 3.273 7.801 -9.459 1.00 0.61 O ATOM 2211 CB ALA A 142 0.612 6.581 -8.009 1.00 0.53 C ATOM 0 H ALA A 142 0.138 8.532 -6.602 1.00 0.56 H new ATOM 0 HA ALA A 142 2.506 7.105 -7.154 1.00 0.54 H new ATOM 0 HB1 ALA A 142 1.028 5.829 -8.679 1.00 0.53 H new ATOM 0 HB2 ALA A 142 0.263 6.100 -7.095 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.224 7.080 -8.498 1.00 0.53 H new ATOM 2217 N ALA A 143 1.551 9.252 -9.437 1.00 0.58 N ATOM 2218 CA ALA A 143 1.966 9.941 -10.652 1.00 0.63 C ATOM 2219 C ALA A 143 3.192 10.815 -10.401 1.00 0.66 C ATOM 2220 O ALA A 143 3.971 11.086 -11.315 1.00 0.72 O ATOM 2221 CB ALA A 143 0.821 10.783 -11.188 1.00 0.69 C ATOM 0 H ALA A 143 0.699 9.622 -9.014 1.00 0.58 H new ATOM 0 HA ALA A 143 2.237 9.189 -11.394 1.00 0.63 H new ATOM 0 HB1 ALA A 143 1.140 11.295 -12.096 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.029 10.139 -11.413 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.530 11.520 -10.440 1.00 0.69 H new ATOM 2227 N ASP A 144 3.363 11.243 -9.158 1.00 0.67 N ATOM 2228 CA ASP A 144 4.489 12.097 -8.789 1.00 0.71 C ATOM 2229 C ASP A 144 5.759 11.278 -8.579 1.00 0.72 C ATOM 2230 O ASP A 144 6.854 11.728 -8.914 1.00 0.79 O ATOM 2231 CB ASP A 144 4.165 12.898 -7.524 1.00 0.73 C ATOM 2232 CG ASP A 144 4.464 14.376 -7.684 1.00 0.85 C ATOM 2233 OD1 ASP A 144 3.689 15.077 -8.380 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 5.472 14.851 -7.122 1.00 1.39 O ATOM 0 H ASP A 144 2.737 11.014 -8.386 1.00 0.67 H new ATOM 0 HA ASP A 144 4.663 12.790 -9.612 1.00 0.71 H new ATOM 0 HB2 ASP A 144 3.112 12.768 -7.275 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.742 12.502 -6.688 1.00 0.73 H new ATOM 2239 N VAL A 145 5.613 10.072 -8.027 1.00 0.68 N ATOM 2240 CA VAL A 145 6.760 9.197 -7.784 1.00 0.70 C ATOM 2241 C VAL A 145 7.047 8.308 -8.991 1.00 0.70 C ATOM 2242 O VAL A 145 7.948 7.466 -8.948 1.00 0.75 O ATOM 2243 CB VAL A 145 6.550 8.295 -6.542 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.482 9.127 -5.273 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.299 7.443 -6.688 1.00 1.34 C ATOM 0 H VAL A 145 4.716 9.681 -7.741 1.00 0.68 H new ATOM 0 HA VAL A 145 7.610 9.855 -7.604 1.00 0.70 H new ATOM 0 HB VAL A 145 7.408 7.627 -6.469 1.00 0.68 H new ATOM 0 HG11 VAL A 145 6.334 8.471 -4.415 1.00 1.34 H new ATOM 0 HG12 VAL A 145 7.413 9.680 -5.150 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.650 9.828 -5.341 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.177 6.820 -5.802 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.429 8.090 -6.799 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.393 6.807 -7.568 1.00 1.34 H new ATOM 2255 N GLN A 146 6.272 8.502 -10.059 1.00 0.68 N ATOM 2256 CA GLN A 146 6.428 7.732 -11.292 1.00 0.71 C ATOM 2257 C GLN A 146 6.288 6.239 -11.006 1.00 0.63 C ATOM 2258 O GLN A 146 7.147 5.443 -11.384 1.00 0.69 O ATOM 2259 CB GLN A 146 7.788 8.015 -11.945 1.00 0.86 C ATOM 2260 CG GLN A 146 8.062 9.488 -12.190 1.00 1.03 C ATOM 2261 CD GLN A 146 9.319 9.712 -13.007 1.00 1.30 C ATOM 2262 OE1 GLN A 146 9.273 9.766 -14.238 1.00 1.61 O ATOM 2263 NE2 GLN A 146 10.451 9.837 -12.331 1.00 1.95 N ATOM 0 H GLN A 146 5.523 9.193 -10.093 1.00 0.68 H new ATOM 0 HA GLN A 146 5.643 8.037 -11.983 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.576 7.611 -11.309 1.00 0.86 H new ATOM 0 HB3 GLN A 146 7.841 7.483 -12.895 1.00 0.86 H new ATOM 0 HG2 GLN A 146 7.211 9.932 -12.707 1.00 1.03 H new ATOM 0 HG3 GLN A 146 8.157 10.002 -11.233 1.00 1.03 H new ATOM 0 HE21 GLN A 146 10.445 9.786 -11.312 1.00 1.95 H new ATOM 0 HE22 GLN A 146 11.329 9.984 -12.829 1.00 1.95 H new ATOM 2272 N LEU A 147 5.204 5.871 -10.333 1.00 0.55 N ATOM 2273 CA LEU A 147 4.948 4.484 -9.969 1.00 0.49 C ATOM 2274 C LEU A 147 4.985 3.559 -11.182 1.00 0.50 C ATOM 2275 O LEU A 147 4.223 3.731 -12.134 1.00 0.62 O ATOM 2276 CB LEU A 147 3.594 4.376 -9.272 1.00 0.51 C ATOM 2277 CG LEU A 147 3.360 3.079 -8.502 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.427 2.896 -7.438 1.00 0.71 C ATOM 2279 CD2 LEU A 147 1.982 3.082 -7.868 1.00 0.55 C ATOM 0 H LEU A 147 4.482 6.522 -10.026 1.00 0.55 H new ATOM 0 HA LEU A 147 5.740 4.167 -9.291 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.491 5.213 -8.581 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.809 4.482 -10.020 1.00 0.51 H new ATOM 0 HG LEU A 147 3.420 2.246 -9.202 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.246 1.967 -6.898 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.409 2.856 -7.910 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.393 3.733 -6.741 1.00 0.71 H new ATOM 0 HD21 LEU A 147 1.830 2.151 -7.323 1.00 0.55 H new ATOM 0 HD22 LEU A 147 1.900 3.923 -7.180 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.224 3.175 -8.646 1.00 0.55 H new ATOM 2291 N ARG A 148 5.886 2.588 -11.143 1.00 0.53 N ATOM 2292 CA ARG A 148 6.029 1.627 -12.232 1.00 0.64 C ATOM 2293 C ARG A 148 5.291 0.332 -11.909 1.00 0.61 C ATOM 2294 O ARG A 148 4.573 -0.212 -12.746 1.00 1.08 O ATOM 2295 CB ARG A 148 7.509 1.335 -12.497 1.00 0.84 C ATOM 2296 CG ARG A 148 8.320 2.563 -12.873 1.00 1.02 C ATOM 2297 CD ARG A 148 7.797 3.200 -14.149 1.00 1.75 C ATOM 2298 NE ARG A 148 8.468 4.465 -14.446 1.00 2.46 N ATOM 2299 CZ ARG A 148 7.825 5.606 -14.679 1.00 3.34 C ATOM 2300 NH1 ARG A 148 6.497 5.649 -14.637 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 8.508 6.712 -14.953 1.00 4.16 N ATOM 0 H ARG A 148 6.532 2.443 -10.367 1.00 0.53 H new ATOM 0 HA ARG A 148 5.590 2.063 -13.129 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.945 0.882 -11.607 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.587 0.601 -13.299 1.00 0.84 H new ATOM 0 HG2 ARG A 148 8.283 3.288 -12.060 1.00 1.02 H new ATOM 0 HG3 ARG A 148 9.366 2.285 -13.005 1.00 1.02 H new ATOM 0 HD2 ARG A 148 7.938 2.511 -14.982 1.00 1.75 H new ATOM 0 HD3 ARG A 148 6.725 3.372 -14.055 1.00 1.75 H new ATOM 0 HE ARG A 148 9.488 4.473 -14.476 1.00 2.46 H new ATOM 0 HH11 ARG A 148 5.966 4.804 -14.425 1.00 3.78 H new ATOM 0 HH12 ARG A 148 6.009 6.527 -14.816 1.00 3.78 H new ATOM 0 HH21 ARG A 148 9.527 6.687 -14.985 1.00 4.16 H new ATOM 0 HH22 ARG A 148 8.013 7.586 -15.131 1.00 4.16 H new ATOM 2315 N GLY A 149 5.479 -0.155 -10.692 1.00 0.49 N ATOM 2316 CA GLY A 149 4.824 -1.374 -10.269 1.00 0.45 C ATOM 2317 C GLY A 149 3.725 -1.084 -9.275 1.00 0.42 C ATOM 2318 O GLY A 149 3.706 -0.011 -8.676 1.00 0.68 O ATOM 0 H GLY A 149 6.077 0.275 -9.987 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.408 -1.887 -11.136 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.555 -2.047 -9.821 1.00 0.45 H new ATOM 2322 N VAL A 150 2.811 -2.027 -9.101 1.00 0.31 N ATOM 2323 CA VAL A 150 1.705 -1.850 -8.170 1.00 0.32 C ATOM 2324 C VAL A 150 2.184 -1.848 -6.713 1.00 0.33 C ATOM 2325 O VAL A 150 1.926 -0.890 -5.993 1.00 0.38 O ATOM 2326 CB VAL A 150 0.599 -2.917 -8.358 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.720 -2.435 -7.777 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.443 -3.268 -9.827 1.00 0.49 C ATOM 0 H VAL A 150 2.813 -2.922 -9.591 1.00 0.31 H new ATOM 0 HA VAL A 150 1.275 -0.875 -8.398 1.00 0.32 H new ATOM 0 HB VAL A 150 0.897 -3.817 -7.820 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.482 -3.201 -7.921 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.598 -2.239 -6.712 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -1.027 -1.519 -8.282 1.00 0.45 H new ATOM 0 HG21 VAL A 150 -0.339 -4.019 -9.941 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.171 -2.374 -10.388 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.384 -3.663 -10.209 1.00 0.49 H new ATOM 2338 N PRO A 151 2.898 -2.900 -6.248 1.00 0.35 N ATOM 2339 CA PRO A 151 3.382 -2.971 -4.875 1.00 0.41 C ATOM 2340 C PRO A 151 4.761 -2.340 -4.719 1.00 0.40 C ATOM 2341 O PRO A 151 5.783 -2.964 -5.025 1.00 0.56 O ATOM 2342 CB PRO A 151 3.451 -4.484 -4.605 1.00 0.50 C ATOM 2343 CG PRO A 151 3.198 -5.160 -5.920 1.00 0.53 C ATOM 2344 CD PRO A 151 3.311 -4.096 -6.979 1.00 0.37 C ATOM 0 HA PRO A 151 2.739 -2.428 -4.183 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.426 -4.763 -4.206 1.00 0.50 H new ATOM 0 HB3 PRO A 151 2.707 -4.781 -3.866 1.00 0.50 H new ATOM 0 HG2 PRO A 151 3.922 -5.956 -6.092 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.210 -5.619 -5.936 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.327 -4.009 -7.364 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.663 -4.298 -7.832 1.00 0.37 H new ATOM 2352 N ALA A 152 4.789 -1.103 -4.253 1.00 0.38 N ATOM 2353 CA ALA A 152 6.039 -0.390 -4.057 1.00 0.38 C ATOM 2354 C ALA A 152 5.968 0.484 -2.818 1.00 0.40 C ATOM 2355 O ALA A 152 4.891 0.950 -2.439 1.00 0.63 O ATOM 2356 CB ALA A 152 6.378 0.449 -5.281 1.00 0.40 C ATOM 0 H ALA A 152 3.956 -0.570 -4.002 1.00 0.38 H new ATOM 0 HA ALA A 152 6.831 -1.125 -3.915 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.318 0.975 -5.113 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.476 -0.200 -6.151 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.583 1.174 -5.457 1.00 0.40 H new ATOM 2362 N MET A 153 7.117 0.706 -2.196 1.00 0.32 N ATOM 2363 CA MET A 153 7.185 1.521 -0.996 1.00 0.31 C ATOM 2364 C MET A 153 8.151 2.685 -1.186 1.00 0.31 C ATOM 2365 O MET A 153 9.256 2.516 -1.707 1.00 0.34 O ATOM 2366 CB MET A 153 7.609 0.664 0.198 1.00 0.34 C ATOM 2367 CG MET A 153 7.329 1.307 1.547 1.00 0.35 C ATOM 2368 SD MET A 153 7.441 0.130 2.911 1.00 0.38 S ATOM 2369 CE MET A 153 6.053 -0.942 2.555 1.00 0.42 C ATOM 0 H MET A 153 8.014 0.332 -2.504 1.00 0.32 H new ATOM 0 HA MET A 153 6.194 1.931 -0.801 1.00 0.31 H new ATOM 0 HB2 MET A 153 7.090 -0.293 0.148 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.676 0.453 0.121 1.00 0.34 H new ATOM 0 HG2 MET A 153 8.037 2.119 1.713 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.333 1.750 1.535 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.736 -1.443 3.470 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.227 -0.349 2.161 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.349 -1.688 1.817 1.00 0.42 H new ATOM 2379 N PHE A 154 7.713 3.868 -0.780 1.00 0.33 N ATOM 2380 CA PHE A 154 8.517 5.074 -0.881 1.00 0.36 C ATOM 2381 C PHE A 154 8.668 5.701 0.495 1.00 0.38 C ATOM 2382 O PHE A 154 7.682 5.900 1.208 1.00 0.43 O ATOM 2383 CB PHE A 154 7.868 6.070 -1.841 1.00 0.39 C ATOM 2384 CG PHE A 154 7.817 5.585 -3.265 1.00 0.39 C ATOM 2385 CD1 PHE A 154 6.755 4.810 -3.710 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.830 5.900 -4.153 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.707 4.364 -5.014 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.785 5.456 -5.462 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.723 4.688 -5.892 1.00 0.48 C ATOM 0 H PHE A 154 6.790 4.017 -0.372 1.00 0.33 H new ATOM 0 HA PHE A 154 9.501 4.812 -1.269 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.854 6.282 -1.501 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.420 7.009 -1.805 1.00 0.39 H new ATOM 0 HD1 PHE A 154 5.958 4.554 -3.028 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.665 6.499 -3.820 1.00 0.45 H new ATOM 0 HE1 PHE A 154 5.875 3.762 -5.349 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.580 5.710 -6.147 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.686 4.340 -6.914 1.00 0.48 H new ATOM 2399 N VAL A 155 9.897 6.010 0.868 1.00 0.40 N ATOM 2400 CA VAL A 155 10.159 6.597 2.171 1.00 0.43 C ATOM 2401 C VAL A 155 10.376 8.103 2.072 1.00 0.46 C ATOM 2402 O VAL A 155 11.296 8.569 1.389 1.00 0.48 O ATOM 2403 CB VAL A 155 11.372 5.943 2.855 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.541 6.498 4.263 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.209 4.426 2.883 1.00 0.47 C ATOM 0 H VAL A 155 10.726 5.866 0.291 1.00 0.40 H new ATOM 0 HA VAL A 155 9.275 6.410 2.780 1.00 0.43 H new ATOM 0 HB VAL A 155 12.270 6.177 2.284 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.402 6.028 4.738 1.00 0.55 H new ATOM 0 HG12 VAL A 155 11.697 7.576 4.213 1.00 0.55 H new ATOM 0 HG13 VAL A 155 10.645 6.288 4.847 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.074 3.976 3.370 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.306 4.167 3.436 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.130 4.050 1.863 1.00 0.47 H new ATOM 2415 N ASN A 156 9.492 8.846 2.741 1.00 0.49 N ATOM 2416 CA ASN A 156 9.528 10.313 2.784 1.00 0.55 C ATOM 2417 C ASN A 156 9.433 10.932 1.394 1.00 0.54 C ATOM 2418 O ASN A 156 9.765 12.100 1.201 1.00 0.58 O ATOM 2419 CB ASN A 156 10.790 10.802 3.506 1.00 0.61 C ATOM 2420 CG ASN A 156 10.569 10.972 4.997 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.449 11.214 5.449 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.636 10.869 5.773 1.00 1.01 N ATOM 0 H ASN A 156 8.722 8.443 3.275 1.00 0.49 H new ATOM 0 HA ASN A 156 8.652 10.640 3.344 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.600 10.092 3.339 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.106 11.753 3.077 1.00 0.61 H new ATOM 0 HD21 ASN A 156 11.547 10.991 6.782 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.548 10.667 5.362 1.00 1.01 H new ATOM 2429 N GLY A 157 8.973 10.143 0.429 1.00 0.51 N ATOM 2430 CA GLY A 157 8.838 10.627 -0.933 1.00 0.52 C ATOM 2431 C GLY A 157 10.177 11.003 -1.542 1.00 0.53 C ATOM 2432 O GLY A 157 10.243 11.831 -2.450 1.00 0.56 O ATOM 0 H GLY A 157 8.690 9.173 0.567 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.365 9.859 -1.545 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.179 11.495 -0.945 1.00 0.52 H new ATOM 2436 N LYS A 158 11.248 10.402 -1.029 1.00 0.52 N ATOM 2437 CA LYS A 158 12.595 10.683 -1.520 1.00 0.55 C ATOM 2438 C LYS A 158 13.317 9.400 -1.915 1.00 0.53 C ATOM 2439 O LYS A 158 13.906 9.306 -2.992 1.00 0.58 O ATOM 2440 CB LYS A 158 13.418 11.420 -0.453 1.00 0.61 C ATOM 2441 CG LYS A 158 13.196 12.926 -0.440 1.00 0.75 C ATOM 2442 CD LYS A 158 12.561 13.393 0.861 1.00 0.96 C ATOM 2443 CE LYS A 158 13.492 13.204 2.053 1.00 1.30 C ATOM 2444 NZ LYS A 158 12.892 13.712 3.319 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.209 9.718 -0.274 1.00 0.52 H new ATOM 0 HA LYS A 158 12.495 11.316 -2.402 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.168 11.017 0.528 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.476 11.219 -0.620 1.00 0.61 H new ATOM 0 HG2 LYS A 158 14.149 13.435 -0.582 1.00 0.75 H new ATOM 0 HG3 LYS A 158 12.557 13.206 -1.277 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.292 14.446 0.775 1.00 0.96 H new ATOM 0 HD3 LYS A 158 11.637 12.840 1.032 1.00 0.96 H new ATOM 0 HE2 LYS A 158 13.728 12.146 2.164 1.00 1.30 H new ATOM 0 HE3 LYS A 158 14.432 13.723 1.864 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 13.187 13.106 4.111 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 13.214 14.686 3.490 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 11.855 13.699 3.241 1.00 1.75 H new ATOM 2458 N TYR A 159 13.259 8.413 -1.039 1.00 0.50 N ATOM 2459 CA TYR A 159 13.930 7.147 -1.282 1.00 0.49 C ATOM 2460 C TYR A 159 12.953 6.080 -1.750 1.00 0.44 C ATOM 2461 O TYR A 159 11.931 5.832 -1.108 1.00 0.45 O ATOM 2462 CB TYR A 159 14.649 6.676 -0.015 1.00 0.53 C ATOM 2463 CG TYR A 159 15.662 7.664 0.520 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.873 7.866 -0.133 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.408 8.399 1.672 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.801 8.766 0.347 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.333 9.304 2.158 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.527 9.486 1.489 1.00 0.96 C ATOM 2469 OH TYR A 159 18.450 10.387 1.966 1.00 1.16 O ATOM 0 H TYR A 159 12.755 8.463 -0.154 1.00 0.50 H new ATOM 0 HA TYR A 159 14.662 7.306 -2.074 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.907 6.477 0.759 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.153 5.732 -0.225 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.091 7.308 -1.032 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.474 8.261 2.196 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.739 8.906 -0.170 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.123 9.866 3.056 1.00 0.89 H new ATOM 0 HH TYR A 159 18.968 10.751 1.218 1.00 1.16 H new ATOM 2479 N GLN A 160 13.277 5.467 -2.880 1.00 0.43 N ATOM 2480 CA GLN A 160 12.464 4.410 -3.464 1.00 0.40 C ATOM 2481 C GLN A 160 13.116 3.053 -3.209 1.00 0.40 C ATOM 2482 O GLN A 160 14.334 2.920 -3.310 1.00 0.46 O ATOM 2483 CB GLN A 160 12.308 4.650 -4.976 1.00 0.44 C ATOM 2484 CG GLN A 160 11.816 3.434 -5.749 1.00 0.48 C ATOM 2485 CD GLN A 160 11.698 3.694 -7.238 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.456 4.476 -7.809 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.738 3.044 -7.877 1.00 0.91 N ATOM 0 H GLN A 160 14.114 5.690 -3.419 1.00 0.43 H new ATOM 0 HA GLN A 160 11.477 4.417 -3.001 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.611 5.473 -5.133 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.269 4.963 -5.385 1.00 0.44 H new ATOM 0 HG2 GLN A 160 12.500 2.602 -5.583 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.844 3.130 -5.360 1.00 0.48 H new ATOM 0 HE21 GLN A 160 10.129 2.403 -7.368 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.607 3.184 -8.879 1.00 0.91 H new ATOM 2496 N LEU A 161 12.318 2.054 -2.868 1.00 0.39 N ATOM 2497 CA LEU A 161 12.852 0.725 -2.609 1.00 0.40 C ATOM 2498 C LEU A 161 12.809 -0.139 -3.863 1.00 0.37 C ATOM 2499 O LEU A 161 11.844 -0.096 -4.628 1.00 0.37 O ATOM 2500 CB LEU A 161 12.076 0.046 -1.482 1.00 0.45 C ATOM 2501 CG LEU A 161 12.498 0.453 -0.070 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.618 1.574 0.457 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.460 -0.747 0.860 1.00 1.20 C ATOM 0 H LEU A 161 11.307 2.136 -2.764 1.00 0.39 H new ATOM 0 HA LEU A 161 13.893 0.839 -2.306 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.016 0.268 -1.606 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.190 -1.033 -1.582 1.00 0.45 H new ATOM 0 HG LEU A 161 13.522 0.824 -0.111 1.00 0.51 H new ATOM 0 HD11 LEU A 161 11.938 1.846 1.463 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.703 2.441 -0.198 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.581 1.240 0.484 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.763 -0.441 1.861 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.447 -1.149 0.894 1.00 1.20 H new ATOM 0 HD23 LEU A 161 13.142 -1.514 0.493 1.00 1.20 H new ATOM 2515 N ASN A 162 13.864 -0.917 -4.069 1.00 0.40 N ATOM 2516 CA ASN A 162 13.957 -1.796 -5.227 1.00 0.41 C ATOM 2517 C ASN A 162 14.041 -3.254 -4.787 1.00 0.41 C ATOM 2518 O ASN A 162 15.053 -3.685 -4.234 1.00 0.45 O ATOM 2519 CB ASN A 162 15.180 -1.430 -6.076 1.00 0.50 C ATOM 2520 CG ASN A 162 15.395 -2.381 -7.243 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.447 -2.962 -7.776 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.647 -2.562 -7.637 1.00 0.72 N ATOM 0 H ASN A 162 14.671 -0.957 -3.446 1.00 0.40 H new ATOM 0 HA ASN A 162 13.058 -1.666 -5.830 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.061 -0.416 -6.457 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.068 -1.431 -5.444 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.853 -3.200 -8.406 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.405 -2.063 -7.171 1.00 0.72 H new ATOM 2529 N PRO A 163 12.974 -4.034 -5.032 1.00 0.41 N ATOM 2530 CA PRO A 163 12.925 -5.450 -4.655 1.00 0.43 C ATOM 2531 C PRO A 163 13.779 -6.333 -5.565 1.00 0.45 C ATOM 2532 O PRO A 163 14.149 -7.449 -5.200 1.00 0.52 O ATOM 2533 CB PRO A 163 11.441 -5.795 -4.810 1.00 0.46 C ATOM 2534 CG PRO A 163 10.930 -4.860 -5.847 1.00 0.54 C ATOM 2535 CD PRO A 163 11.730 -3.592 -5.697 1.00 0.43 C ATOM 0 HA PRO A 163 13.321 -5.621 -3.654 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.308 -6.833 -5.115 1.00 0.46 H new ATOM 0 HB3 PRO A 163 10.907 -5.669 -3.868 1.00 0.46 H new ATOM 0 HG2 PRO A 163 11.051 -5.281 -6.845 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.866 -4.668 -5.709 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.935 -3.132 -6.664 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.198 -2.852 -5.099 1.00 0.43 H new ATOM 2543 N GLN A 164 14.112 -5.815 -6.744 1.00 0.48 N ATOM 2544 CA GLN A 164 14.916 -6.558 -7.707 1.00 0.53 C ATOM 2545 C GLN A 164 16.403 -6.421 -7.396 1.00 0.54 C ATOM 2546 O GLN A 164 17.252 -6.970 -8.095 1.00 0.68 O ATOM 2547 CB GLN A 164 14.619 -6.080 -9.129 1.00 0.62 C ATOM 2548 CG GLN A 164 13.196 -6.376 -9.574 1.00 0.86 C ATOM 2549 CD GLN A 164 12.938 -5.964 -11.007 1.00 1.41 C ATOM 2550 OE1 GLN A 164 12.477 -4.853 -11.273 1.00 2.22 O ATOM 2551 NE2 GLN A 164 13.236 -6.851 -11.940 1.00 1.82 N ATOM 0 H GLN A 164 13.837 -4.883 -7.055 1.00 0.48 H new ATOM 0 HA GLN A 164 14.651 -7.613 -7.631 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.796 -5.006 -9.189 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.315 -6.557 -9.819 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.999 -7.443 -9.465 1.00 0.86 H new ATOM 0 HG3 GLN A 164 12.498 -5.855 -8.919 1.00 0.86 H new ATOM 0 HE21 GLN A 164 13.616 -7.760 -11.677 1.00 1.82 H new ATOM 0 HE22 GLN A 164 13.086 -6.627 -12.924 1.00 1.82 H new ATOM 2560 N GLY A 165 16.710 -5.677 -6.342 1.00 0.51 N ATOM 2561 CA GLY A 165 18.087 -5.487 -5.940 1.00 0.54 C ATOM 2562 C GLY A 165 18.349 -6.053 -4.563 1.00 0.50 C ATOM 2563 O GLY A 165 19.294 -5.656 -3.882 1.00 0.59 O ATOM 0 H GLY A 165 16.025 -5.200 -5.756 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.747 -5.967 -6.663 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.325 -4.423 -5.948 1.00 0.54 H new ATOM 2567 N MET A 166 17.502 -6.984 -4.150 1.00 0.45 N ATOM 2568 CA MET A 166 17.631 -7.619 -2.846 1.00 0.45 C ATOM 2569 C MET A 166 17.806 -9.122 -3.011 1.00 0.48 C ATOM 2570 O MET A 166 17.931 -9.614 -4.138 1.00 0.57 O ATOM 2571 CB MET A 166 16.407 -7.319 -1.979 1.00 0.43 C ATOM 2572 CG MET A 166 16.178 -5.834 -1.755 1.00 0.43 C ATOM 2573 SD MET A 166 14.976 -5.496 -0.453 1.00 0.48 S ATOM 2574 CE MET A 166 14.924 -3.706 -0.529 1.00 0.49 C ATOM 0 H MET A 166 16.713 -7.319 -4.703 1.00 0.45 H new ATOM 0 HA MET A 166 18.512 -7.214 -2.348 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.523 -7.749 -2.450 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.525 -7.811 -1.014 1.00 0.43 H new ATOM 0 HG2 MET A 166 17.126 -5.360 -1.499 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.836 -5.380 -2.685 1.00 0.43 H new ATOM 0 HE1 MET A 166 14.928 -3.299 0.482 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.796 -3.339 -1.071 1.00 0.49 H new ATOM 0 HE3 MET A 166 14.017 -3.390 -1.044 1.00 0.49 H new ATOM 2584 N ASP A 167 17.820 -9.845 -1.899 1.00 0.55 N ATOM 2585 CA ASP A 167 17.979 -11.292 -1.939 1.00 0.62 C ATOM 2586 C ASP A 167 16.720 -11.941 -2.489 1.00 0.62 C ATOM 2587 O ASP A 167 15.621 -11.705 -1.993 1.00 0.79 O ATOM 2588 CB ASP A 167 18.279 -11.856 -0.548 1.00 0.80 C ATOM 2589 CG ASP A 167 18.577 -13.347 -0.575 1.00 0.94 C ATOM 2590 OD1 ASP A 167 17.640 -14.154 -0.743 1.00 1.54 O1- ATOM 2591 OD2 ASP A 167 19.758 -13.722 -0.428 1.00 1.38 O ATOM 0 H ASP A 167 17.724 -9.455 -0.962 1.00 0.55 H new ATOM 0 HA ASP A 167 18.822 -11.517 -2.592 1.00 0.62 H new ATOM 0 HB2 ASP A 167 19.131 -11.326 -0.121 1.00 0.80 H new ATOM 0 HB3 ASP A 167 17.427 -11.671 0.107 1.00 0.80 H new ATOM 2596 N THR A 168 16.883 -12.738 -3.527 1.00 0.67 N ATOM 2597 CA THR A 168 15.764 -13.427 -4.132 1.00 0.79 C ATOM 2598 C THR A 168 15.977 -14.933 -4.043 1.00 0.86 C ATOM 2599 O THR A 168 15.544 -15.696 -4.909 1.00 1.04 O ATOM 2600 CB THR A 168 15.586 -13.003 -5.600 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.578 -12.024 -5.938 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.197 -12.421 -5.830 1.00 1.16 C ATOM 0 H THR A 168 17.783 -12.924 -3.969 1.00 0.67 H new ATOM 0 HA THR A 168 14.858 -13.158 -3.589 1.00 0.79 H new ATOM 0 HB THR A 168 15.702 -13.883 -6.233 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.466 -11.755 -6.874 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.094 -12.128 -6.875 1.00 1.16 H new ATOM 0 HG22 THR A 168 13.444 -13.170 -5.587 1.00 1.16 H new ATOM 0 HG23 THR A 168 14.058 -11.548 -5.193 1.00 1.16 H new ATOM 2610 N SER A 169 16.649 -15.348 -2.978 1.00 0.82 N ATOM 2611 CA SER A 169 16.939 -16.753 -2.749 1.00 0.89 C ATOM 2612 C SER A 169 16.158 -17.277 -1.548 1.00 0.80 C ATOM 2613 O SER A 169 15.694 -18.419 -1.547 1.00 0.93 O ATOM 2614 CB SER A 169 18.440 -16.936 -2.525 1.00 1.01 C ATOM 2615 OG SER A 169 19.136 -15.711 -2.709 1.00 1.53 O ATOM 0 H SER A 169 17.005 -14.724 -2.254 1.00 0.82 H new ATOM 0 HA SER A 169 16.633 -17.323 -3.627 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.618 -17.311 -1.517 1.00 1.01 H new ATOM 0 HB3 SER A 169 18.826 -17.685 -3.217 1.00 1.01 H new ATOM 0 HG SER A 169 20.094 -15.853 -2.559 1.00 1.53 H new ATOM 2621 N ASN A 170 16.010 -16.438 -0.527 1.00 0.68 N ATOM 2622 CA ASN A 170 15.292 -16.825 0.681 1.00 0.69 C ATOM 2623 C ASN A 170 14.223 -15.796 1.021 1.00 0.63 C ATOM 2624 O ASN A 170 14.526 -14.626 1.267 1.00 0.60 O ATOM 2625 CB ASN A 170 16.267 -16.998 1.851 1.00 0.80 C ATOM 2626 CG ASN A 170 15.588 -17.448 3.133 1.00 0.91 C ATOM 2627 OD1 ASN A 170 14.441 -17.898 3.128 1.00 1.21 O ATOM 2628 ND2 ASN A 170 16.302 -17.348 4.243 1.00 1.14 N ATOM 0 H ASN A 170 16.378 -15.487 -0.513 1.00 0.68 H new ATOM 0 HA ASN A 170 14.800 -17.781 0.499 1.00 0.69 H new ATOM 0 HB2 ASN A 170 17.029 -17.727 1.576 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.780 -16.053 2.031 1.00 0.80 H new ATOM 0 HD21 ASN A 170 15.905 -17.649 5.133 1.00 1.14 H new ATOM 0 HD22 ASN A 170 17.249 -16.970 4.208 1.00 1.14 H new ATOM 2635 N MET A 171 12.973 -16.251 1.028 1.00 0.67 N ATOM 2636 CA MET A 171 11.824 -15.398 1.325 1.00 0.66 C ATOM 2637 C MET A 171 11.990 -14.676 2.656 1.00 0.59 C ATOM 2638 O MET A 171 11.667 -13.496 2.770 1.00 0.55 O ATOM 2639 CB MET A 171 10.541 -16.233 1.364 1.00 0.78 C ATOM 2640 CG MET A 171 10.028 -16.652 -0.003 1.00 0.95 C ATOM 2641 SD MET A 171 9.395 -15.262 -0.963 1.00 1.54 S ATOM 2642 CE MET A 171 8.325 -16.114 -2.119 1.00 1.96 C ATOM 0 H MET A 171 12.727 -17.221 0.828 1.00 0.67 H new ATOM 0 HA MET A 171 11.759 -14.652 0.533 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.721 -17.127 1.962 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.764 -15.661 1.871 1.00 0.78 H new ATOM 0 HG2 MET A 171 10.833 -17.134 -0.557 1.00 0.95 H new ATOM 0 HG3 MET A 171 9.238 -17.393 0.121 1.00 0.95 H new ATOM 0 HE1 MET A 171 7.857 -15.388 -2.784 1.00 1.96 H new ATOM 0 HE2 MET A 171 8.913 -16.819 -2.707 1.00 1.96 H new ATOM 0 HE3 MET A 171 7.553 -16.654 -1.570 1.00 1.96 H new ATOM 2652 N ASP A 172 12.492 -15.391 3.659 1.00 0.63 N ATOM 2653 CA ASP A 172 12.694 -14.819 4.991 1.00 0.62 C ATOM 2654 C ASP A 172 13.600 -13.600 4.936 1.00 0.54 C ATOM 2655 O ASP A 172 13.297 -12.562 5.523 1.00 0.57 O ATOM 2656 CB ASP A 172 13.300 -15.849 5.942 1.00 0.70 C ATOM 2657 CG ASP A 172 12.309 -16.902 6.384 1.00 1.26 C ATOM 2658 OD1 ASP A 172 11.249 -16.536 6.936 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 12.593 -18.105 6.190 1.00 1.82 O ATOM 0 H ASP A 172 12.767 -16.370 3.576 1.00 0.63 H new ATOM 0 HA ASP A 172 11.714 -14.517 5.362 1.00 0.62 H new ATOM 0 HB2 ASP A 172 14.144 -16.335 5.452 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.693 -15.337 6.820 1.00 0.70 H new ATOM 2664 N VAL A 173 14.708 -13.733 4.222 1.00 0.51 N ATOM 2665 CA VAL A 173 15.669 -12.649 4.091 1.00 0.49 C ATOM 2666 C VAL A 173 15.054 -11.469 3.349 1.00 0.42 C ATOM 2667 O VAL A 173 15.164 -10.334 3.795 1.00 0.43 O ATOM 2668 CB VAL A 173 16.951 -13.107 3.363 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.915 -11.945 3.170 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.628 -14.227 4.136 1.00 0.65 C ATOM 0 H VAL A 173 14.964 -14.585 3.723 1.00 0.51 H new ATOM 0 HA VAL A 173 15.941 -12.338 5.100 1.00 0.49 H new ATOM 0 HB VAL A 173 16.665 -13.480 2.379 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.809 -12.296 2.655 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.434 -11.169 2.575 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.193 -11.537 4.142 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.530 -14.539 3.610 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.893 -13.873 5.132 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.947 -15.074 4.221 1.00 0.65 H new ATOM 2680 N PHE A 174 14.387 -11.750 2.233 1.00 0.42 N ATOM 2681 CA PHE A 174 13.751 -10.707 1.427 1.00 0.38 C ATOM 2682 C PHE A 174 12.799 -9.849 2.263 1.00 0.35 C ATOM 2683 O PHE A 174 12.880 -8.620 2.243 1.00 0.35 O ATOM 2684 CB PHE A 174 12.997 -11.336 0.250 1.00 0.41 C ATOM 2685 CG PHE A 174 12.317 -10.330 -0.645 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.052 -9.572 -1.544 1.00 0.42 C ATOM 2687 CD2 PHE A 174 10.941 -10.151 -0.591 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.430 -8.655 -2.371 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.313 -9.234 -1.415 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.059 -8.484 -2.307 1.00 0.45 C ATOM 0 H PHE A 174 14.272 -12.694 1.864 1.00 0.42 H new ATOM 0 HA PHE A 174 14.538 -10.056 1.046 1.00 0.38 H new ATOM 0 HB2 PHE A 174 13.696 -11.924 -0.345 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.249 -12.028 0.638 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.123 -9.699 -1.599 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.354 -10.735 0.103 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.015 -8.072 -3.067 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.242 -9.104 -1.362 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.572 -7.767 -2.951 1.00 0.45 H new ATOM 2700 N VAL A 175 11.919 -10.503 3.015 1.00 0.37 N ATOM 2701 CA VAL A 175 10.949 -9.803 3.850 1.00 0.37 C ATOM 2702 C VAL A 175 11.639 -8.929 4.902 1.00 0.35 C ATOM 2703 O VAL A 175 11.271 -7.769 5.101 1.00 0.36 O ATOM 2704 CB VAL A 175 10.001 -10.795 4.557 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.974 -10.056 5.401 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.306 -11.691 3.544 1.00 0.45 C ATOM 0 H VAL A 175 11.858 -11.520 3.063 1.00 0.37 H new ATOM 0 HA VAL A 175 10.368 -9.163 3.186 1.00 0.37 H new ATOM 0 HB VAL A 175 10.602 -11.420 5.217 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.318 -10.777 5.889 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.485 -9.461 6.157 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.382 -9.401 4.762 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.643 -12.382 4.064 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.724 -11.078 2.855 1.00 0.45 H new ATOM 0 HG23 VAL A 175 10.052 -12.256 2.985 1.00 0.45 H new ATOM 2716 N GLN A 176 12.654 -9.486 5.558 1.00 0.37 N ATOM 2717 CA GLN A 176 13.384 -8.765 6.598 1.00 0.39 C ATOM 2718 C GLN A 176 14.239 -7.650 6.013 1.00 0.38 C ATOM 2719 O GLN A 176 14.285 -6.547 6.558 1.00 0.40 O ATOM 2720 CB GLN A 176 14.262 -9.724 7.408 1.00 0.44 C ATOM 2721 CG GLN A 176 13.474 -10.779 8.168 1.00 0.64 C ATOM 2722 CD GLN A 176 12.339 -10.194 8.987 1.00 0.81 C ATOM 2723 OE1 GLN A 176 12.412 -9.061 9.465 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.281 -10.970 9.149 1.00 1.11 N ATOM 0 H GLN A 176 12.990 -10.434 5.388 1.00 0.37 H new ATOM 0 HA GLN A 176 12.644 -8.314 7.259 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.960 -10.220 6.734 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.857 -9.147 8.116 1.00 0.44 H new ATOM 0 HG2 GLN A 176 13.069 -11.502 7.460 1.00 0.64 H new ATOM 0 HG3 GLN A 176 14.149 -11.323 8.829 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.264 -11.902 8.735 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.482 -10.637 9.688 1.00 1.11 H new ATOM 2733 N GLN A 177 14.894 -7.942 4.897 1.00 0.37 N ATOM 2734 CA GLN A 177 15.764 -6.982 4.226 1.00 0.39 C ATOM 2735 C GLN A 177 14.963 -5.785 3.730 1.00 0.37 C ATOM 2736 O GLN A 177 15.397 -4.641 3.859 1.00 0.39 O ATOM 2737 CB GLN A 177 16.479 -7.651 3.049 1.00 0.42 C ATOM 2738 CG GLN A 177 17.657 -6.857 2.514 1.00 0.56 C ATOM 2739 CD GLN A 177 18.240 -7.455 1.246 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.132 -8.654 0.995 1.00 1.02 O ATOM 2741 NE2 GLN A 177 18.861 -6.618 0.434 1.00 1.32 N ATOM 0 H GLN A 177 14.838 -8.848 4.432 1.00 0.37 H new ATOM 0 HA GLN A 177 16.506 -6.632 4.944 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.828 -8.635 3.361 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.763 -7.808 2.243 1.00 0.42 H new ATOM 0 HG2 GLN A 177 17.340 -5.833 2.315 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.433 -6.808 3.278 1.00 0.56 H new ATOM 0 HE21 GLN A 177 18.931 -5.630 0.676 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.271 -6.960 -0.435 1.00 1.32 H new ATOM 2750 N TYR A 178 13.791 -6.062 3.164 1.00 0.36 N ATOM 2751 CA TYR A 178 12.922 -5.012 2.653 1.00 0.36 C ATOM 2752 C TYR A 178 12.543 -4.057 3.774 1.00 0.36 C ATOM 2753 O TYR A 178 12.768 -2.850 3.678 1.00 0.39 O ATOM 2754 CB TYR A 178 11.662 -5.618 2.027 1.00 0.37 C ATOM 2755 CG TYR A 178 10.936 -4.682 1.079 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.951 -3.817 1.539 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.238 -4.669 -0.277 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.287 -2.964 0.675 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.581 -3.819 -1.148 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.605 -2.968 -0.669 1.00 0.40 C ATOM 2761 OH TYR A 178 8.947 -2.120 -1.536 1.00 0.45 O ATOM 0 H TYR A 178 13.423 -7.006 3.049 1.00 0.36 H new ATOM 0 HA TYR A 178 13.460 -4.458 1.883 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.936 -6.525 1.488 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.979 -5.915 2.823 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.699 -3.810 2.589 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.999 -5.334 -0.658 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.524 -2.298 1.050 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.830 -3.821 -2.199 1.00 0.46 H new ATOM 0 HH TYR A 178 9.292 -2.249 -2.444 1.00 0.45 H new ATOM 2771 N ALA A 179 12.004 -4.617 4.851 1.00 0.35 N ATOM 2772 CA ALA A 179 11.588 -3.828 6.001 1.00 0.37 C ATOM 2773 C ALA A 179 12.772 -3.105 6.638 1.00 0.39 C ATOM 2774 O ALA A 179 12.632 -1.988 7.143 1.00 0.43 O ATOM 2775 CB ALA A 179 10.896 -4.721 7.016 1.00 0.39 C ATOM 0 H ALA A 179 11.845 -5.620 4.950 1.00 0.35 H new ATOM 0 HA ALA A 179 10.886 -3.067 5.659 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.587 -4.125 7.874 1.00 0.39 H new ATOM 0 HB2 ALA A 179 10.020 -5.180 6.559 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.584 -5.500 7.344 1.00 0.39 H new ATOM 2781 N ASP A 180 13.939 -3.740 6.606 1.00 0.39 N ATOM 2782 CA ASP A 180 15.144 -3.148 7.177 1.00 0.44 C ATOM 2783 C ASP A 180 15.577 -1.935 6.370 1.00 0.44 C ATOM 2784 O ASP A 180 16.071 -0.949 6.926 1.00 0.49 O ATOM 2785 CB ASP A 180 16.281 -4.165 7.223 1.00 0.48 C ATOM 2786 CG ASP A 180 16.558 -4.655 8.627 1.00 0.80 C ATOM 2787 OD1 ASP A 180 15.844 -4.233 9.565 1.00 1.55 O ATOM 2788 OD2 ASP A 180 17.472 -5.484 8.801 1.00 1.40 O1- ATOM 0 H ASP A 180 14.076 -4.662 6.192 1.00 0.39 H new ATOM 0 HA ASP A 180 14.911 -2.835 8.195 1.00 0.44 H new ATOM 0 HB2 ASP A 180 16.031 -5.014 6.587 1.00 0.48 H new ATOM 0 HB3 ASP A 180 17.185 -3.715 6.813 1.00 0.48 H new ATOM 2793 N THR A 181 15.405 -2.018 5.058 1.00 0.42 N ATOM 2794 CA THR A 181 15.757 -0.918 4.174 1.00 0.43 C ATOM 2795 C THR A 181 14.824 0.265 4.417 1.00 0.42 C ATOM 2796 O THR A 181 15.265 1.412 4.475 1.00 0.45 O ATOM 2797 CB THR A 181 15.704 -1.341 2.688 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.463 -2.543 2.497 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.253 -0.239 1.788 1.00 0.48 C ATOM 0 H THR A 181 15.024 -2.836 4.583 1.00 0.42 H new ATOM 0 HA THR A 181 16.782 -0.624 4.398 1.00 0.43 H new ATOM 0 HB THR A 181 14.663 -1.519 2.420 1.00 0.44 H new ATOM 0 HG1 THR A 181 16.016 -3.288 2.950 1.00 0.47 H new ATOM 0 HG21 THR A 181 16.205 -0.561 0.748 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.658 0.665 1.916 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.289 -0.033 2.056 1.00 0.48 H new ATOM 2807 N VAL A 182 13.535 -0.032 4.589 1.00 0.40 N ATOM 2808 CA VAL A 182 12.533 0.999 4.846 1.00 0.40 C ATOM 2809 C VAL A 182 12.890 1.784 6.097 1.00 0.44 C ATOM 2810 O VAL A 182 12.929 3.018 6.086 1.00 0.48 O ATOM 2811 CB VAL A 182 11.124 0.400 5.041 1.00 0.40 C ATOM 2812 CG1 VAL A 182 10.091 1.505 5.192 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.750 -0.511 3.888 1.00 0.39 C ATOM 0 H VAL A 182 13.162 -0.981 4.555 1.00 0.40 H new ATOM 0 HA VAL A 182 12.524 1.651 3.972 1.00 0.40 H new ATOM 0 HB VAL A 182 11.139 -0.196 5.954 1.00 0.40 H new ATOM 0 HG11 VAL A 182 9.104 1.064 5.329 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.338 2.118 6.059 1.00 0.43 H new ATOM 0 HG13 VAL A 182 10.090 2.127 4.297 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.752 -0.918 4.054 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.760 0.057 2.958 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.468 -1.328 3.822 1.00 0.39 H new ATOM 2823 N LYS A 183 13.167 1.053 7.170 1.00 0.44 N ATOM 2824 CA LYS A 183 13.515 1.653 8.450 1.00 0.50 C ATOM 2825 C LYS A 183 14.767 2.516 8.337 1.00 0.53 C ATOM 2826 O LYS A 183 14.821 3.617 8.888 1.00 0.60 O ATOM 2827 CB LYS A 183 13.723 0.561 9.499 1.00 0.53 C ATOM 2828 CG LYS A 183 13.627 1.063 10.928 1.00 0.60 C ATOM 2829 CD LYS A 183 14.983 1.065 11.618 1.00 0.75 C ATOM 2830 CE LYS A 183 14.831 0.914 13.120 1.00 0.93 C ATOM 2831 NZ LYS A 183 14.104 -0.334 13.478 1.00 1.59 N1+ ATOM 0 H LYS A 183 13.157 0.033 7.177 1.00 0.44 H new ATOM 0 HA LYS A 183 12.690 2.297 8.757 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.980 -0.222 9.348 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.702 0.106 9.348 1.00 0.53 H new ATOM 0 HG2 LYS A 183 13.216 2.072 10.932 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.935 0.435 11.488 1.00 0.60 H new ATOM 0 HD2 LYS A 183 15.595 0.252 11.228 1.00 0.75 H new ATOM 0 HD3 LYS A 183 15.507 1.994 11.394 1.00 0.75 H new ATOM 0 HE2 LYS A 183 15.816 0.908 13.586 1.00 0.93 H new ATOM 0 HE3 LYS A 183 14.295 1.775 13.520 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 14.346 -0.609 14.451 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 13.079 -0.171 13.408 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 14.378 -1.095 12.825 1.00 1.59 H new ATOM 2845 N TYR A 184 15.765 2.015 7.617 1.00 0.52 N ATOM 2846 CA TYR A 184 17.009 2.747 7.427 1.00 0.57 C ATOM 2847 C TYR A 184 16.746 4.076 6.731 1.00 0.58 C ATOM 2848 O TYR A 184 17.289 5.106 7.121 1.00 0.65 O ATOM 2849 CB TYR A 184 18.002 1.920 6.604 1.00 0.60 C ATOM 2850 CG TYR A 184 19.222 2.705 6.158 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.180 3.113 7.078 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.411 3.044 4.823 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.287 3.837 6.680 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.519 3.765 4.418 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.452 4.159 5.353 1.00 0.99 C ATOM 2856 OH TYR A 184 22.552 4.883 4.954 1.00 1.17 O ATOM 0 H TYR A 184 15.735 1.105 7.156 1.00 0.52 H new ATOM 0 HA TYR A 184 17.440 2.940 8.409 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.327 1.064 7.195 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.493 1.525 5.725 1.00 0.60 H new ATOM 0 HD1 TYR A 184 20.057 2.860 8.121 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.679 2.739 4.089 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.021 4.149 7.408 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.653 4.018 3.377 1.00 0.88 H new ATOM 0 HH TYR A 184 22.517 5.024 3.985 1.00 1.17 H new ATOM 2866 N LEU A 185 15.893 4.044 5.714 1.00 0.54 N ATOM 2867 CA LEU A 185 15.564 5.243 4.957 1.00 0.57 C ATOM 2868 C LEU A 185 14.728 6.202 5.801 1.00 0.59 C ATOM 2869 O LEU A 185 14.859 7.420 5.680 1.00 0.68 O ATOM 2870 CB LEU A 185 14.824 4.872 3.667 1.00 0.54 C ATOM 2871 CG LEU A 185 15.529 3.838 2.780 1.00 0.54 C ATOM 2872 CD1 LEU A 185 14.646 3.455 1.602 1.00 0.53 C ATOM 2873 CD2 LEU A 185 16.871 4.373 2.300 1.00 0.61 C ATOM 0 H LEU A 185 15.417 3.200 5.395 1.00 0.54 H new ATOM 0 HA LEU A 185 16.492 5.748 4.690 1.00 0.57 H new ATOM 0 HB2 LEU A 185 13.838 4.488 3.931 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.667 5.780 3.084 1.00 0.54 H new ATOM 0 HG LEU A 185 15.713 2.942 3.372 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.162 2.721 0.984 1.00 0.53 H new ATOM 0 HD12 LEU A 185 13.713 3.028 1.970 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.429 4.342 1.007 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.357 3.626 1.672 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.714 5.285 1.724 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.504 4.592 3.160 1.00 0.61 H new ATOM 2885 N SER A 186 13.883 5.647 6.664 1.00 0.55 N ATOM 2886 CA SER A 186 13.039 6.456 7.539 1.00 0.60 C ATOM 2887 C SER A 186 13.898 7.206 8.553 1.00 0.65 C ATOM 2888 O SER A 186 13.654 8.372 8.856 1.00 0.73 O ATOM 2889 CB SER A 186 12.017 5.570 8.260 1.00 0.59 C ATOM 2890 OG SER A 186 11.245 4.817 7.337 1.00 1.07 O ATOM 0 H SER A 186 13.764 4.640 6.777 1.00 0.55 H new ATOM 0 HA SER A 186 12.501 7.183 6.931 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.535 4.894 8.941 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.358 6.191 8.867 1.00 0.59 H new ATOM 0 HG SER A 186 11.828 4.193 6.855 1.00 1.07 H new ATOM 2896 N GLU A 187 14.923 6.526 9.054 1.00 0.66 N ATOM 2897 CA GLU A 187 15.840 7.108 10.019 1.00 0.76 C ATOM 2898 C GLU A 187 17.016 7.762 9.303 1.00 0.82 C ATOM 2899 O GLU A 187 18.084 7.952 9.890 1.00 0.98 O ATOM 2900 CB GLU A 187 16.349 6.022 10.975 1.00 0.80 C ATOM 2901 CG GLU A 187 15.353 5.662 12.063 1.00 1.10 C ATOM 2902 CD GLU A 187 15.074 6.833 12.980 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.969 7.195 13.775 1.00 2.01 O ATOM 2904 OE2 GLU A 187 13.970 7.407 12.905 1.00 2.26 O1- ATOM 0 H GLU A 187 15.139 5.561 8.803 1.00 0.66 H new ATOM 0 HA GLU A 187 15.311 7.870 10.591 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.589 5.127 10.401 1.00 0.80 H new ATOM 0 HB3 GLU A 187 17.275 6.361 11.438 1.00 0.80 H new ATOM 0 HG2 GLU A 187 14.421 5.328 11.607 1.00 1.10 H new ATOM 0 HG3 GLU A 187 15.739 4.827 12.647 1.00 1.10 H new ATOM 2911 N LYS A 188 16.811 8.122 8.043 1.00 0.79 N ATOM 2912 CA LYS A 188 17.862 8.730 7.244 1.00 0.86 C ATOM 2913 C LYS A 188 17.575 10.205 6.985 1.00 0.99 C ATOM 2914 O LYS A 188 18.227 11.077 7.565 1.00 1.46 O ATOM 2915 CB LYS A 188 18.013 7.982 5.919 1.00 0.82 C ATOM 2916 CG LYS A 188 19.342 8.221 5.226 1.00 0.95 C ATOM 2917 CD LYS A 188 19.394 7.501 3.892 1.00 1.00 C ATOM 2918 CE LYS A 188 20.775 7.572 3.264 1.00 1.25 C ATOM 2919 NZ LYS A 188 21.125 8.959 2.867 1.00 1.72 N1+ ATOM 0 H LYS A 188 15.924 8.002 7.553 1.00 0.79 H new ATOM 0 HA LYS A 188 18.795 8.661 7.803 1.00 0.86 H new ATOM 0 HB2 LYS A 188 17.896 6.914 6.101 1.00 0.82 H new ATOM 0 HB3 LYS A 188 17.206 8.282 5.250 1.00 0.82 H new ATOM 0 HG2 LYS A 188 19.490 9.290 5.073 1.00 0.95 H new ATOM 0 HG3 LYS A 188 20.156 7.875 5.863 1.00 0.95 H new ATOM 0 HD2 LYS A 188 19.112 6.457 4.031 1.00 1.00 H new ATOM 0 HD3 LYS A 188 18.663 7.941 3.213 1.00 1.00 H new ATOM 0 HE2 LYS A 188 21.516 7.197 3.970 1.00 1.25 H new ATOM 0 HE3 LYS A 188 20.811 6.923 2.389 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 21.787 8.934 2.066 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 20.262 9.468 2.587 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 21.571 9.448 3.670 1.00 1.72 H new ATOM 2933 N LYS A 189 16.600 10.483 6.127 1.00 1.41 N ATOM 2934 CA LYS A 189 16.249 11.853 5.786 1.00 1.63 C ATOM 2935 C LYS A 189 14.793 11.942 5.362 1.00 2.24 C ATOM 2936 O LYS A 189 14.195 13.030 5.503 1.00 2.81 O ATOM 2937 CB LYS A 189 17.147 12.364 4.657 1.00 2.37 C ATOM 2938 CG LYS A 189 18.164 13.405 5.098 1.00 2.87 C ATOM 2939 CD LYS A 189 17.525 14.773 5.246 1.00 3.48 C ATOM 2940 CE LYS A 189 18.020 15.490 6.491 1.00 3.91 C ATOM 2941 NZ LYS A 189 17.276 16.755 6.732 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 14.254 10.929 4.874 1.00 2.89 O1- ATOM 0 H LYS A 189 16.038 9.775 5.655 1.00 1.41 H new ATOM 0 HA LYS A 189 16.396 12.474 6.670 1.00 1.63 H new ATOM 0 HB2 LYS A 189 17.676 11.519 4.216 1.00 2.37 H new ATOM 0 HB3 LYS A 189 16.521 12.792 3.874 1.00 2.37 H new ATOM 0 HG2 LYS A 189 18.607 13.104 6.047 1.00 2.87 H new ATOM 0 HG3 LYS A 189 18.974 13.456 4.370 1.00 2.87 H new ATOM 0 HD2 LYS A 189 17.747 15.376 4.366 1.00 3.48 H new ATOM 0 HD3 LYS A 189 16.441 14.666 5.294 1.00 3.48 H new ATOM 0 HE2 LYS A 189 17.912 14.834 7.355 1.00 3.91 H new ATOM 0 HE3 LYS A 189 19.083 15.708 6.387 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 17.642 17.215 7.590 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 17.400 17.391 5.918 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 16.265 16.545 6.857 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 7.858 -9.930 -9.010 1.00 2.80 O HETATM 2958 C13 SFQ A 201 8.012 -10.504 -7.912 1.00 2.19 C HETATM 2959 O4 SFQ A 201 7.116 -11.260 -7.484 1.00 2.04 O HETATM 2960 C8 SFQ A 201 9.187 -10.315 -7.190 1.00 1.95 C HETATM 2961 C9 SFQ A 201 10.189 -9.504 -7.707 1.00 2.61 C HETATM 2962 C10 SFQ A 201 11.379 -9.333 -7.005 1.00 2.73 C HETATM 2963 C11 SFQ A 201 11.569 -9.971 -5.787 1.00 2.07 C HETATM 2964 C12 SFQ A 201 10.570 -10.778 -5.263 1.00 1.25 C HETATM 2965 C7 SFQ A 201 9.381 -10.944 -5.965 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.380 -11.694 -5.506 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.604 -12.450 -4.078 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.270 -13.039 -3.612 1.00 1.89 O HETATM 2969 O2 SFQ A 201 9.104 -11.456 -3.028 1.00 2.07 O HETATM 2970 C4 SFQ A 201 9.762 -13.749 -4.283 1.00 1.37 C HETATM 2971 C2 SFQ A 201 10.950 -13.753 -3.561 1.00 2.11 C HETATM 2972 C1 SFQ A 201 11.859 -14.789 -3.732 1.00 2.79 C HETATM 2973 C3 SFQ A 201 11.582 -15.824 -4.616 1.00 2.87 C HETATM 2974 I1 SFQ A 201 12.950 -17.386 -4.874 1.00 4.24 I HETATM 2975 C6 SFQ A 201 10.394 -15.821 -5.336 1.00 2.39 C HETATM 2976 C5 SFQ A 201 9.484 -14.783 -5.169 1.00 1.65 C