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 166 MET CE :methyl 157:sc= -0.225 (180deg=-0.987) USER MOD Set 1.2: A 181 THR OG1 : rot 81:sc= 1.22 USER MOD Set 2.1: A 10 THR OG1 : rot 117:sc= 1.12 USER MOD Set 2.2: A 160 GLN : amide:sc= 0.849 K(o=2,f=-1.7!) USER MOD Set 3.1: A 159 TYR OH : rot 180:sc= 0.349 USER MOD Set 3.2: A 188 LYS NZ :NH3+ -168:sc= 0.21 (180deg=-0.435) USER MOD Set 4.1: A 56 MET CE :methyl -109:sc= -0.0529 (180deg=-1.24) USER MOD Set 4.2: A 153 MET CE :methyl -168:sc= -1.62 (180deg=-1.93) USER MOD Set 5.1: A 27 SER OG : rot 39:sc= 1.35 USER MOD Set 5.2: A 60 HIS : no HE2:sc= 0.845 K(o=3.4,f=-11!) USER MOD Set 5.3: A 62 ASN : amide:sc= -1.03 K(o=3.4,f=-5.6!) USER MOD Set 5.4: A 73 THR OG1 : rot 176:sc= 2.27 USER MOD Set 6.1: A 59 TYR OH : rot -113:sc= 0.692 USER MOD Set 6.2: A 137 GLN : amide:sc= 0.618 K(o=1.3,f=-1.1) USER MOD Set 7.1: A 43 SER OG : rot -69:sc= 2.31 USER MOD Set 7.2: A 58 LYS NZ :NH3+ 174:sc= 3.11 (180deg=1.96) USER MOD Set 8.1: A 1 ALA N :NH3+ -158:sc= 1.11 (180deg=0.254) USER MOD Set 8.2: A 3 TYR OH : rot -129:sc= 1.4 USER MOD Single : A 2 GLN :FLIP amide:sc= -1.51 F(o=-2.8!,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.962 K(o=0.96,f=-7.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1.9) USER MOD Single : A 30 CYS SG : rot -130:sc= -3.2! USER MOD Single : A 32 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-7.2!) USER MOD Single : A 33 CYS SG : rot -80:sc= 0.642 USER MOD Single : A 34 TYR OH : rot 16:sc= 1.23 USER MOD Single : A 35 GLN : amide:sc= 0.648 K(o=0.65,f=-0.024) USER MOD Single : A 41 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-4.5!) USER MOD Single : A 45 ASN : amide:sc= -0.029 K(o=-0.029,f=-0.68) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 2.25 (180deg=1.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.16) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0 USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.159) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.931 K(o=0.93,f=-1.1) USER MOD Single : A 80 MET CE :methyl -167:sc= -0.767 (180deg=-1.14) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 35:sc= 0.981 USER MOD Single : A 97 GLN : amide:sc= -0.148 K(o=-0.15,f=-3.8!) USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.249!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 100 GLN : amide:sc= 1.05 K(o=1.1,f=-0.45) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 104 SER OG : rot 180:sc= -0.113 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 114 ASN : amide:sc= -0.0431 K(o=-0.043,f=-1.1) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 54:sc= 0.579 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.237 F(o=-0.81,f=-0.24) USER MOD Single : A 128 SER OG : rot -73:sc= 1.26 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 48:sc= 1.33 USER MOD Single : A 138 GLN : amide:sc= -0.148! C(o=-0.15!,f=-5.4!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.293 K(o=-0.29,f=-2) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 ASN : amide:sc= 0.341 K(o=0.34,f=-4.3!) USER MOD Single : A 164 GLN : amide:sc= -0.83 X(o=-0.83,f=-0.36) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 170 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) USER MOD Single : A 171 MET CE :methyl -127:sc= -0.0704 (180deg=-0.607) USER MOD Single : A 176 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.38) USER MOD Single : A 177 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 21:sc= 0.417 USER MOD Single : A 189 LYS NZ :NH3+ -114:sc= -0.535! (180deg=-4.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.618 -3.966 7.381 1.00 4.06 N ATOM 2 CA ALA A 1 22.265 -4.637 6.226 1.00 3.55 C ATOM 3 C ALA A 1 22.892 -3.605 5.292 1.00 2.45 C ATOM 4 O ALA A 1 22.952 -2.421 5.625 1.00 2.64 O ATOM 5 CB ALA A 1 21.255 -5.497 5.475 1.00 4.08 C ATOM 0 H1 ALA A 1 21.531 -4.639 8.169 1.00 4.06 H new ATOM 0 H2 ALA A 1 22.197 -3.155 7.680 1.00 4.06 H new ATOM 0 H3 ALA A 1 20.673 -3.633 7.104 1.00 4.06 H new ATOM 0 HA ALA A 1 23.056 -5.286 6.601 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.746 -5.982 4.631 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.853 -6.256 6.146 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.442 -4.869 5.110 1.00 4.08 H new ATOM 13 N GLN A 2 23.363 -4.052 4.133 1.00 1.87 N ATOM 14 CA GLN A 2 23.982 -3.166 3.152 1.00 1.08 C ATOM 15 C GLN A 2 22.912 -2.533 2.265 1.00 0.98 C ATOM 16 O GLN A 2 22.121 -3.238 1.642 1.00 1.20 O ATOM 17 CB GLN A 2 24.988 -3.952 2.300 1.00 1.59 C ATOM 18 CG GLN A 2 25.760 -3.107 1.295 1.00 2.07 C ATOM 19 CD GLN A 2 26.479 -1.937 1.938 1.00 2.84 C ATOM 20 OE1 GLN A 2 26.741 -0.910 1.151 1.00 3.18 O flip ATOM 21 NE2 GLN A 2 26.817 -1.968 3.119 1.00 3.58 N flip ATOM 0 H GLN A 2 23.328 -5.031 3.848 1.00 1.87 H new ATOM 0 HA GLN A 2 24.512 -2.370 3.676 1.00 1.08 H new ATOM 0 HB2 GLN A 2 25.699 -4.446 2.963 1.00 1.59 H new ATOM 0 HB3 GLN A 2 24.455 -4.737 1.763 1.00 1.59 H new ATOM 0 HG2 GLN A 2 26.487 -3.736 0.781 1.00 2.07 H new ATOM 0 HG3 GLN A 2 25.071 -2.732 0.538 1.00 2.07 H new ATOM 0 HE21 GLN A 2 26.594 -2.782 3.692 1.00 3.58 H new ATOM 0 HE22 GLN A 2 27.320 -1.180 3.526 1.00 3.58 H new ATOM 30 N TYR A 3 22.878 -1.204 2.226 1.00 0.86 N ATOM 31 CA TYR A 3 21.894 -0.488 1.419 1.00 0.85 C ATOM 32 C TYR A 3 22.577 0.529 0.515 1.00 0.84 C ATOM 33 O TYR A 3 22.952 1.618 0.954 1.00 0.97 O ATOM 34 CB TYR A 3 20.870 0.218 2.314 1.00 0.91 C ATOM 35 CG TYR A 3 20.346 -0.657 3.431 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.636 -1.823 3.152 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.573 -0.330 4.759 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.184 -2.639 4.169 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.115 -1.139 5.781 1.00 1.07 C ATOM 40 CZ TYR A 3 19.421 -2.290 5.482 1.00 1.15 C ATOM 41 OH TYR A 3 18.993 -3.114 6.495 1.00 1.32 O ATOM 0 H TYR A 3 23.519 -0.602 2.743 1.00 0.86 H new ATOM 0 HA TYR A 3 21.375 -1.218 0.798 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.327 1.109 2.744 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.033 0.553 1.702 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.437 -2.092 2.125 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.117 0.572 4.999 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.647 -3.547 3.938 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.301 -0.870 6.810 1.00 1.07 H new ATOM 0 HH TYR A 3 18.488 -2.590 7.152 1.00 1.32 H new ATOM 51 N GLU A 4 22.745 0.164 -0.740 1.00 0.79 N ATOM 52 CA GLU A 4 23.377 1.036 -1.710 1.00 0.81 C ATOM 53 C GLU A 4 22.360 1.561 -2.710 1.00 0.74 C ATOM 54 O GLU A 4 21.435 0.846 -3.112 1.00 0.72 O ATOM 55 CB GLU A 4 24.494 0.295 -2.440 1.00 0.88 C ATOM 56 CG GLU A 4 25.829 0.375 -1.726 1.00 1.10 C ATOM 57 CD GLU A 4 26.825 -0.638 -2.244 1.00 1.60 C ATOM 58 OE1 GLU A 4 27.570 -0.316 -3.192 1.00 2.29 O ATOM 59 OE2 GLU A 4 26.867 -1.764 -1.702 1.00 2.08 O1- ATOM 0 H GLU A 4 22.450 -0.738 -1.114 1.00 0.79 H new ATOM 0 HA GLU A 4 23.804 1.885 -1.176 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.213 -0.752 -2.554 1.00 0.88 H new ATOM 0 HB3 GLU A 4 24.600 0.708 -3.443 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.241 1.377 -1.844 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.676 0.216 -0.658 1.00 1.10 H new ATOM 66 N ASP A 5 22.533 2.816 -3.097 1.00 0.74 N ATOM 67 CA ASP A 5 21.648 3.465 -4.054 1.00 0.71 C ATOM 68 C ASP A 5 21.818 2.833 -5.431 1.00 0.71 C ATOM 69 O ASP A 5 22.932 2.728 -5.943 1.00 0.77 O ATOM 70 CB ASP A 5 21.946 4.969 -4.096 1.00 0.74 C ATOM 71 CG ASP A 5 21.406 5.649 -5.334 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.171 5.841 -5.430 1.00 1.83 O ATOM 73 OD2 ASP A 5 22.218 6.012 -6.209 1.00 1.76 O1- ATOM 0 H ASP A 5 23.288 3.412 -2.758 1.00 0.74 H new ATOM 0 HA ASP A 5 20.612 3.329 -3.744 1.00 0.71 H new ATOM 0 HB2 ASP A 5 21.517 5.443 -3.213 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.024 5.121 -4.047 1.00 0.74 H new ATOM 78 N GLY A 6 20.716 2.384 -6.003 1.00 0.68 N ATOM 79 CA GLY A 6 20.756 1.753 -7.304 1.00 0.70 C ATOM 80 C GLY A 6 20.566 0.251 -7.212 1.00 0.71 C ATOM 81 O GLY A 6 20.187 -0.402 -8.190 1.00 0.78 O ATOM 0 H GLY A 6 19.787 2.445 -5.587 1.00 0.68 H new ATOM 0 HA2 GLY A 6 19.978 2.179 -7.938 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.711 1.969 -7.783 1.00 0.70 H new ATOM 85 N LYS A 7 20.812 -0.302 -6.032 1.00 0.69 N ATOM 86 CA LYS A 7 20.669 -1.733 -5.820 1.00 0.71 C ATOM 87 C LYS A 7 19.454 -2.024 -4.940 1.00 0.64 C ATOM 88 O LYS A 7 18.414 -2.459 -5.433 1.00 0.62 O ATOM 89 CB LYS A 7 21.942 -2.305 -5.189 1.00 0.80 C ATOM 90 CG LYS A 7 21.956 -3.825 -5.089 1.00 0.86 C ATOM 91 CD LYS A 7 22.063 -4.488 -6.455 1.00 1.04 C ATOM 92 CE LYS A 7 21.995 -6.000 -6.340 1.00 1.23 C ATOM 93 NZ LYS A 7 22.068 -6.666 -7.669 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.111 0.220 -5.208 1.00 0.69 H new ATOM 0 HA LYS A 7 20.515 -2.215 -6.785 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.802 -1.982 -5.775 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.061 -1.884 -4.190 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.794 -4.139 -4.467 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.047 -4.164 -4.592 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.258 -4.133 -7.098 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.001 -4.199 -6.930 1.00 1.04 H new ATOM 0 HE2 LYS A 7 22.814 -6.353 -5.713 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.067 -6.284 -5.843 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 22.018 -7.697 -7.544 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 21.273 -6.350 -8.260 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 22.964 -6.417 -8.133 1.00 1.87 H new ATOM 107 N GLN A 8 19.588 -1.755 -3.642 1.00 0.66 N ATOM 108 CA GLN A 8 18.503 -1.995 -2.691 1.00 0.62 C ATOM 109 C GLN A 8 17.425 -0.924 -2.814 1.00 0.56 C ATOM 110 O GLN A 8 16.231 -1.223 -2.796 1.00 0.53 O ATOM 111 CB GLN A 8 19.032 -2.038 -1.253 1.00 0.68 C ATOM 112 CG GLN A 8 19.806 -3.304 -0.919 1.00 0.78 C ATOM 113 CD GLN A 8 21.231 -3.270 -1.431 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.800 -2.198 -1.632 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.815 -4.435 -1.637 1.00 1.15 N ATOM 0 H GLN A 8 20.436 -1.371 -3.225 1.00 0.66 H new ATOM 0 HA GLN A 8 18.064 -2.964 -2.930 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.677 -1.175 -1.088 1.00 0.68 H new ATOM 0 HB3 GLN A 8 18.192 -1.945 -0.564 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.816 -3.444 0.162 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.291 -4.164 -1.347 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.305 -5.300 -1.457 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.776 -4.471 -1.976 1.00 1.15 H new ATOM 124 N TYR A 9 17.855 0.323 -2.929 1.00 0.57 N ATOM 125 CA TYR A 9 16.930 1.442 -3.058 1.00 0.54 C ATOM 126 C TYR A 9 17.439 2.430 -4.094 1.00 0.55 C ATOM 127 O TYR A 9 18.639 2.516 -4.338 1.00 0.62 O ATOM 128 CB TYR A 9 16.720 2.139 -1.706 1.00 0.54 C ATOM 129 CG TYR A 9 17.884 3.001 -1.258 1.00 0.56 C ATOM 130 CD1 TYR A 9 18.960 2.451 -0.576 1.00 0.63 C ATOM 131 CD2 TYR A 9 17.899 4.368 -1.513 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.019 3.235 -0.160 1.00 0.70 C ATOM 133 CE2 TYR A 9 18.952 5.158 -1.102 1.00 0.65 C ATOM 134 CZ TYR A 9 20.010 4.591 -0.426 1.00 0.69 C ATOM 135 OH TYR A 9 21.065 5.380 -0.016 1.00 0.79 O ATOM 0 H TYR A 9 18.840 0.587 -2.936 1.00 0.57 H new ATOM 0 HA TYR A 9 15.967 1.053 -3.390 1.00 0.54 H new ATOM 0 HB2 TYR A 9 15.826 2.760 -1.766 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.531 1.381 -0.946 1.00 0.54 H new ATOM 0 HD1 TYR A 9 18.970 1.392 -0.367 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.072 4.819 -2.042 1.00 0.59 H new ATOM 0 HE1 TYR A 9 20.849 2.791 0.370 1.00 0.70 H new ATOM 0 HE2 TYR A 9 18.947 6.218 -1.309 1.00 0.65 H new ATOM 0 HH TYR A 9 20.902 6.309 -0.283 1.00 0.79 H new ATOM 145 N THR A 10 16.526 3.172 -4.692 1.00 0.53 N ATOM 146 CA THR A 10 16.875 4.146 -5.706 1.00 0.56 C ATOM 147 C THR A 10 16.409 5.539 -5.309 1.00 0.55 C ATOM 148 O THR A 10 15.279 5.722 -4.854 1.00 0.56 O ATOM 149 CB THR A 10 16.268 3.764 -7.068 1.00 0.59 C ATOM 150 OG1 THR A 10 15.124 2.915 -6.880 1.00 0.83 O ATOM 151 CG2 THR A 10 17.297 3.049 -7.928 1.00 0.90 C ATOM 0 H THR A 10 15.528 3.117 -4.489 1.00 0.53 H new ATOM 0 HA THR A 10 17.961 4.152 -5.794 1.00 0.56 H new ATOM 0 HB THR A 10 15.958 4.679 -7.574 1.00 0.59 H new ATOM 0 HG1 THR A 10 14.324 3.363 -7.225 1.00 0.83 H new ATOM 0 HG21 THR A 10 16.850 2.786 -8.887 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.152 3.705 -8.093 1.00 0.90 H new ATOM 0 HG23 THR A 10 17.628 2.142 -7.421 1.00 0.90 H new ATOM 159 N THR A 11 17.289 6.512 -5.451 1.00 0.63 N ATOM 160 CA THR A 11 16.959 7.886 -5.106 1.00 0.65 C ATOM 161 C THR A 11 16.247 8.604 -6.257 1.00 0.65 C ATOM 162 O THR A 11 16.728 8.614 -7.394 1.00 0.73 O ATOM 163 CB THR A 11 18.232 8.659 -4.718 1.00 0.71 C ATOM 164 OG1 THR A 11 19.073 7.825 -3.903 1.00 1.11 O ATOM 165 CG2 THR A 11 17.899 9.940 -3.968 1.00 0.97 C ATOM 0 H THR A 11 18.237 6.379 -5.802 1.00 0.63 H new ATOM 0 HA THR A 11 16.278 7.856 -4.255 1.00 0.65 H new ATOM 0 HB THR A 11 18.755 8.932 -5.635 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.512 7.154 -4.466 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.821 10.461 -3.710 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.285 10.582 -4.599 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.352 9.697 -3.057 1.00 0.97 H new ATOM 173 N LEU A 12 15.093 9.196 -5.959 1.00 0.63 N ATOM 174 CA LEU A 12 14.333 9.926 -6.961 1.00 0.65 C ATOM 175 C LEU A 12 14.891 11.337 -7.098 1.00 0.69 C ATOM 176 O LEU A 12 15.209 11.986 -6.097 1.00 0.71 O ATOM 177 CB LEU A 12 12.847 9.978 -6.591 1.00 0.66 C ATOM 178 CG LEU A 12 12.137 8.625 -6.530 1.00 0.67 C ATOM 179 CD1 LEU A 12 10.722 8.795 -6.004 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.111 7.970 -7.903 1.00 0.72 C ATOM 0 H LEU A 12 14.667 9.183 -5.032 1.00 0.63 H new ATOM 0 HA LEU A 12 14.425 9.406 -7.915 1.00 0.65 H new ATOM 0 HB2 LEU A 12 12.749 10.465 -5.621 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.331 10.607 -7.317 1.00 0.66 H new ATOM 0 HG LEU A 12 12.690 7.978 -5.849 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.229 7.824 -5.966 1.00 0.74 H new ATOM 0 HD12 LEU A 12 10.755 9.224 -5.003 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.165 9.459 -6.665 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.602 7.009 -7.838 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.581 8.615 -8.604 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.132 7.817 -8.252 1.00 0.72 H new ATOM 192 N GLU A 13 15.021 11.802 -8.335 1.00 0.75 N ATOM 193 CA GLU A 13 15.547 13.139 -8.597 1.00 0.81 C ATOM 194 C GLU A 13 14.496 14.196 -8.287 1.00 0.80 C ATOM 195 O GLU A 13 14.822 15.328 -7.931 1.00 0.89 O ATOM 196 CB GLU A 13 15.993 13.267 -10.054 1.00 0.92 C ATOM 197 CG GLU A 13 16.985 12.202 -10.486 1.00 1.05 C ATOM 198 CD GLU A 13 17.481 12.413 -11.901 1.00 1.67 C ATOM 199 OE1 GLU A 13 16.700 12.901 -12.745 1.00 2.28 O1- ATOM 200 OE2 GLU A 13 18.658 12.094 -12.178 1.00 2.33 O ATOM 0 H GLU A 13 14.770 11.275 -9.172 1.00 0.75 H new ATOM 0 HA GLU A 13 16.410 13.295 -7.949 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.116 13.216 -10.699 1.00 0.92 H new ATOM 0 HB3 GLU A 13 16.441 14.250 -10.202 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.834 12.202 -9.803 1.00 1.05 H new ATOM 0 HG3 GLU A 13 16.516 11.221 -10.411 1.00 1.05 H new ATOM 207 N LYS A 14 13.236 13.819 -8.436 1.00 0.75 N ATOM 208 CA LYS A 14 12.128 14.722 -8.162 1.00 0.76 C ATOM 209 C LYS A 14 11.343 14.228 -6.949 1.00 0.70 C ATOM 210 O LYS A 14 10.408 13.441 -7.082 1.00 0.71 O ATOM 211 CB LYS A 14 11.200 14.811 -9.377 1.00 0.84 C ATOM 212 CG LYS A 14 11.912 15.142 -10.682 1.00 1.51 C ATOM 213 CD LYS A 14 11.991 16.641 -10.918 1.00 2.21 C ATOM 214 CE LYS A 14 12.753 16.969 -12.194 1.00 3.19 C ATOM 215 NZ LYS A 14 12.648 18.408 -12.551 1.00 3.64 N1+ ATOM 0 H LYS A 14 12.954 12.889 -8.747 1.00 0.75 H new ATOM 0 HA LYS A 14 12.530 15.713 -7.952 1.00 0.76 H new ATOM 0 HB2 LYS A 14 10.678 13.861 -9.492 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.442 15.571 -9.187 1.00 0.84 H new ATOM 0 HG2 LYS A 14 12.918 14.724 -10.663 1.00 1.51 H new ATOM 0 HG3 LYS A 14 11.386 14.671 -11.512 1.00 1.51 H new ATOM 0 HD2 LYS A 14 10.984 17.054 -10.979 1.00 2.21 H new ATOM 0 HD3 LYS A 14 12.480 17.118 -10.069 1.00 2.21 H new ATOM 0 HE2 LYS A 14 13.802 16.702 -12.068 1.00 3.19 H new ATOM 0 HE3 LYS A 14 12.366 16.363 -13.013 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 13.181 18.588 -13.426 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 11.649 18.658 -12.696 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 13.041 18.986 -11.781 1.00 3.64 H new ATOM 229 N PRO A 15 11.722 14.672 -5.745 1.00 0.70 N ATOM 230 CA PRO A 15 11.056 14.261 -4.515 1.00 0.68 C ATOM 231 C PRO A 15 9.739 14.996 -4.288 1.00 0.67 C ATOM 232 O PRO A 15 9.611 16.190 -4.585 1.00 0.76 O ATOM 233 CB PRO A 15 12.066 14.624 -3.436 1.00 0.72 C ATOM 234 CG PRO A 15 12.833 15.772 -3.991 1.00 0.85 C ATOM 235 CD PRO A 15 12.829 15.610 -5.489 1.00 0.79 C ATOM 0 HA PRO A 15 10.785 13.205 -4.530 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.568 14.896 -2.506 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.722 13.783 -3.212 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.376 16.719 -3.703 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.852 15.780 -3.605 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.669 16.563 -5.993 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.778 15.214 -5.850 1.00 0.79 H new ATOM 243 N VAL A 16 8.771 14.276 -3.747 1.00 0.62 N ATOM 244 CA VAL A 16 7.455 14.832 -3.484 1.00 0.64 C ATOM 245 C VAL A 16 7.464 15.724 -2.243 1.00 0.64 C ATOM 246 O VAL A 16 7.919 15.319 -1.172 1.00 0.66 O ATOM 247 CB VAL A 16 6.411 13.714 -3.301 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.019 14.290 -3.098 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.431 12.765 -4.489 1.00 0.72 C ATOM 0 H VAL A 16 8.874 13.297 -3.480 1.00 0.62 H new ATOM 0 HA VAL A 16 7.185 15.438 -4.349 1.00 0.64 H new ATOM 0 HB VAL A 16 6.674 13.152 -2.405 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.304 13.477 -2.972 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.012 14.921 -2.209 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.741 14.886 -3.968 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.687 11.982 -4.342 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.201 13.318 -5.400 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.419 12.314 -4.578 1.00 0.72 H new ATOM 259 N ALA A 17 6.970 16.943 -2.399 1.00 0.71 N ATOM 260 CA ALA A 17 6.910 17.886 -1.297 1.00 0.75 C ATOM 261 C ALA A 17 5.685 17.622 -0.434 1.00 0.72 C ATOM 262 O ALA A 17 4.554 17.670 -0.919 1.00 0.80 O ATOM 263 CB ALA A 17 6.891 19.308 -1.822 1.00 0.89 C ATOM 0 H ALA A 17 6.604 17.301 -3.281 1.00 0.71 H new ATOM 0 HA ALA A 17 7.799 17.754 -0.680 1.00 0.75 H new ATOM 0 HB1 ALA A 17 6.846 20.004 -0.985 1.00 0.89 H new ATOM 0 HB2 ALA A 17 7.796 19.494 -2.401 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.018 19.449 -2.459 1.00 0.89 H new ATOM 269 N GLY A 18 5.914 17.351 0.842 1.00 0.71 N ATOM 270 CA GLY A 18 4.818 17.072 1.750 1.00 0.73 C ATOM 271 C GLY A 18 4.483 15.596 1.798 1.00 0.68 C ATOM 272 O GLY A 18 3.389 15.207 2.203 1.00 0.73 O ATOM 0 H GLY A 18 6.841 17.319 1.267 1.00 0.71 H new ATOM 0 HA2 GLY A 18 5.079 17.417 2.750 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.937 17.634 1.439 1.00 0.73 H new ATOM 276 N ALA A 19 5.437 14.777 1.377 1.00 0.64 N ATOM 277 CA ALA A 19 5.258 13.334 1.361 1.00 0.60 C ATOM 278 C ALA A 19 5.349 12.750 2.768 1.00 0.57 C ATOM 279 O ALA A 19 6.098 13.253 3.611 1.00 0.61 O ATOM 280 CB ALA A 19 6.289 12.690 0.446 1.00 0.61 C ATOM 0 H ALA A 19 6.347 15.091 1.040 1.00 0.64 H new ATOM 0 HA ALA A 19 4.261 13.118 0.977 1.00 0.60 H new ATOM 0 HB1 ALA A 19 6.146 11.609 0.441 1.00 0.61 H new ATOM 0 HB2 ALA A 19 6.169 13.077 -0.566 1.00 0.61 H new ATOM 0 HB3 ALA A 19 7.291 12.922 0.807 1.00 0.61 H new ATOM 286 N PRO A 20 4.570 11.692 3.045 1.00 0.54 N ATOM 287 CA PRO A 20 4.572 11.037 4.353 1.00 0.54 C ATOM 288 C PRO A 20 5.844 10.223 4.583 1.00 0.51 C ATOM 289 O PRO A 20 6.601 9.955 3.645 1.00 0.52 O ATOM 290 CB PRO A 20 3.349 10.120 4.295 1.00 0.55 C ATOM 291 CG PRO A 20 3.141 9.844 2.848 1.00 0.56 C ATOM 292 CD PRO A 20 3.617 11.065 2.110 1.00 0.55 C ATOM 0 HA PRO A 20 4.539 11.755 5.173 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.520 9.199 4.852 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.475 10.600 4.735 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.698 8.960 2.537 1.00 0.56 H new ATOM 0 HG3 PRO A 20 2.090 9.648 2.637 1.00 0.56 H new ATOM 0 HD2 PRO A 20 4.096 10.801 1.167 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.791 11.735 1.871 1.00 0.55 H new ATOM 300 N GLN A 21 6.069 9.835 5.835 1.00 0.52 N ATOM 301 CA GLN A 21 7.251 9.061 6.206 1.00 0.51 C ATOM 302 C GLN A 21 7.349 7.768 5.399 1.00 0.46 C ATOM 303 O GLN A 21 8.320 7.557 4.675 1.00 0.47 O ATOM 304 CB GLN A 21 7.230 8.742 7.703 1.00 0.56 C ATOM 305 CG GLN A 21 7.526 9.942 8.584 1.00 0.66 C ATOM 306 CD GLN A 21 7.305 9.653 10.057 1.00 0.93 C ATOM 307 OE1 GLN A 21 8.200 9.166 10.745 1.00 1.79 O ATOM 308 NE2 GLN A 21 6.118 9.963 10.555 1.00 0.95 N ATOM 0 H GLN A 21 5.445 10.045 6.614 1.00 0.52 H new ATOM 0 HA GLN A 21 8.128 9.668 5.980 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.252 8.341 7.967 1.00 0.56 H new ATOM 0 HB3 GLN A 21 7.961 7.961 7.910 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.559 10.255 8.430 1.00 0.66 H new ATOM 0 HG3 GLN A 21 6.892 10.775 8.282 1.00 0.66 H new ATOM 0 HE21 GLN A 21 5.401 10.366 9.951 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.921 9.799 11.542 1.00 0.95 H new ATOM 317 N VAL A 22 6.350 6.908 5.528 1.00 0.43 N ATOM 318 CA VAL A 22 6.345 5.643 4.802 1.00 0.40 C ATOM 319 C VAL A 22 5.127 5.555 3.889 1.00 0.38 C ATOM 320 O VAL A 22 4.009 5.313 4.345 1.00 0.42 O ATOM 321 CB VAL A 22 6.369 4.428 5.761 1.00 0.42 C ATOM 322 CG1 VAL A 22 6.372 3.116 4.984 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.577 4.500 6.685 1.00 0.45 C ATOM 0 H VAL A 22 5.536 7.060 6.124 1.00 0.43 H new ATOM 0 HA VAL A 22 7.252 5.614 4.199 1.00 0.40 H new ATOM 0 HB VAL A 22 5.464 4.461 6.367 1.00 0.42 H new ATOM 0 HG11 VAL A 22 6.389 2.279 5.683 1.00 0.45 H new ATOM 0 HG12 VAL A 22 5.475 3.056 4.368 1.00 0.45 H new ATOM 0 HG13 VAL A 22 7.254 3.073 4.345 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.577 3.638 7.352 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.491 4.499 6.090 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.530 5.415 7.275 1.00 0.45 H new ATOM 333 N LEU A 23 5.352 5.776 2.606 1.00 0.36 N ATOM 334 CA LEU A 23 4.289 5.718 1.617 1.00 0.36 C ATOM 335 C LEU A 23 4.307 4.365 0.917 1.00 0.32 C ATOM 336 O LEU A 23 5.373 3.850 0.590 1.00 0.35 O ATOM 337 CB LEU A 23 4.464 6.841 0.591 1.00 0.41 C ATOM 338 CG LEU A 23 3.441 6.860 -0.545 1.00 0.46 C ATOM 339 CD1 LEU A 23 2.067 7.245 -0.023 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.882 7.819 -1.638 1.00 0.53 C ATOM 0 H LEU A 23 6.270 5.999 2.222 1.00 0.36 H new ATOM 0 HA LEU A 23 3.330 5.846 2.119 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.419 7.797 1.113 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.461 6.761 0.158 1.00 0.41 H new ATOM 0 HG LEU A 23 3.378 5.857 -0.967 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.354 7.253 -0.847 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.747 6.522 0.727 1.00 0.51 H new ATOM 0 HD13 LEU A 23 2.113 8.237 0.426 1.00 0.51 H new ATOM 0 HD21 LEU A 23 3.143 7.821 -2.440 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.973 8.824 -1.225 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.846 7.501 -2.034 1.00 0.53 H new ATOM 352 N GLU A 24 3.138 3.788 0.691 1.00 0.32 N ATOM 353 CA GLU A 24 3.052 2.493 0.035 1.00 0.30 C ATOM 354 C GLU A 24 1.799 2.408 -0.836 1.00 0.29 C ATOM 355 O GLU A 24 0.811 3.101 -0.585 1.00 0.35 O ATOM 356 CB GLU A 24 3.036 1.381 1.084 1.00 0.36 C ATOM 357 CG GLU A 24 3.243 -0.009 0.505 1.00 0.39 C ATOM 358 CD GLU A 24 2.551 -1.074 1.320 1.00 0.90 C ATOM 359 OE1 GLU A 24 3.010 -1.349 2.446 1.00 1.61 O ATOM 360 OE2 GLU A 24 1.541 -1.632 0.844 1.00 1.54 O1- ATOM 0 H GLU A 24 2.239 4.194 0.951 1.00 0.32 H new ATOM 0 HA GLU A 24 3.924 2.371 -0.607 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.815 1.578 1.821 1.00 0.36 H new ATOM 0 HB3 GLU A 24 2.083 1.406 1.613 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.867 -0.035 -0.518 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.310 -0.226 0.458 1.00 0.39 H new ATOM 367 N PHE A 25 1.854 1.561 -1.855 1.00 0.27 N ATOM 368 CA PHE A 25 0.733 1.366 -2.765 1.00 0.29 C ATOM 369 C PHE A 25 0.434 -0.118 -2.926 1.00 0.29 C ATOM 370 O PHE A 25 1.300 -0.961 -2.683 1.00 0.34 O ATOM 371 CB PHE A 25 1.041 1.977 -4.135 1.00 0.35 C ATOM 372 CG PHE A 25 1.213 3.471 -4.117 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.107 4.311 -4.111 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.478 4.036 -4.114 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.264 5.683 -4.101 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.638 5.408 -4.102 1.00 0.50 C ATOM 377 CZ PHE A 25 1.531 6.231 -4.096 1.00 0.53 C ATOM 0 H PHE A 25 2.672 0.992 -2.074 1.00 0.27 H new ATOM 0 HA PHE A 25 -0.139 1.864 -2.342 1.00 0.29 H new ATOM 0 HB2 PHE A 25 1.951 1.522 -4.527 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.235 1.723 -4.823 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.886 3.887 -4.114 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.348 3.397 -4.121 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.603 6.326 -4.097 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.629 5.836 -4.097 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.656 7.304 -4.087 1.00 0.53 H new ATOM 387 N PHE A 26 -0.793 -0.426 -3.328 1.00 0.31 N ATOM 388 CA PHE A 26 -1.216 -1.804 -3.536 1.00 0.32 C ATOM 389 C PHE A 26 -2.562 -1.849 -4.264 1.00 0.34 C ATOM 390 O PHE A 26 -3.160 -0.806 -4.559 1.00 0.38 O ATOM 391 CB PHE A 26 -1.319 -2.543 -2.192 1.00 0.34 C ATOM 392 CG PHE A 26 -2.598 -2.285 -1.442 1.00 0.36 C ATOM 393 CD1 PHE A 26 -2.990 -0.991 -1.131 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.410 -3.338 -1.057 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.166 -0.753 -0.452 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.588 -3.104 -0.377 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.966 -1.811 -0.075 1.00 0.51 C ATOM 0 H PHE A 26 -1.517 0.267 -3.518 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.468 -2.301 -4.154 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.226 -3.614 -2.371 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.477 -2.251 -1.564 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.366 -0.160 -1.424 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -3.119 -4.351 -1.291 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.460 0.259 -0.216 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.214 -3.933 -0.081 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.888 -1.628 0.456 1.00 0.51 H new ATOM 407 N SER A 27 -3.030 -3.057 -4.558 1.00 0.35 N ATOM 408 CA SER A 27 -4.305 -3.247 -5.226 1.00 0.39 C ATOM 409 C SER A 27 -4.864 -4.634 -4.942 1.00 0.40 C ATOM 410 O SER A 27 -4.158 -5.635 -5.048 1.00 0.40 O ATOM 411 CB SER A 27 -4.178 -3.043 -6.736 1.00 0.42 C ATOM 412 OG SER A 27 -5.432 -2.674 -7.295 1.00 0.96 O ATOM 0 H SER A 27 -2.538 -3.924 -4.341 1.00 0.35 H new ATOM 0 HA SER A 27 -4.992 -2.499 -4.832 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.439 -2.269 -6.944 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.820 -3.960 -7.204 1.00 0.42 H new ATOM 0 HG SER A 27 -5.894 -2.061 -6.686 1.00 0.96 H new ATOM 418 N PHE A 28 -6.143 -4.681 -4.587 1.00 0.45 N ATOM 419 CA PHE A 28 -6.815 -5.943 -4.307 1.00 0.48 C ATOM 420 C PHE A 28 -7.019 -6.718 -5.602 1.00 0.50 C ATOM 421 O PHE A 28 -7.277 -7.919 -5.592 1.00 0.54 O ATOM 422 CB PHE A 28 -8.169 -5.691 -3.640 1.00 0.53 C ATOM 423 CG PHE A 28 -8.086 -4.933 -2.345 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.753 -5.585 -1.170 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.345 -3.575 -2.301 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.679 -4.897 0.022 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.271 -2.878 -1.110 1.00 0.62 C ATOM 428 CZ PHE A 28 -7.939 -3.540 0.055 1.00 0.60 C ATOM 0 H PHE A 28 -6.736 -3.857 -4.486 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.192 -6.526 -3.629 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.805 -5.138 -4.332 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.655 -6.649 -3.457 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.549 -6.645 -1.188 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.608 -3.053 -3.209 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.418 -5.419 0.931 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.473 -1.817 -1.091 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.883 -3.000 0.988 1.00 0.60 H new ATOM 438 N PHE A 29 -6.894 -6.010 -6.720 1.00 0.51 N ATOM 439 CA PHE A 29 -7.069 -6.601 -8.037 1.00 0.55 C ATOM 440 C PHE A 29 -5.775 -7.234 -8.537 1.00 0.50 C ATOM 441 O PHE A 29 -5.748 -7.851 -9.602 1.00 0.58 O ATOM 442 CB PHE A 29 -7.531 -5.534 -9.025 1.00 0.59 C ATOM 443 CG PHE A 29 -8.872 -4.939 -8.694 1.00 0.89 C ATOM 444 CD1 PHE A 29 -10.040 -5.614 -9.009 1.00 1.21 C ATOM 445 CD2 PHE A 29 -8.964 -3.703 -8.076 1.00 1.17 C ATOM 446 CE1 PHE A 29 -11.276 -5.068 -8.714 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.197 -3.151 -7.778 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.354 -3.836 -8.098 1.00 1.78 C ATOM 0 H PHE A 29 -6.670 -5.015 -6.736 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.824 -7.383 -7.958 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.788 -4.737 -9.058 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.574 -5.971 -10.023 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -9.985 -6.579 -9.491 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -8.063 -3.164 -7.824 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -12.179 -5.605 -8.965 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -10.255 -2.186 -7.296 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.318 -3.407 -7.866 1.00 1.78 H new ATOM 458 N CYS A 30 -4.709 -7.082 -7.766 1.00 0.46 N ATOM 459 CA CYS A 30 -3.414 -7.620 -8.146 1.00 0.44 C ATOM 460 C CYS A 30 -2.968 -8.700 -7.165 1.00 0.45 C ATOM 461 O CYS A 30 -2.859 -8.451 -5.959 1.00 0.44 O ATOM 462 CB CYS A 30 -2.377 -6.496 -8.205 1.00 0.41 C ATOM 463 SG CYS A 30 -0.724 -7.040 -8.697 1.00 0.48 S ATOM 0 H CYS A 30 -4.716 -6.590 -6.873 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.504 -8.073 -9.134 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.721 -5.736 -8.906 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.315 -6.022 -7.225 1.00 0.41 H new ATOM 0 HG CYS A 30 0.153 -6.582 -7.853 1.00 0.48 H new ATOM 469 N PRO A 31 -2.701 -9.915 -7.666 1.00 0.51 N ATOM 470 CA PRO A 31 -2.262 -11.034 -6.824 1.00 0.56 C ATOM 471 C PRO A 31 -0.887 -10.785 -6.213 1.00 0.50 C ATOM 472 O PRO A 31 -0.548 -11.340 -5.166 1.00 0.50 O ATOM 473 CB PRO A 31 -2.210 -12.222 -7.788 1.00 0.67 C ATOM 474 CG PRO A 31 -2.095 -11.622 -9.145 1.00 0.70 C ATOM 475 CD PRO A 31 -2.807 -10.299 -9.087 1.00 0.58 C ATOM 0 HA PRO A 31 -2.932 -11.192 -5.979 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.360 -12.868 -7.570 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -3.107 -12.836 -7.704 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -1.050 -11.488 -9.423 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.544 -12.272 -9.896 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.338 -9.562 -9.738 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.846 -10.388 -9.403 1.00 0.58 H new ATOM 483 N HIS A 32 -0.106 -9.926 -6.862 1.00 0.49 N ATOM 484 CA HIS A 32 1.230 -9.598 -6.382 1.00 0.48 C ATOM 485 C HIS A 32 1.150 -8.982 -4.995 1.00 0.39 C ATOM 486 O HIS A 32 1.971 -9.266 -4.127 1.00 0.42 O ATOM 487 CB HIS A 32 1.923 -8.628 -7.342 1.00 0.57 C ATOM 488 CG HIS A 32 3.274 -9.083 -7.797 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.301 -8.218 -8.125 1.00 1.63 N ATOM 490 CD2 HIS A 32 3.764 -10.328 -7.985 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.359 -8.917 -8.490 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.058 -10.196 -8.418 1.00 1.42 N ATOM 0 H HIS A 32 -0.376 -9.446 -7.720 1.00 0.49 H new ATOM 0 HA HIS A 32 1.814 -10.517 -6.332 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.287 -8.481 -8.215 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.023 -7.659 -6.854 1.00 0.57 H new ATOM 0 HD1 HIS A 32 4.249 -7.200 -8.090 1.00 1.63 H new ATOM 0 HD2 HIS A 32 3.234 -11.255 -7.824 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.311 -8.509 -8.796 1.00 1.74 H new ATOM 501 N CYS A 33 0.139 -8.150 -4.786 1.00 0.37 N ATOM 502 CA CYS A 33 -0.050 -7.502 -3.502 1.00 0.32 C ATOM 503 C CYS A 33 -0.524 -8.505 -2.456 1.00 0.32 C ATOM 504 O CYS A 33 -0.144 -8.421 -1.296 1.00 0.29 O ATOM 505 CB CYS A 33 -1.049 -6.356 -3.622 1.00 0.34 C ATOM 506 SG CYS A 33 -0.634 -5.157 -4.908 1.00 0.36 S ATOM 0 H CYS A 33 -0.560 -7.910 -5.489 1.00 0.37 H new ATOM 0 HA CYS A 33 0.910 -7.096 -3.183 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -2.037 -6.768 -3.828 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.112 -5.840 -2.664 1.00 0.34 H new ATOM 0 HG CYS A 33 0.275 -4.341 -4.463 1.00 0.36 H new ATOM 512 N TYR A 34 -1.333 -9.473 -2.880 1.00 0.40 N ATOM 513 CA TYR A 34 -1.849 -10.493 -1.972 1.00 0.44 C ATOM 514 C TYR A 34 -0.701 -11.326 -1.395 1.00 0.41 C ATOM 515 O TYR A 34 -0.652 -11.598 -0.192 1.00 0.41 O ATOM 516 CB TYR A 34 -2.848 -11.402 -2.699 1.00 0.55 C ATOM 517 CG TYR A 34 -3.490 -12.456 -1.813 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.319 -12.099 -0.754 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.264 -13.810 -2.038 1.00 0.94 C ATOM 520 CE1 TYR A 34 -4.904 -13.064 0.050 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.843 -14.776 -1.240 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.662 -14.401 -0.197 1.00 0.73 C ATOM 523 OH TYR A 34 -5.240 -15.365 0.598 1.00 0.85 O ATOM 0 H TYR A 34 -1.645 -9.572 -3.846 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.364 -9.993 -1.152 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.632 -10.784 -3.136 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.337 -11.899 -3.523 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.509 -11.055 -0.556 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.623 -14.111 -2.853 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.547 -12.772 0.867 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.655 -15.822 -1.432 1.00 1.02 H new ATOM 0 HH TYR A 34 -5.974 -14.968 1.112 1.00 0.85 H new ATOM 533 N GLN A 35 0.230 -11.713 -2.259 1.00 0.44 N ATOM 534 CA GLN A 35 1.376 -12.510 -1.845 1.00 0.47 C ATOM 535 C GLN A 35 2.277 -11.702 -0.920 1.00 0.37 C ATOM 536 O GLN A 35 2.826 -12.224 0.044 1.00 0.39 O ATOM 537 CB GLN A 35 2.162 -12.982 -3.071 1.00 0.61 C ATOM 538 CG GLN A 35 3.008 -14.218 -2.814 1.00 1.02 C ATOM 539 CD GLN A 35 3.651 -14.761 -4.077 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.030 -15.508 -4.832 1.00 1.89 O ATOM 541 NE2 GLN A 35 4.908 -14.404 -4.307 1.00 2.27 N ATOM 0 H GLN A 35 0.212 -11.486 -3.253 1.00 0.44 H new ATOM 0 HA GLN A 35 1.015 -13.384 -1.302 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.463 -13.192 -3.881 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.809 -12.173 -3.410 1.00 0.61 H new ATOM 0 HG2 GLN A 35 3.786 -13.976 -2.090 1.00 1.02 H new ATOM 0 HG3 GLN A 35 2.385 -14.993 -2.366 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.389 -13.782 -3.657 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.394 -14.751 -5.134 1.00 2.27 H new ATOM 550 N PHE A 36 2.394 -10.416 -1.201 1.00 0.33 N ATOM 551 CA PHE A 36 3.234 -9.538 -0.398 1.00 0.29 C ATOM 552 C PHE A 36 2.552 -9.160 0.916 1.00 0.23 C ATOM 553 O PHE A 36 3.219 -8.874 1.910 1.00 0.29 O ATOM 554 CB PHE A 36 3.586 -8.274 -1.192 1.00 0.34 C ATOM 555 CG PHE A 36 4.765 -8.444 -2.116 1.00 0.45 C ATOM 556 CD1 PHE A 36 4.829 -9.510 -3.004 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.808 -7.532 -2.099 1.00 0.64 C ATOM 558 CE1 PHE A 36 5.908 -9.662 -3.853 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.892 -7.679 -2.945 1.00 0.83 C ATOM 560 CZ PHE A 36 6.942 -8.745 -3.824 1.00 0.87 C ATOM 0 H PHE A 36 1.920 -9.955 -1.977 1.00 0.33 H new ATOM 0 HA PHE A 36 4.149 -10.079 -0.157 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.718 -7.971 -1.778 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.798 -7.465 -0.493 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.024 -10.230 -3.031 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.774 -6.696 -1.416 1.00 0.64 H new ATOM 0 HE1 PHE A 36 5.944 -10.496 -4.538 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.699 -6.962 -2.919 1.00 0.83 H new ATOM 0 HZ PHE A 36 7.787 -8.861 -4.486 1.00 0.87 H new ATOM 570 N GLU A 37 1.226 -9.191 0.920 1.00 0.25 N ATOM 571 CA GLU A 37 0.445 -8.823 2.096 1.00 0.36 C ATOM 572 C GLU A 37 0.282 -9.985 3.082 1.00 0.30 C ATOM 573 O GLU A 37 0.557 -9.832 4.266 1.00 0.46 O ATOM 574 CB GLU A 37 -0.936 -8.310 1.666 1.00 0.54 C ATOM 575 CG GLU A 37 -1.621 -7.433 2.704 1.00 0.95 C ATOM 576 CD GLU A 37 -1.044 -6.032 2.754 1.00 1.33 C ATOM 577 OE1 GLU A 37 -1.541 -5.154 2.013 1.00 1.87 O ATOM 578 OE2 GLU A 37 -0.095 -5.803 3.534 1.00 1.89 O1- ATOM 0 H GLU A 37 0.664 -9.469 0.116 1.00 0.25 H new ATOM 0 HA GLU A 37 0.994 -8.035 2.612 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.830 -7.744 0.740 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.577 -9.164 1.446 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -2.686 -7.376 2.480 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.526 -7.897 3.686 1.00 0.95 H new ATOM 585 N GLU A 38 -0.146 -11.148 2.599 1.00 0.30 N ATOM 586 CA GLU A 38 -0.373 -12.292 3.486 1.00 0.37 C ATOM 587 C GLU A 38 0.804 -13.275 3.524 1.00 0.34 C ATOM 588 O GLU A 38 1.221 -13.706 4.597 1.00 0.50 O ATOM 589 CB GLU A 38 -1.657 -13.024 3.086 1.00 0.55 C ATOM 590 CG GLU A 38 -2.104 -14.088 4.084 1.00 0.99 C ATOM 591 CD GLU A 38 -1.880 -13.686 5.535 1.00 1.34 C ATOM 592 OE1 GLU A 38 -2.154 -12.521 5.895 1.00 1.89 O ATOM 593 OE2 GLU A 38 -1.433 -14.544 6.328 1.00 2.00 O1- ATOM 0 H GLU A 38 -0.341 -11.325 1.614 1.00 0.30 H new ATOM 0 HA GLU A 38 -0.473 -11.887 4.493 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.457 -12.293 2.967 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.507 -13.493 2.114 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.163 -14.297 3.932 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -1.564 -15.014 3.883 1.00 0.99 H new ATOM 600 N VAL A 39 1.342 -13.636 2.377 1.00 0.33 N ATOM 601 CA VAL A 39 2.446 -14.587 2.356 1.00 0.37 C ATOM 602 C VAL A 39 3.714 -13.963 2.933 1.00 0.31 C ATOM 603 O VAL A 39 4.337 -14.520 3.836 1.00 0.43 O ATOM 604 CB VAL A 39 2.722 -15.119 0.934 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.835 -16.156 0.954 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.455 -15.706 0.330 1.00 0.58 C ATOM 0 H VAL A 39 1.044 -13.297 1.462 1.00 0.33 H new ATOM 0 HA VAL A 39 2.149 -15.431 2.979 1.00 0.37 H new ATOM 0 HB VAL A 39 3.046 -14.284 0.313 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.013 -16.518 -0.059 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.747 -15.704 1.344 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.543 -16.991 1.591 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.668 -16.076 -0.673 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.102 -16.528 0.953 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.686 -14.935 0.276 1.00 0.58 H new ATOM 616 N LEU A 40 4.078 -12.800 2.422 1.00 0.24 N ATOM 617 CA LEU A 40 5.273 -12.114 2.890 1.00 0.24 C ATOM 618 C LEU A 40 4.984 -11.241 4.106 1.00 0.23 C ATOM 619 O LEU A 40 5.819 -11.135 5.005 1.00 0.27 O ATOM 620 CB LEU A 40 5.864 -11.259 1.770 1.00 0.26 C ATOM 621 CG LEU A 40 6.227 -12.012 0.490 1.00 0.31 C ATOM 622 CD1 LEU A 40 6.908 -11.080 -0.495 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.126 -13.202 0.800 1.00 0.41 C ATOM 0 H LEU A 40 3.567 -12.311 1.687 1.00 0.24 H new ATOM 0 HA LEU A 40 5.993 -12.877 3.187 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.150 -10.475 1.519 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.760 -10.766 2.147 1.00 0.26 H new ATOM 0 HG LEU A 40 5.307 -12.386 0.040 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.161 -11.630 -1.401 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.235 -10.259 -0.744 1.00 0.35 H new ATOM 0 HD13 LEU A 40 7.818 -10.680 -0.048 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.372 -13.723 -0.125 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.043 -12.852 1.274 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.607 -13.884 1.474 1.00 0.41 H new ATOM 635 N HIS A 41 3.793 -10.636 4.133 1.00 0.20 N ATOM 636 CA HIS A 41 3.386 -9.746 5.224 1.00 0.23 C ATOM 637 C HIS A 41 4.345 -8.566 5.305 1.00 0.22 C ATOM 638 O HIS A 41 4.726 -8.145 6.391 1.00 0.28 O ATOM 639 CB HIS A 41 3.351 -10.486 6.577 1.00 0.30 C ATOM 640 CG HIS A 41 1.970 -10.800 7.081 1.00 0.42 C ATOM 641 ND1 HIS A 41 1.397 -10.207 8.194 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.044 -11.660 6.606 1.00 0.62 C ATOM 643 CE1 HIS A 41 0.177 -10.693 8.364 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.057 -11.577 7.412 1.00 0.68 N ATOM 0 H HIS A 41 3.088 -10.748 3.404 1.00 0.20 H new ATOM 0 HA HIS A 41 2.378 -9.390 5.012 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.910 -11.417 6.482 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.867 -9.880 7.322 1.00 0.30 H new ATOM 0 HD2 HIS A 41 1.154 -12.300 5.743 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -0.510 -10.413 9.149 1.00 0.84 H new ATOM 0 HE2 HIS A 41 -0.918 -12.111 7.297 1.00 0.68 H new ATOM 653 N ILE A 42 4.716 -8.037 4.138 1.00 0.23 N ATOM 654 CA ILE A 42 5.655 -6.920 4.044 1.00 0.26 C ATOM 655 C ILE A 42 5.222 -5.730 4.897 1.00 0.27 C ATOM 656 O ILE A 42 5.862 -5.422 5.901 1.00 0.31 O ATOM 657 CB ILE A 42 5.833 -6.453 2.580 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.331 -7.604 1.701 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.798 -5.276 2.505 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.716 -8.105 2.069 1.00 0.41 C ATOM 0 H ILE A 42 4.375 -8.369 3.236 1.00 0.23 H new ATOM 0 HA ILE A 42 6.606 -7.293 4.424 1.00 0.26 H new ATOM 0 HB ILE A 42 4.861 -6.129 2.208 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.626 -8.432 1.770 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.338 -7.277 0.661 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.910 -4.963 1.467 1.00 0.37 H new ATOM 0 HG22 ILE A 42 6.407 -4.447 3.094 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.769 -5.576 2.900 1.00 0.37 H new ATOM 0 HD11 ILE A 42 7.998 -8.919 1.402 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.435 -7.291 1.972 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.711 -8.464 3.098 1.00 0.41 H new ATOM 672 N SER A 43 4.133 -5.086 4.501 1.00 0.33 N ATOM 673 CA SER A 43 3.617 -3.915 5.200 1.00 0.39 C ATOM 674 C SER A 43 3.444 -4.173 6.694 1.00 0.38 C ATOM 675 O SER A 43 3.850 -3.363 7.527 1.00 0.45 O ATOM 676 CB SER A 43 2.285 -3.514 4.583 1.00 0.50 C ATOM 677 OG SER A 43 2.313 -3.709 3.185 1.00 1.03 O ATOM 0 H SER A 43 3.582 -5.359 3.687 1.00 0.33 H new ATOM 0 HA SER A 43 4.341 -3.107 5.093 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.481 -4.104 5.023 1.00 0.50 H new ATOM 0 HB3 SER A 43 2.073 -2.468 4.807 1.00 0.50 H new ATOM 0 HG SER A 43 2.922 -3.059 2.776 1.00 1.03 H new ATOM 683 N ASP A 44 2.863 -5.315 7.019 1.00 0.37 N ATOM 684 CA ASP A 44 2.614 -5.686 8.405 1.00 0.44 C ATOM 685 C ASP A 44 3.919 -5.901 9.173 1.00 0.41 C ATOM 686 O ASP A 44 3.986 -5.669 10.381 1.00 0.52 O ATOM 687 CB ASP A 44 1.753 -6.941 8.455 1.00 0.51 C ATOM 688 CG ASP A 44 1.197 -7.196 9.835 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.544 -6.285 10.394 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 1.404 -8.309 10.360 1.00 1.73 O ATOM 0 H ASP A 44 2.552 -6.007 6.338 1.00 0.37 H new ATOM 0 HA ASP A 44 2.083 -4.865 8.887 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.931 -6.844 7.746 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.346 -7.799 8.140 1.00 0.51 H new ATOM 695 N ASN A 45 4.960 -6.327 8.465 1.00 0.33 N ATOM 696 CA ASN A 45 6.262 -6.564 9.079 1.00 0.37 C ATOM 697 C ASN A 45 6.983 -5.244 9.309 1.00 0.39 C ATOM 698 O ASN A 45 7.661 -5.063 10.324 1.00 0.48 O ATOM 699 CB ASN A 45 7.116 -7.479 8.197 1.00 0.38 C ATOM 700 CG ASN A 45 7.788 -8.590 8.980 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.199 -8.405 10.126 1.00 1.19 O ATOM 702 ND2 ASN A 45 7.895 -9.759 8.367 1.00 1.12 N ATOM 0 H ASN A 45 4.927 -6.516 7.463 1.00 0.33 H new ATOM 0 HA ASN A 45 6.104 -7.055 10.039 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.489 -7.916 7.420 1.00 0.38 H new ATOM 0 HB3 ASN A 45 7.878 -6.883 7.694 1.00 0.38 H new ATOM 0 HD21 ASN A 45 8.331 -10.548 8.845 1.00 1.12 H new ATOM 0 HD22 ASN A 45 7.541 -9.871 7.417 1.00 1.12 H new ATOM 709 N VAL A 46 6.818 -4.319 8.367 1.00 0.33 N ATOM 710 CA VAL A 46 7.443 -3.004 8.458 1.00 0.36 C ATOM 711 C VAL A 46 6.968 -2.267 9.711 1.00 0.43 C ATOM 712 O VAL A 46 7.742 -1.559 10.352 1.00 0.49 O ATOM 713 CB VAL A 46 7.147 -2.140 7.210 1.00 0.33 C ATOM 714 CG1 VAL A 46 7.886 -0.813 7.272 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.510 -2.888 5.935 1.00 0.31 C ATOM 0 H VAL A 46 6.254 -4.458 7.529 1.00 0.33 H new ATOM 0 HA VAL A 46 8.519 -3.165 8.516 1.00 0.36 H new ATOM 0 HB VAL A 46 6.077 -1.933 7.198 1.00 0.33 H new ATOM 0 HG11 VAL A 46 7.658 -0.228 6.381 1.00 0.43 H new ATOM 0 HG12 VAL A 46 7.571 -0.262 8.158 1.00 0.43 H new ATOM 0 HG13 VAL A 46 8.959 -0.996 7.321 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.293 -2.260 5.071 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.572 -3.134 5.947 1.00 0.31 H new ATOM 0 HG23 VAL A 46 6.925 -3.806 5.873 1.00 0.31 H new ATOM 725 N LYS A 47 5.702 -2.467 10.071 1.00 0.46 N ATOM 726 CA LYS A 47 5.130 -1.829 11.253 1.00 0.56 C ATOM 727 C LYS A 47 5.932 -2.165 12.514 1.00 0.60 C ATOM 728 O LYS A 47 6.097 -1.328 13.395 1.00 0.70 O ATOM 729 CB LYS A 47 3.685 -2.283 11.483 1.00 0.61 C ATOM 730 CG LYS A 47 2.764 -2.180 10.278 1.00 0.70 C ATOM 731 CD LYS A 47 1.345 -2.586 10.664 1.00 0.88 C ATOM 732 CE LYS A 47 0.459 -2.863 9.457 1.00 1.14 C ATOM 733 NZ LYS A 47 -0.628 -3.824 9.789 1.00 1.53 N1+ ATOM 0 H LYS A 47 5.053 -3.066 9.561 1.00 0.46 H new ATOM 0 HA LYS A 47 5.161 -0.755 11.068 1.00 0.56 H new ATOM 0 HB2 LYS A 47 3.698 -3.319 11.820 1.00 0.61 H new ATOM 0 HB3 LYS A 47 3.261 -1.690 12.293 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.767 -1.159 9.895 1.00 0.70 H new ATOM 0 HG3 LYS A 47 3.129 -2.822 9.476 1.00 0.70 H new ATOM 0 HD2 LYS A 47 1.385 -3.477 11.291 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.896 -1.794 11.264 1.00 0.88 H new ATOM 0 HE2 LYS A 47 0.024 -1.929 9.101 1.00 1.14 H new ATOM 0 HE3 LYS A 47 1.064 -3.263 8.644 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -1.385 -3.751 9.079 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -0.247 -4.792 9.791 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -1.013 -3.601 10.729 1.00 1.53 H new ATOM 747 N LYS A 48 6.428 -3.396 12.584 1.00 0.55 N ATOM 748 CA LYS A 48 7.184 -3.864 13.746 1.00 0.62 C ATOM 749 C LYS A 48 8.618 -3.340 13.747 1.00 0.61 C ATOM 750 O LYS A 48 9.341 -3.483 14.735 1.00 0.77 O ATOM 751 CB LYS A 48 7.193 -5.392 13.784 1.00 0.71 C ATOM 752 CG LYS A 48 5.840 -5.997 14.143 1.00 0.83 C ATOM 753 CD LYS A 48 5.832 -7.514 14.004 1.00 0.98 C ATOM 754 CE LYS A 48 5.997 -7.945 12.556 1.00 1.52 C ATOM 755 NZ LYS A 48 5.879 -9.420 12.391 1.00 2.02 N1+ ATOM 0 H LYS A 48 6.320 -4.093 11.847 1.00 0.55 H new ATOM 0 HA LYS A 48 6.688 -3.475 14.635 1.00 0.62 H new ATOM 0 HB2 LYS A 48 7.505 -5.770 12.811 1.00 0.71 H new ATOM 0 HB3 LYS A 48 7.936 -5.726 14.509 1.00 0.71 H new ATOM 0 HG2 LYS A 48 5.583 -5.727 15.167 1.00 0.83 H new ATOM 0 HG3 LYS A 48 5.071 -5.571 13.499 1.00 0.83 H new ATOM 0 HD2 LYS A 48 6.636 -7.939 14.604 1.00 0.98 H new ATOM 0 HD3 LYS A 48 4.896 -7.911 14.398 1.00 0.98 H new ATOM 0 HE2 LYS A 48 5.243 -7.451 11.944 1.00 1.52 H new ATOM 0 HE3 LYS A 48 6.970 -7.617 12.190 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 5.998 -9.668 11.388 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 6.615 -9.892 12.954 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 4.941 -9.732 12.716 1.00 2.02 H new ATOM 769 N LYS A 49 9.028 -2.745 12.642 1.00 0.53 N ATOM 770 CA LYS A 49 10.370 -2.204 12.530 1.00 0.54 C ATOM 771 C LYS A 49 10.358 -0.692 12.701 1.00 0.52 C ATOM 772 O LYS A 49 11.306 -0.114 13.231 1.00 0.64 O ATOM 773 CB LYS A 49 10.986 -2.576 11.185 1.00 0.58 C ATOM 774 CG LYS A 49 11.539 -3.990 11.146 1.00 0.78 C ATOM 775 CD LYS A 49 12.259 -4.268 9.839 1.00 0.87 C ATOM 776 CE LYS A 49 12.890 -5.648 9.824 1.00 1.19 C ATOM 777 NZ LYS A 49 14.083 -5.720 10.707 1.00 1.44 N1+ ATOM 0 H LYS A 49 8.451 -2.624 11.809 1.00 0.53 H new ATOM 0 HA LYS A 49 10.977 -2.637 13.325 1.00 0.54 H new ATOM 0 HB2 LYS A 49 10.232 -2.467 10.406 1.00 0.58 H new ATOM 0 HB3 LYS A 49 11.787 -1.874 10.954 1.00 0.58 H new ATOM 0 HG2 LYS A 49 12.226 -4.137 11.980 1.00 0.78 H new ATOM 0 HG3 LYS A 49 10.725 -4.704 11.274 1.00 0.78 H new ATOM 0 HD2 LYS A 49 11.555 -4.181 9.011 1.00 0.87 H new ATOM 0 HD3 LYS A 49 13.030 -3.514 9.682 1.00 0.87 H new ATOM 0 HE2 LYS A 49 12.156 -6.387 10.145 1.00 1.19 H new ATOM 0 HE3 LYS A 49 13.177 -5.905 8.804 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 14.573 -6.624 10.555 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 14.728 -4.935 10.484 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 13.784 -5.651 11.701 1.00 1.44 H new ATOM 791 N LEU A 50 9.277 -0.060 12.252 1.00 0.53 N ATOM 792 CA LEU A 50 9.137 1.384 12.354 1.00 0.54 C ATOM 793 C LEU A 50 8.968 1.811 13.806 1.00 0.54 C ATOM 794 O LEU A 50 8.147 1.251 14.538 1.00 0.59 O ATOM 795 CB LEU A 50 7.943 1.869 11.534 1.00 0.60 C ATOM 796 CG LEU A 50 8.029 1.588 10.035 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.739 1.989 9.341 1.00 1.00 C ATOM 798 CD2 LEU A 50 9.217 2.308 9.411 1.00 0.91 C ATOM 0 H LEU A 50 8.485 -0.529 11.813 1.00 0.53 H new ATOM 0 HA LEU A 50 10.047 1.835 11.958 1.00 0.54 H new ATOM 0 HB2 LEU A 50 7.040 1.400 11.924 1.00 0.60 H new ATOM 0 HB3 LEU A 50 7.834 2.944 11.681 1.00 0.60 H new ATOM 0 HG LEU A 50 8.175 0.516 9.902 1.00 0.64 H new ATOM 0 HD11 LEU A 50 6.820 1.781 8.274 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.909 1.420 9.760 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.561 3.054 9.491 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.254 2.091 8.344 1.00 0.91 H new ATOM 0 HD22 LEU A 50 9.110 3.383 9.559 1.00 0.91 H new ATOM 0 HD23 LEU A 50 10.138 1.967 9.883 1.00 0.91 H new ATOM 810 N PRO A 51 9.761 2.792 14.243 1.00 0.57 N ATOM 811 CA PRO A 51 9.696 3.310 15.611 1.00 0.64 C ATOM 812 C PRO A 51 8.460 4.181 15.853 1.00 0.63 C ATOM 813 O PRO A 51 7.562 4.267 15.011 1.00 0.66 O ATOM 814 CB PRO A 51 10.969 4.146 15.729 1.00 0.73 C ATOM 815 CG PRO A 51 11.301 4.559 14.337 1.00 0.74 C ATOM 816 CD PRO A 51 10.804 3.459 13.440 1.00 0.61 C ATOM 0 HA PRO A 51 9.622 2.508 16.346 1.00 0.64 H new ATOM 0 HB2 PRO A 51 10.811 5.014 16.369 1.00 0.73 H new ATOM 0 HB3 PRO A 51 11.780 3.567 16.171 1.00 0.73 H new ATOM 0 HG2 PRO A 51 10.825 5.508 14.089 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.375 4.701 14.219 1.00 0.74 H new ATOM 0 HD2 PRO A 51 10.399 3.855 12.509 1.00 0.61 H new ATOM 0 HD3 PRO A 51 11.604 2.769 13.172 1.00 0.61 H new ATOM 824 N GLU A 52 8.429 4.824 17.011 1.00 0.71 N ATOM 825 CA GLU A 52 7.321 5.691 17.387 1.00 0.76 C ATOM 826 C GLU A 52 7.276 6.938 16.509 1.00 0.75 C ATOM 827 O GLU A 52 8.312 7.417 16.041 1.00 0.82 O ATOM 828 CB GLU A 52 7.450 6.095 18.858 1.00 0.88 C ATOM 829 CG GLU A 52 8.813 6.667 19.209 1.00 1.52 C ATOM 830 CD GLU A 52 8.812 7.416 20.523 1.00 1.98 C ATOM 831 OE1 GLU A 52 8.751 6.763 21.585 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 8.867 8.665 20.496 1.00 2.63 O ATOM 0 H GLU A 52 9.166 4.761 17.713 1.00 0.71 H new ATOM 0 HA GLU A 52 6.393 5.138 17.242 1.00 0.76 H new ATOM 0 HB2 GLU A 52 6.683 6.833 19.093 1.00 0.88 H new ATOM 0 HB3 GLU A 52 7.257 5.224 19.485 1.00 0.88 H new ATOM 0 HG2 GLU A 52 9.541 5.857 19.258 1.00 1.52 H new ATOM 0 HG3 GLU A 52 9.136 7.338 18.413 1.00 1.52 H new ATOM 839 N GLY A 53 6.075 7.451 16.279 1.00 0.76 N ATOM 840 CA GLY A 53 5.916 8.642 15.466 1.00 0.77 C ATOM 841 C GLY A 53 5.813 8.343 13.981 1.00 0.72 C ATOM 842 O GLY A 53 5.344 9.180 13.204 1.00 0.82 O ATOM 0 H GLY A 53 5.205 7.062 16.642 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.021 9.175 15.786 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.762 9.307 15.638 1.00 0.77 H new ATOM 846 N VAL A 54 6.257 7.162 13.582 1.00 0.69 N ATOM 847 CA VAL A 54 6.217 6.761 12.183 1.00 0.65 C ATOM 848 C VAL A 54 4.899 6.063 11.858 1.00 0.65 C ATOM 849 O VAL A 54 4.441 5.193 12.598 1.00 0.74 O ATOM 850 CB VAL A 54 7.397 5.830 11.823 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.544 5.702 10.318 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.691 6.340 12.439 1.00 1.03 C ATOM 0 H VAL A 54 6.651 6.461 14.209 1.00 0.69 H new ATOM 0 HA VAL A 54 6.301 7.669 11.586 1.00 0.65 H new ATOM 0 HB VAL A 54 7.184 4.843 12.232 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.381 5.042 10.089 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.628 5.287 9.897 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.729 6.685 9.886 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.509 5.670 12.173 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.904 7.340 12.062 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.589 6.375 13.524 1.00 1.03 H new ATOM 862 N LYS A 55 4.282 6.470 10.756 1.00 0.64 N ATOM 863 CA LYS A 55 3.018 5.892 10.335 1.00 0.66 C ATOM 864 C LYS A 55 3.076 5.513 8.858 1.00 0.58 C ATOM 865 O LYS A 55 3.677 6.225 8.047 1.00 0.61 O ATOM 866 CB LYS A 55 1.872 6.882 10.593 1.00 0.76 C ATOM 867 CG LYS A 55 0.492 6.338 10.248 1.00 1.35 C ATOM 868 CD LYS A 55 -0.606 7.319 10.626 1.00 1.43 C ATOM 869 CE LYS A 55 -0.880 7.299 12.119 1.00 2.21 C ATOM 870 NZ LYS A 55 -1.815 8.375 12.523 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.639 7.199 10.139 1.00 0.64 H new ATOM 0 HA LYS A 55 2.833 4.988 10.916 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.885 7.170 11.644 1.00 0.76 H new ATOM 0 HB3 LYS A 55 2.050 7.787 10.012 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.440 6.127 9.180 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.332 5.394 10.768 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.317 8.325 10.321 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -1.519 7.072 10.084 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -1.297 6.332 12.399 1.00 2.21 H new ATOM 0 HE3 LYS A 55 0.059 7.411 12.662 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -1.976 8.327 13.549 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -1.406 9.300 12.279 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -2.720 8.254 12.024 1.00 2.51 H new ATOM 884 N MET A 56 2.463 4.385 8.518 1.00 0.55 N ATOM 885 CA MET A 56 2.440 3.907 7.138 1.00 0.50 C ATOM 886 C MET A 56 1.217 4.434 6.398 1.00 0.47 C ATOM 887 O MET A 56 0.106 4.415 6.922 1.00 0.59 O ATOM 888 CB MET A 56 2.435 2.377 7.090 1.00 0.57 C ATOM 889 CG MET A 56 3.691 1.740 7.652 1.00 0.85 C ATOM 890 SD MET A 56 3.761 -0.035 7.350 1.00 1.09 S ATOM 891 CE MET A 56 4.047 -0.068 5.581 1.00 1.28 C ATOM 0 H MET A 56 1.974 3.782 9.180 1.00 0.55 H new ATOM 0 HA MET A 56 3.341 4.279 6.650 1.00 0.50 H new ATOM 0 HB2 MET A 56 1.573 2.009 7.646 1.00 0.57 H new ATOM 0 HB3 MET A 56 2.308 2.056 6.056 1.00 0.57 H new ATOM 0 HG2 MET A 56 4.565 2.215 7.208 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.739 1.925 8.725 1.00 0.85 H new ATOM 0 HE1 MET A 56 3.149 -0.421 5.074 1.00 1.28 H new ATOM 0 HE2 MET A 56 4.290 0.936 5.233 1.00 1.28 H new ATOM 0 HE3 MET A 56 4.876 -0.740 5.359 1.00 1.28 H new ATOM 901 N THR A 57 1.434 4.918 5.186 1.00 0.42 N ATOM 902 CA THR A 57 0.357 5.441 4.367 1.00 0.43 C ATOM 903 C THR A 57 0.157 4.561 3.136 1.00 0.41 C ATOM 904 O THR A 57 0.846 4.709 2.127 1.00 0.47 O ATOM 905 CB THR A 57 0.649 6.892 3.942 1.00 0.48 C ATOM 906 OG1 THR A 57 1.429 7.539 4.958 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.643 7.661 3.732 1.00 0.61 C ATOM 0 H THR A 57 2.354 4.959 4.747 1.00 0.42 H new ATOM 0 HA THR A 57 -0.558 5.435 4.959 1.00 0.43 H new ATOM 0 HB THR A 57 1.201 6.875 3.002 1.00 0.48 H new ATOM 0 HG1 THR A 57 1.228 8.498 4.964 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.413 8.683 3.432 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.231 7.178 2.952 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.213 7.675 4.661 1.00 0.61 H new ATOM 915 N LYS A 58 -0.768 3.617 3.247 1.00 0.39 N ATOM 916 CA LYS A 58 -1.061 2.695 2.159 1.00 0.39 C ATOM 917 C LYS A 58 -2.190 3.236 1.283 1.00 0.37 C ATOM 918 O LYS A 58 -3.307 3.444 1.756 1.00 0.43 O ATOM 919 CB LYS A 58 -1.441 1.329 2.740 1.00 0.47 C ATOM 920 CG LYS A 58 -1.367 0.180 1.742 1.00 0.77 C ATOM 921 CD LYS A 58 -1.889 -1.123 2.347 1.00 0.84 C ATOM 922 CE LYS A 58 -0.805 -1.882 3.102 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.178 -2.943 2.267 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.331 3.470 4.085 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.174 2.587 1.535 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -0.782 1.108 3.580 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.455 1.385 3.137 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -1.949 0.429 0.855 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.335 0.044 1.418 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -2.714 -0.902 3.024 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.288 -1.756 1.554 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.038 -1.182 3.434 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.235 -2.332 3.997 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.620 -3.365 2.783 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -0.881 -3.679 2.055 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 0.166 -2.527 1.378 1.00 0.70 H new ATOM 937 N TYR A 59 -1.887 3.475 0.013 1.00 0.36 N ATOM 938 CA TYR A 59 -2.870 3.992 -0.936 1.00 0.39 C ATOM 939 C TYR A 59 -3.183 2.957 -2.014 1.00 0.37 C ATOM 940 O TYR A 59 -2.484 1.951 -2.148 1.00 0.36 O ATOM 941 CB TYR A 59 -2.358 5.280 -1.593 1.00 0.45 C ATOM 942 CG TYR A 59 -2.421 6.519 -0.710 1.00 0.48 C ATOM 943 CD1 TYR A 59 -3.323 6.622 0.350 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.574 7.595 -0.950 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.374 7.761 1.139 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.619 8.734 -0.164 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.518 8.812 0.876 1.00 0.62 C ATOM 948 OH TYR A 59 -2.567 9.949 1.653 1.00 0.71 O ATOM 0 H TYR A 59 -0.962 3.318 -0.387 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.784 4.211 -0.383 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -1.325 5.126 -1.904 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.939 5.466 -2.496 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.992 5.801 0.559 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.867 7.541 -1.765 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -4.079 7.826 1.954 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -0.951 9.558 -0.366 1.00 0.60 H new ATOM 0 HH TYR A 59 -2.882 10.702 1.111 1.00 0.71 H new ATOM 958 N HIS A 60 -4.237 3.203 -2.779 1.00 0.39 N ATOM 959 CA HIS A 60 -4.636 2.293 -3.841 1.00 0.40 C ATOM 960 C HIS A 60 -4.225 2.839 -5.205 1.00 0.42 C ATOM 961 O HIS A 60 -4.428 4.017 -5.492 1.00 0.46 O ATOM 962 CB HIS A 60 -6.154 2.063 -3.807 1.00 0.44 C ATOM 963 CG HIS A 60 -6.616 1.039 -4.794 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.440 1.323 -5.858 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.343 -0.282 -4.880 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.643 0.229 -6.559 1.00 0.51 C ATOM 967 NE2 HIS A 60 -6.981 -0.767 -5.996 1.00 0.57 N ATOM 0 H HIS A 60 -4.831 4.026 -2.683 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.129 1.342 -3.679 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.445 1.750 -2.804 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.663 3.006 -4.006 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.833 2.240 -6.070 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.734 -0.853 -4.195 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.251 0.156 -7.449 1.00 0.51 H new ATOM 976 N VAL A 61 -3.634 1.982 -6.032 1.00 0.44 N ATOM 977 CA VAL A 61 -3.219 2.376 -7.372 1.00 0.48 C ATOM 978 C VAL A 61 -4.432 2.490 -8.290 1.00 0.49 C ATOM 979 O VAL A 61 -5.415 1.766 -8.124 1.00 0.51 O ATOM 980 CB VAL A 61 -2.219 1.373 -7.981 1.00 0.52 C ATOM 981 CG1 VAL A 61 -0.969 1.269 -7.125 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.858 0.004 -8.144 1.00 0.55 C ATOM 0 H VAL A 61 -3.432 1.010 -5.797 1.00 0.44 H new ATOM 0 HA VAL A 61 -2.726 3.344 -7.284 1.00 0.48 H new ATOM 0 HB VAL A 61 -1.934 1.742 -8.966 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.278 0.556 -7.575 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.490 2.246 -7.060 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.240 0.931 -6.125 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -2.133 -0.687 -8.575 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.177 -0.367 -7.170 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.722 0.082 -8.804 1.00 0.55 H new ATOM 992 N ASN A 62 -4.361 3.379 -9.266 1.00 0.54 N ATOM 993 CA ASN A 62 -5.478 3.581 -10.180 1.00 0.57 C ATOM 994 C ASN A 62 -5.165 3.054 -11.579 1.00 0.58 C ATOM 995 O ASN A 62 -5.708 3.537 -12.571 1.00 0.76 O ATOM 996 CB ASN A 62 -5.841 5.067 -10.239 1.00 0.67 C ATOM 997 CG ASN A 62 -7.310 5.314 -9.938 1.00 0.69 C ATOM 998 OD1 ASN A 62 -7.990 4.465 -9.361 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.810 6.483 -10.310 1.00 0.93 N ATOM 0 H ASN A 62 -3.549 3.970 -9.447 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.329 3.016 -9.800 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.229 5.617 -9.525 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -5.604 5.458 -11.229 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.788 6.703 -10.120 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.217 7.163 -10.786 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.284 2.057 -11.660 1.00 0.54 N ATOM 1007 CA PHE A 63 -3.931 1.469 -12.950 1.00 0.55 C ATOM 1008 C PHE A 63 -3.948 -0.057 -12.879 1.00 0.54 C ATOM 1009 O PHE A 63 -3.410 -0.740 -13.754 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.562 1.969 -13.442 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.424 1.776 -12.474 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.791 0.549 -12.353 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -0.980 2.831 -11.695 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.258 0.377 -11.473 1.00 0.70 C ATOM 1015 CE2 PHE A 63 0.068 2.666 -10.811 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.689 1.435 -10.701 1.00 0.74 C ATOM 0 H PHE A 63 -3.807 1.644 -10.858 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.684 1.790 -13.670 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.318 1.455 -14.372 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.643 3.031 -13.676 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.123 -0.284 -12.955 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.459 3.795 -11.780 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.741 -0.585 -11.389 1.00 0.70 H new ATOM 0 HE2 PHE A 63 0.402 3.496 -10.207 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.510 1.303 -10.012 1.00 0.74 H new ATOM 1026 N MET A 64 -4.565 -0.587 -11.830 1.00 0.52 N ATOM 1027 CA MET A 64 -4.658 -2.031 -11.644 1.00 0.53 C ATOM 1028 C MET A 64 -6.052 -2.407 -11.165 1.00 0.55 C ATOM 1029 O MET A 64 -6.386 -2.222 -9.994 1.00 0.60 O ATOM 1030 CB MET A 64 -3.614 -2.529 -10.639 1.00 0.57 C ATOM 1031 CG MET A 64 -2.189 -2.543 -11.176 1.00 0.64 C ATOM 1032 SD MET A 64 -1.592 -4.200 -11.562 1.00 1.06 S ATOM 1033 CE MET A 64 -2.489 -4.540 -13.076 1.00 1.09 C ATOM 0 H MET A 64 -5.009 -0.038 -11.094 1.00 0.52 H new ATOM 0 HA MET A 64 -4.463 -2.507 -12.605 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.650 -1.897 -9.751 1.00 0.57 H new ATOM 0 HB3 MET A 64 -3.882 -3.537 -10.323 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.140 -1.928 -12.074 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.526 -2.087 -10.441 1.00 0.64 H new ATOM 0 HE1 MET A 64 -2.110 -5.458 -13.525 1.00 1.09 H new ATOM 0 HE2 MET A 64 -3.550 -4.656 -12.852 1.00 1.09 H new ATOM 0 HE3 MET A 64 -2.353 -3.713 -13.773 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.858 -2.933 -12.077 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.209 -3.320 -11.731 1.00 0.64 C ATOM 1045 C GLY A 65 -9.228 -2.841 -12.745 1.00 0.66 C ATOM 1046 O GLY A 65 -10.435 -2.930 -12.510 1.00 0.78 O ATOM 0 H GLY A 65 -6.600 -3.098 -13.050 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.263 -4.406 -11.651 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.459 -2.916 -10.750 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.747 -2.325 -13.868 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.638 -1.836 -14.905 1.00 0.71 C ATOM 1052 C GLY A 66 -10.381 -0.586 -14.484 1.00 0.75 C ATOM 1053 O GLY A 66 -9.824 0.284 -13.812 1.00 0.81 O ATOM 0 H GLY A 66 -7.753 -2.236 -14.081 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.062 -1.627 -15.806 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.357 -2.615 -15.160 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.651 -0.507 -14.855 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.470 0.648 -14.520 1.00 0.96 C ATOM 1059 C ASP A 67 -12.977 0.531 -13.089 1.00 0.91 C ATOM 1060 O ASP A 67 -13.103 1.527 -12.377 1.00 0.93 O ATOM 1061 CB ASP A 67 -13.643 0.772 -15.493 1.00 1.19 C ATOM 1062 CG ASP A 67 -14.304 2.138 -15.440 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -13.868 3.048 -16.182 1.00 2.47 O1- ATOM 1064 OD2 ASP A 67 -15.272 2.307 -14.668 1.00 2.46 O ATOM 0 H ASP A 67 -12.136 -1.229 -15.388 1.00 0.84 H new ATOM 0 HA ASP A 67 -11.859 1.547 -14.603 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -13.291 0.582 -16.507 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.383 0.005 -15.264 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.247 -0.705 -12.669 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.730 -0.978 -11.319 1.00 0.89 C ATOM 1071 C LEU A 68 -12.643 -0.668 -10.297 1.00 0.79 C ATOM 1072 O LEU A 68 -12.923 -0.423 -9.120 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.172 -2.443 -11.195 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.697 -2.857 -9.814 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.031 -2.185 -9.520 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.832 -4.368 -9.724 1.00 1.07 C ATOM 0 H LEU A 68 -13.138 -1.536 -13.250 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.590 -0.337 -11.122 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.951 -2.634 -11.933 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.327 -3.083 -11.451 1.00 0.96 H new ATOM 0 HG LEU A 68 -13.976 -2.530 -9.065 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.384 -2.493 -8.536 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -15.905 -1.102 -9.538 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.760 -2.478 -10.275 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.206 -4.642 -8.737 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.529 -4.717 -10.486 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.858 -4.831 -9.884 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.401 -0.674 -10.760 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.277 -0.382 -9.894 1.00 0.65 C ATOM 1090 C GLY A 69 -10.389 0.993 -9.268 1.00 0.64 C ATOM 1091 O GLY A 69 -10.043 1.183 -8.102 1.00 0.63 O ATOM 0 H GLY A 69 -11.151 -0.878 -11.728 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.219 -1.135 -9.108 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.351 -0.446 -10.466 1.00 0.65 H new ATOM 1095 N LYS A 70 -10.900 1.944 -10.038 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.063 3.309 -9.564 1.00 0.71 C ATOM 1097 C LYS A 70 -12.142 3.383 -8.488 1.00 0.73 C ATOM 1098 O LYS A 70 -12.055 4.190 -7.564 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.415 4.236 -10.726 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.306 4.358 -11.758 1.00 0.89 C ATOM 1101 CD LYS A 70 -10.562 5.500 -12.725 1.00 1.35 C ATOM 1102 CE LYS A 70 -9.291 5.906 -13.449 1.00 1.83 C ATOM 1103 NZ LYS A 70 -9.492 7.122 -14.275 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.210 1.793 -10.998 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.118 3.633 -9.128 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.317 3.868 -11.215 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -11.647 5.226 -10.334 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -9.354 4.516 -11.252 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.221 3.424 -12.313 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -11.317 5.201 -13.452 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -10.963 6.356 -12.182 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -8.500 6.088 -12.721 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -8.957 5.086 -14.085 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -8.602 7.368 -14.754 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -10.229 6.941 -14.986 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -9.786 7.911 -13.665 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.145 2.518 -8.605 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.240 2.480 -7.642 1.00 0.81 C ATOM 1119 C ASP A 71 -13.717 2.103 -6.264 1.00 0.75 C ATOM 1120 O ASP A 71 -14.117 2.683 -5.251 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.318 1.483 -8.079 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.580 2.170 -8.555 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -17.166 2.954 -7.780 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -16.997 1.921 -9.709 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.222 1.834 -9.358 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.685 3.474 -7.597 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.926 0.855 -8.879 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -15.559 0.824 -7.245 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.792 1.153 -6.231 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.213 0.709 -4.973 1.00 0.67 C ATOM 1131 C LEU A 72 -11.285 1.779 -4.406 1.00 0.61 C ATOM 1132 O LEU A 72 -11.085 1.853 -3.197 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.464 -0.615 -5.156 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.735 -1.663 -4.072 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.164 -3.011 -4.475 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.151 -1.222 -2.739 1.00 1.17 C ATOM 0 H LEU A 72 -12.429 0.678 -7.057 1.00 0.70 H new ATOM 0 HA LEU A 72 -13.023 0.544 -4.263 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.733 -1.037 -6.124 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.394 -0.410 -5.183 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.815 -1.762 -3.961 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.367 -3.741 -3.692 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.627 -3.339 -5.406 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.087 -2.922 -4.618 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -11.355 -1.981 -1.984 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.074 -1.090 -2.839 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -11.605 -0.278 -2.437 1.00 1.17 H new ATOM 1148 N THR A 73 -10.723 2.608 -5.278 1.00 0.60 N ATOM 1149 CA THR A 73 -9.843 3.686 -4.843 1.00 0.57 C ATOM 1150 C THR A 73 -10.621 4.665 -3.962 1.00 0.62 C ATOM 1151 O THR A 73 -10.085 5.231 -3.002 1.00 0.62 O ATOM 1152 CB THR A 73 -9.234 4.422 -6.053 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.662 3.463 -6.950 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.166 5.410 -5.620 1.00 0.56 C ATOM 0 H THR A 73 -10.860 2.555 -6.287 1.00 0.60 H new ATOM 0 HA THR A 73 -9.026 3.255 -4.265 1.00 0.57 H new ATOM 0 HB THR A 73 -10.028 4.978 -6.551 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.330 3.921 -7.750 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.757 5.912 -6.497 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.605 6.150 -4.950 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.368 4.879 -5.101 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.900 4.827 -4.281 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.775 5.705 -3.526 1.00 0.73 C ATOM 1164 C GLN A 74 -13.198 5.013 -2.233 1.00 0.72 C ATOM 1165 O GLN A 74 -13.285 5.638 -1.174 1.00 0.74 O ATOM 1166 CB GLN A 74 -14.001 6.074 -4.367 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.782 7.254 -3.821 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.860 7.726 -4.776 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.731 7.591 -5.993 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.924 8.293 -4.241 1.00 1.21 N ATOM 0 H GLN A 74 -12.353 4.356 -5.064 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.242 6.623 -3.277 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.678 6.302 -5.383 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.662 5.209 -4.429 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.239 6.976 -2.871 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.096 8.076 -3.616 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.996 8.388 -3.228 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.674 8.637 -4.840 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.420 3.705 -2.328 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.830 2.906 -1.175 1.00 0.70 C ATOM 1181 C ALA A 75 -12.716 2.817 -0.138 1.00 0.64 C ATOM 1182 O ALA A 75 -12.968 2.868 1.067 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.250 1.511 -1.616 1.00 0.71 C ATOM 0 H ALA A 75 -13.323 3.174 -3.193 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.683 3.403 -0.713 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.552 0.930 -0.745 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.087 1.585 -2.311 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.412 1.018 -2.109 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.484 2.684 -0.614 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.324 2.594 0.260 1.00 0.54 C ATOM 1191 C TRP A 76 -10.206 3.846 1.127 1.00 0.56 C ATOM 1192 O TRP A 76 -9.821 3.775 2.298 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.053 2.398 -0.572 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.827 2.203 0.260 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.733 3.020 0.317 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.573 1.127 1.169 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.816 2.514 1.207 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.308 1.354 1.742 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.294 -0.007 1.556 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.748 0.489 2.680 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.737 -0.866 2.485 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.477 -0.614 3.039 1.00 0.46 C ATOM 0 H TRP A 76 -11.263 2.636 -1.609 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.449 1.734 0.918 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.183 1.534 -1.223 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.912 3.265 -1.217 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.608 3.929 -0.253 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.915 2.935 1.432 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.269 -0.208 1.137 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.775 0.681 3.108 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.284 -1.747 2.788 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -6.071 -1.303 3.765 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.551 4.991 0.550 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.497 6.256 1.274 1.00 0.65 C ATOM 1215 C ALA A 77 -11.484 6.237 2.435 1.00 0.69 C ATOM 1216 O ALA A 77 -11.209 6.767 3.513 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.788 7.419 0.340 1.00 0.70 C ATOM 0 H ALA A 77 -10.871 5.070 -0.415 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.492 6.387 1.675 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.743 8.354 0.898 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -10.047 7.438 -0.459 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.783 7.300 -0.090 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.626 5.598 2.209 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.658 5.478 3.227 1.00 0.75 C ATOM 1225 C VAL A 78 -13.146 4.638 4.393 1.00 0.71 C ATOM 1226 O VAL A 78 -13.344 4.980 5.560 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.935 4.827 2.649 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -16.034 4.747 3.695 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.421 5.595 1.429 1.00 0.84 C ATOM 0 H VAL A 78 -12.860 5.152 1.322 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.905 6.481 3.576 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.683 3.811 2.346 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.919 4.285 3.258 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.691 4.148 4.539 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -16.282 5.751 4.040 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.321 5.122 1.036 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.646 6.623 1.712 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.645 5.591 0.664 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.464 3.544 4.063 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.910 2.645 5.067 1.00 0.63 C ATOM 1241 C ALA A 79 -10.886 3.366 5.939 1.00 0.63 C ATOM 1242 O ALA A 79 -10.834 3.153 7.153 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.276 1.431 4.405 1.00 0.59 C ATOM 0 H ALA A 79 -12.282 3.259 3.101 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.727 2.309 5.705 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.868 0.771 5.170 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.030 0.895 3.829 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.475 1.756 3.741 1.00 0.59 H new ATOM 1249 N MET A 80 -10.082 4.222 5.308 1.00 0.63 N ATOM 1250 CA MET A 80 -9.056 4.991 6.019 1.00 0.66 C ATOM 1251 C MET A 80 -9.698 5.995 6.967 1.00 0.73 C ATOM 1252 O MET A 80 -9.179 6.254 8.051 1.00 0.79 O ATOM 1253 CB MET A 80 -8.143 5.725 5.032 1.00 0.65 C ATOM 1254 CG MET A 80 -7.111 4.829 4.369 1.00 1.08 C ATOM 1255 SD MET A 80 -5.895 5.759 3.417 1.00 1.04 S ATOM 1256 CE MET A 80 -6.910 6.393 2.085 1.00 1.02 C ATOM 0 H MET A 80 -10.120 4.402 4.305 1.00 0.63 H new ATOM 0 HA MET A 80 -8.456 4.289 6.598 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.757 6.189 4.260 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.628 6.530 5.557 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.599 4.244 5.133 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.618 4.122 3.712 1.00 1.08 H new ATOM 0 HE1 MET A 80 -6.270 6.790 1.297 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.526 5.589 1.682 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.553 7.187 2.464 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.828 6.557 6.555 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.534 7.533 7.375 1.00 0.84 C ATOM 1268 C ALA A 81 -12.204 6.858 8.568 1.00 0.87 C ATOM 1269 O ALA A 81 -12.261 7.420 9.663 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.558 8.287 6.543 1.00 0.89 C ATOM 0 H ALA A 81 -11.274 6.354 5.660 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.805 8.248 7.756 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -13.075 9.011 7.172 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -12.053 8.808 5.729 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -13.281 7.583 6.130 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.712 5.653 8.350 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.372 4.898 9.409 1.00 0.82 C ATOM 1278 C LEU A 82 -12.347 4.311 10.374 1.00 0.81 C ATOM 1279 O LEU A 82 -12.507 4.391 11.592 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.223 3.775 8.812 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.451 4.232 8.019 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -15.958 3.106 7.128 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.548 4.719 8.964 1.00 0.97 C ATOM 0 H LEU A 82 -12.680 5.176 7.449 1.00 0.80 H new ATOM 0 HA LEU A 82 -14.019 5.582 9.959 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.592 3.173 8.158 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.555 3.125 9.621 1.00 0.82 H new ATOM 0 HG LEU A 82 -15.162 5.066 7.380 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.831 3.447 6.571 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.174 2.814 6.430 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.233 2.250 7.744 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -17.413 5.040 8.383 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.840 3.908 9.631 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -16.175 5.557 9.553 1.00 0.97 H new ATOM 1295 N GLY A 83 -11.284 3.748 9.822 1.00 0.75 N ATOM 1296 CA GLY A 83 -10.256 3.138 10.641 1.00 0.74 C ATOM 1297 C GLY A 83 -10.404 1.635 10.677 1.00 0.72 C ATOM 1298 O GLY A 83 -10.177 0.996 11.707 1.00 0.78 O ATOM 0 H GLY A 83 -11.113 3.702 8.817 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -9.273 3.400 10.249 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -10.312 3.536 11.654 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.788 1.073 9.545 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.976 -0.363 9.422 1.00 0.65 C ATOM 1304 C VAL A 84 -10.263 -0.882 8.179 1.00 0.59 C ATOM 1305 O VAL A 84 -10.660 -1.890 7.596 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.473 -0.734 9.336 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.173 -0.480 10.662 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.152 0.039 8.216 1.00 0.73 C ATOM 0 H VAL A 84 -10.978 1.595 8.689 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.554 -0.825 10.314 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.546 -1.799 9.114 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.226 -0.749 10.575 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.707 -1.084 11.441 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -13.089 0.575 10.922 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.206 -0.236 8.171 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -13.064 1.109 8.407 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.674 -0.201 7.266 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.190 -0.193 7.812 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.398 -0.520 6.627 1.00 0.55 C ATOM 1320 C GLU A 85 -7.919 -1.967 6.637 1.00 0.53 C ATOM 1321 O GLU A 85 -8.339 -2.769 5.805 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.184 0.405 6.524 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.492 1.868 6.787 1.00 0.81 C ATOM 1324 CD GLU A 85 -7.208 2.268 8.221 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.783 1.648 9.140 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -6.403 3.194 8.436 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.840 0.614 8.329 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.050 -0.381 5.764 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.426 0.072 7.233 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.752 0.310 5.528 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.899 2.488 6.115 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.540 2.063 6.559 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.053 -2.295 7.591 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.501 -3.647 7.708 1.00 0.62 C ATOM 1335 C ASP A 86 -7.606 -4.679 7.907 1.00 0.64 C ATOM 1336 O ASP A 86 -7.478 -5.830 7.490 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.508 -3.731 8.873 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.095 -3.329 8.482 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -3.920 -2.230 7.917 1.00 1.75 O1- ATOM 1340 OD2 ASP A 86 -3.149 -4.109 8.753 1.00 1.91 O ATOM 0 H ASP A 86 -6.715 -1.642 8.298 1.00 0.57 H new ATOM 0 HA ASP A 86 -5.980 -3.867 6.776 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -5.852 -3.087 9.683 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -5.496 -4.750 9.259 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.699 -4.244 8.519 1.00 0.59 N ATOM 1346 CA LYS A 87 -9.833 -5.119 8.799 1.00 0.63 C ATOM 1347 C LYS A 87 -10.518 -5.576 7.512 1.00 0.60 C ATOM 1348 O LYS A 87 -10.832 -6.756 7.355 1.00 0.67 O ATOM 1349 CB LYS A 87 -10.845 -4.402 9.700 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.241 -3.822 10.973 1.00 0.79 C ATOM 1351 CD LYS A 87 -10.147 -4.860 12.075 1.00 1.48 C ATOM 1352 CE LYS A 87 -9.298 -4.361 13.236 1.00 1.85 C ATOM 1353 NZ LYS A 87 -7.876 -4.787 13.121 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.826 -3.282 8.834 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.452 -6.002 9.312 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.314 -3.597 9.134 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.634 -5.103 9.971 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.247 -3.429 10.758 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -10.848 -2.983 11.314 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -11.147 -5.105 12.432 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -9.717 -5.779 11.676 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -9.347 -3.273 13.277 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -9.712 -4.734 14.173 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -7.338 -4.424 13.934 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -7.825 -5.826 13.108 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -7.471 -4.410 12.241 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.736 -4.650 6.586 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.402 -4.980 5.326 1.00 0.55 C ATOM 1369 C VAL A 88 -10.406 -5.429 4.255 1.00 0.50 C ATOM 1370 O VAL A 88 -10.807 -5.905 3.195 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.239 -3.797 4.782 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.376 -3.456 5.736 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.366 -2.575 4.531 1.00 0.56 C ATOM 0 H VAL A 88 -10.465 -3.671 6.680 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.074 -5.808 5.552 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.670 -4.104 3.829 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.951 -2.622 5.334 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -14.027 -4.323 5.851 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.966 -3.179 6.707 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.981 -1.760 4.149 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.894 -2.267 5.464 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.596 -2.822 3.800 1.00 0.56 H new ATOM 1383 N THR A 89 -9.114 -5.300 4.545 1.00 0.48 N ATOM 1384 CA THR A 89 -8.070 -5.688 3.602 1.00 0.44 C ATOM 1385 C THR A 89 -8.181 -7.166 3.209 1.00 0.43 C ATOM 1386 O THR A 89 -8.185 -7.500 2.025 1.00 0.44 O ATOM 1387 CB THR A 89 -6.663 -5.409 4.180 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.502 -4.004 4.411 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.572 -5.903 3.236 1.00 0.79 C ATOM 0 H THR A 89 -8.765 -4.929 5.428 1.00 0.48 H new ATOM 0 HA THR A 89 -8.213 -5.082 2.708 1.00 0.44 H new ATOM 0 HB THR A 89 -6.570 -5.949 5.122 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.358 -3.619 4.693 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.594 -5.693 3.669 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.680 -6.977 3.086 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.662 -5.392 2.277 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.309 -8.043 4.201 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.411 -9.480 3.942 1.00 0.49 C ATOM 1399 C VAL A 90 -9.647 -9.837 3.097 1.00 0.50 C ATOM 1400 O VAL A 90 -9.500 -10.377 2.001 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.411 -10.307 5.251 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.433 -11.797 4.944 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.204 -9.962 6.109 1.00 0.57 C ATOM 0 H VAL A 90 -8.345 -7.788 5.188 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.522 -9.741 3.368 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.312 -10.055 5.810 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.433 -12.361 5.877 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.331 -12.038 4.375 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.551 -12.061 4.360 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.226 -10.555 7.023 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.290 -10.180 5.556 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.230 -8.902 6.364 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.882 -9.532 3.566 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.110 -9.857 2.816 1.00 0.57 C ATOM 1415 C PRO A 91 -12.127 -9.271 1.403 1.00 0.57 C ATOM 1416 O PRO A 91 -12.658 -9.885 0.480 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.237 -9.250 3.666 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.572 -8.317 4.613 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.198 -8.872 4.846 1.00 0.54 C ATOM 0 HA PRO A 91 -12.205 -10.933 2.667 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.959 -8.724 3.041 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.785 -10.026 4.201 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.521 -7.311 4.198 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.128 -8.248 5.548 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.481 -8.086 5.082 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.184 -9.577 5.677 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.541 -8.093 1.229 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.505 -7.459 -0.081 1.00 0.55 C ATOM 1429 C LEU A 92 -10.560 -8.207 -1.017 1.00 0.54 C ATOM 1430 O LEU A 92 -10.867 -8.408 -2.189 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.095 -5.989 0.037 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.205 -5.040 0.507 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.633 -3.673 0.836 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.286 -4.919 -0.553 1.00 0.79 C ATOM 0 H LEU A 92 -11.088 -7.562 1.972 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.509 -7.499 -0.504 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.258 -5.916 0.731 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.735 -5.649 -0.934 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.651 -5.455 1.411 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.435 -3.013 1.168 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.892 -3.770 1.629 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.161 -3.253 -0.052 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.065 -4.242 -0.203 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -12.852 -4.527 -1.473 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.718 -5.901 -0.746 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.417 -8.637 -0.493 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.445 -9.375 -1.294 1.00 0.48 C ATOM 1448 C PHE A 93 -9.032 -10.707 -1.750 1.00 0.54 C ATOM 1449 O PHE A 93 -8.977 -11.060 -2.933 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.166 -9.629 -0.493 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.018 -8.730 -0.866 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.565 -8.668 -2.175 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.384 -7.956 0.093 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.503 -7.851 -2.517 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.323 -7.139 -0.247 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.885 -7.086 -1.552 1.00 0.41 C ATOM 0 H PHE A 93 -9.141 -8.489 0.478 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.202 -8.771 -2.168 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.383 -9.502 0.568 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.862 -10.666 -0.634 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.047 -9.264 -2.936 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.723 -7.992 1.118 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.158 -7.813 -3.540 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.837 -6.542 0.510 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.058 -6.445 -1.819 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.621 -11.424 -0.806 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.213 -12.724 -1.082 1.00 0.62 C ATOM 1468 C GLU A 94 -11.470 -12.589 -1.934 1.00 0.66 C ATOM 1469 O GLU A 94 -11.734 -13.421 -2.799 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.543 -13.435 0.225 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.408 -13.403 1.236 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.922 -14.784 1.608 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -9.721 -15.572 2.149 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -7.741 -15.095 1.351 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.702 -11.125 0.166 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.487 -13.314 -1.641 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.426 -12.974 0.667 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -10.799 -14.473 0.010 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.578 -12.828 0.826 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.742 -12.885 2.135 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.230 -11.531 -1.702 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.455 -11.316 -2.447 1.00 0.71 C ATOM 1483 C GLY A 95 -13.218 -11.078 -3.927 1.00 0.73 C ATOM 1484 O GLY A 95 -14.091 -11.354 -4.754 1.00 0.82 O ATOM 0 H GLY A 95 -12.020 -10.813 -1.008 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.105 -12.182 -2.324 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -13.983 -10.460 -2.027 1.00 0.71 H new ATOM 1488 N VAL A 96 -12.036 -10.580 -4.267 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.706 -10.293 -5.658 1.00 0.67 C ATOM 1490 C VAL A 96 -10.837 -11.382 -6.290 1.00 0.69 C ATOM 1491 O VAL A 96 -11.038 -11.747 -7.447 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.974 -8.939 -5.796 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.628 -8.647 -7.250 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.807 -7.807 -5.215 1.00 0.65 C ATOM 0 H VAL A 96 -11.292 -10.367 -3.602 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.659 -10.255 -6.186 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.045 -9.009 -5.230 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -10.114 -7.688 -7.316 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.979 -9.434 -7.635 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.543 -8.610 -7.841 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.269 -6.866 -5.325 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.758 -7.746 -5.745 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -11.993 -7.997 -4.158 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.886 -11.913 -5.537 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.974 -12.923 -6.076 1.00 0.68 C ATOM 1506 C GLN A 97 -9.418 -14.360 -5.804 1.00 0.75 C ATOM 1507 O GLN A 97 -9.325 -15.215 -6.689 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.572 -12.698 -5.524 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.983 -11.369 -5.945 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.592 -11.137 -5.397 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.822 -12.073 -5.198 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.267 -9.882 -5.151 1.00 0.55 N ATOM 0 H GLN A 97 -9.722 -11.668 -4.560 1.00 0.66 H new ATOM 0 HA GLN A 97 -8.982 -12.801 -7.159 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.602 -12.748 -4.436 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.920 -13.503 -5.862 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -6.951 -11.321 -7.033 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.638 -10.565 -5.609 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.939 -9.136 -5.332 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.344 -9.658 -4.780 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.880 -14.637 -4.596 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.306 -15.989 -4.244 1.00 0.81 C ATOM 1523 C LYS A 98 -11.699 -16.307 -4.781 1.00 0.88 C ATOM 1524 O LYS A 98 -11.870 -17.218 -5.592 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.290 -16.184 -2.728 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.094 -16.972 -2.224 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.236 -17.296 -0.742 1.00 1.03 C ATOM 1528 CE LYS A 98 -7.992 -17.968 -0.179 1.00 1.34 C ATOM 1529 NZ LYS A 98 -7.883 -17.783 1.294 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.971 -13.953 -3.845 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.597 -16.674 -4.708 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -10.299 -15.207 -2.245 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -11.204 -16.696 -2.427 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -8.997 -17.896 -2.794 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -8.181 -16.399 -2.388 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -9.433 -16.378 -0.188 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -10.097 -17.948 -0.595 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -8.018 -19.033 -0.411 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -7.106 -17.557 -0.664 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -7.275 -18.526 1.693 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -7.469 -16.851 1.497 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -8.829 -17.842 1.722 1.00 1.41 H new ATOM 1543 N THR A 99 -12.686 -15.561 -4.316 1.00 0.82 N ATOM 1544 CA THR A 99 -14.065 -15.771 -4.724 1.00 0.94 C ATOM 1545 C THR A 99 -14.371 -15.126 -6.075 1.00 0.98 C ATOM 1546 O THR A 99 -15.089 -15.706 -6.894 1.00 1.08 O ATOM 1547 CB THR A 99 -15.020 -15.212 -3.657 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.366 -15.223 -2.381 1.00 0.95 O ATOM 1549 CG2 THR A 99 -16.295 -16.031 -3.582 1.00 1.31 C ATOM 0 H THR A 99 -12.557 -14.799 -3.651 1.00 0.82 H new ATOM 0 HA THR A 99 -14.212 -16.846 -4.829 1.00 0.94 H new ATOM 0 HB THR A 99 -15.286 -14.191 -3.932 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.973 -14.865 -1.699 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.952 -15.613 -2.819 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.800 -16.008 -4.548 1.00 1.31 H new ATOM 0 HG23 THR A 99 -16.051 -17.062 -3.325 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.820 -13.931 -6.299 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.036 -13.184 -7.548 1.00 0.94 C ATOM 1559 C GLN A 100 -15.495 -12.763 -7.666 1.00 1.01 C ATOM 1560 O GLN A 100 -16.015 -12.573 -8.767 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.633 -14.011 -8.778 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.159 -14.360 -8.826 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.912 -15.790 -9.264 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.679 -16.357 -10.044 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -10.844 -16.382 -8.761 1.00 1.44 N ATOM 0 H GLN A 100 -13.216 -13.454 -5.629 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.404 -12.297 -7.514 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.215 -14.932 -8.791 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.895 -13.456 -9.679 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.651 -13.681 -9.511 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.721 -14.205 -7.840 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.235 -15.875 -8.118 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.628 -17.346 -9.015 1.00 1.44 H new ATOM 1574 N THR A 101 -16.147 -12.609 -6.523 1.00 1.00 N ATOM 1575 CA THR A 101 -17.549 -12.223 -6.481 1.00 1.08 C ATOM 1576 C THR A 101 -17.715 -10.718 -6.648 1.00 1.03 C ATOM 1577 O THR A 101 -18.694 -10.254 -7.237 1.00 1.12 O ATOM 1578 CB THR A 101 -18.184 -12.659 -5.155 1.00 1.14 C ATOM 1579 OG1 THR A 101 -17.164 -12.776 -4.153 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.904 -13.986 -5.307 1.00 1.57 C ATOM 0 H THR A 101 -15.723 -12.747 -5.606 1.00 1.00 H new ATOM 0 HA THR A 101 -18.052 -12.723 -7.309 1.00 1.08 H new ATOM 0 HB THR A 101 -18.913 -11.906 -4.856 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.569 -13.053 -3.305 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.345 -14.272 -4.352 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.690 -13.890 -6.056 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.194 -14.751 -5.622 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.754 -9.968 -6.128 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.779 -8.516 -6.215 1.00 0.88 C ATOM 1590 C ILE A 102 -16.581 -8.065 -7.658 1.00 0.87 C ATOM 1591 O ILE A 102 -15.465 -8.083 -8.186 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.699 -7.881 -5.310 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.943 -8.270 -3.849 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.687 -6.367 -5.461 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.869 -7.783 -2.900 1.00 0.79 C ATOM 0 H ILE A 102 -15.942 -10.345 -5.638 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.756 -8.179 -5.867 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.724 -8.259 -5.619 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.905 -7.868 -3.531 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -16.012 -9.356 -3.778 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.919 -5.943 -4.814 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.473 -6.106 -6.498 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.660 -5.966 -5.179 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -15.111 -8.097 -1.885 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.907 -8.206 -3.191 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.814 -6.695 -2.940 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.676 -7.677 -8.298 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.631 -7.230 -9.681 1.00 0.95 C ATOM 1609 C ARG A 103 -18.110 -5.792 -9.790 1.00 0.96 C ATOM 1610 O ARG A 103 -18.018 -5.172 -10.848 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.477 -8.133 -10.585 1.00 1.07 C ATOM 1612 CG ARG A 103 -18.100 -9.609 -10.524 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.600 -9.837 -10.676 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.053 -9.219 -11.883 1.00 1.88 N ATOM 1615 CZ ARG A 103 -15.525 -9.903 -12.898 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -15.567 -11.232 -12.913 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.979 -9.255 -13.917 1.00 3.22 N ATOM 0 H ARG A 103 -18.606 -7.663 -7.880 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.595 -7.287 -10.015 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.526 -8.026 -10.307 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.383 -7.788 -11.615 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -18.433 -10.026 -9.574 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.627 -10.148 -11.311 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.086 -9.436 -9.803 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -16.400 -10.908 -10.699 1.00 1.44 H new ATOM 0 HE ARG A 103 -16.077 -8.202 -11.953 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -16.006 -11.737 -12.143 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -15.160 -11.746 -13.694 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -14.963 -8.235 -13.923 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -14.574 -9.776 -14.695 1.00 3.22 H new ATOM 1631 N SER A 104 -18.628 -5.264 -8.694 1.00 0.97 N ATOM 1632 CA SER A 104 -19.115 -3.898 -8.671 1.00 1.01 C ATOM 1633 C SER A 104 -18.958 -3.294 -7.282 1.00 0.98 C ATOM 1634 O SER A 104 -18.606 -3.994 -6.329 1.00 0.94 O ATOM 1635 CB SER A 104 -20.581 -3.854 -9.106 1.00 1.13 C ATOM 1636 OG SER A 104 -20.762 -4.528 -10.340 1.00 1.51 O ATOM 0 H SER A 104 -18.722 -5.762 -7.809 1.00 0.97 H new ATOM 0 HA SER A 104 -18.522 -3.308 -9.370 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.206 -4.314 -8.340 1.00 1.13 H new ATOM 0 HB3 SER A 104 -20.905 -2.818 -9.202 1.00 1.13 H new ATOM 0 HG SER A 104 -21.706 -4.489 -10.599 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.228 -1.995 -7.171 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.124 -1.286 -5.900 1.00 1.02 C ATOM 1644 C ALA A 105 -20.144 -1.814 -4.901 1.00 1.05 C ATOM 1645 O ALA A 105 -19.991 -1.641 -3.693 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.302 0.213 -6.104 1.00 1.08 C ATOM 0 H ALA A 105 -19.522 -1.410 -7.953 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.127 -1.462 -5.495 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.221 0.723 -5.144 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.529 0.583 -6.778 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.284 0.407 -6.536 1.00 1.08 H new ATOM 1652 N SER A 106 -21.183 -2.458 -5.416 1.00 1.12 N ATOM 1653 CA SER A 106 -22.226 -3.034 -4.584 1.00 1.17 C ATOM 1654 C SER A 106 -21.646 -4.096 -3.657 1.00 1.09 C ATOM 1655 O SER A 106 -21.939 -4.120 -2.459 1.00 1.09 O ATOM 1656 CB SER A 106 -23.302 -3.643 -5.479 1.00 1.28 C ATOM 1657 OG SER A 106 -22.967 -3.473 -6.851 1.00 1.43 O ATOM 0 H SER A 106 -21.324 -2.594 -6.417 1.00 1.12 H new ATOM 0 HA SER A 106 -22.666 -2.251 -3.967 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.412 -4.704 -5.255 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.263 -3.173 -5.273 1.00 1.28 H new ATOM 0 HG SER A 106 -23.667 -3.871 -7.410 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.794 -4.952 -4.213 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.161 -6.012 -3.440 1.00 0.99 C ATOM 1665 C ASP A 107 -19.209 -5.410 -2.423 1.00 0.91 C ATOM 1666 O ASP A 107 -19.127 -5.866 -1.286 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.391 -6.971 -4.347 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.192 -7.423 -5.547 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.169 -8.184 -5.369 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.845 -7.024 -6.680 1.00 1.89 O ATOM 0 H ASP A 107 -20.527 -4.931 -5.197 1.00 1.05 H new ATOM 0 HA ASP A 107 -20.945 -6.571 -2.929 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.478 -6.484 -4.689 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.089 -7.844 -3.769 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.488 -4.378 -2.850 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.545 -3.687 -1.981 1.00 0.84 C ATOM 1677 C ILE A 108 -18.277 -3.082 -0.785 1.00 0.86 C ATOM 1678 O ILE A 108 -17.848 -3.232 0.358 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.787 -2.571 -2.740 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.135 -3.138 -4.007 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.739 -1.926 -1.843 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.426 -2.099 -4.851 1.00 0.90 C ATOM 0 H ILE A 108 -18.540 -4.002 -3.797 1.00 0.90 H new ATOM 0 HA ILE A 108 -16.818 -4.421 -1.634 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.504 -1.804 -3.031 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.420 -3.909 -3.721 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -16.901 -3.622 -4.612 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.218 -1.144 -2.396 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.225 -1.490 -0.970 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.022 -2.681 -1.520 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -14.991 -2.578 -5.728 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.140 -1.339 -5.169 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.636 -1.631 -4.264 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.398 -2.422 -1.062 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.211 -1.807 -0.021 1.00 0.94 C ATOM 1696 C ARG A 109 -20.690 -2.875 0.956 1.00 0.94 C ATOM 1697 O ARG A 109 -20.689 -2.670 2.171 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.407 -1.087 -0.647 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.254 -0.309 0.350 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.502 0.252 -0.308 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.180 1.235 0.535 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.439 1.619 0.346 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -26.157 1.094 -0.639 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -25.986 2.531 1.140 1.00 1.94 N ATOM 0 H ARG A 109 -19.765 -2.300 -2.006 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.609 -1.077 0.520 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.045 -0.401 -1.413 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.038 -1.821 -1.149 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.537 -0.961 1.177 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.666 0.505 0.773 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.233 0.715 -1.257 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.188 -0.564 -0.535 1.00 1.12 H new ATOM 0 HE ARG A 109 -23.660 1.648 1.309 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.743 0.393 -1.254 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -27.122 1.391 -0.781 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -25.440 2.940 1.899 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.952 2.823 0.992 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.084 -4.020 0.400 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.560 -5.151 1.194 1.00 0.97 C ATOM 1720 C ASP A 110 -20.484 -5.616 2.166 1.00 0.92 C ATOM 1721 O ASP A 110 -20.778 -5.959 3.310 1.00 0.92 O ATOM 1722 CB ASP A 110 -21.967 -6.318 0.287 1.00 1.01 C ATOM 1723 CG ASP A 110 -23.458 -6.377 0.027 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -24.223 -5.683 0.727 1.00 1.85 O1- ATOM 1725 OD2 ASP A 110 -23.877 -7.129 -0.879 1.00 1.95 O ATOM 0 H ASP A 110 -21.082 -4.189 -0.606 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.431 -4.818 1.758 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -21.442 -6.231 -0.664 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.647 -7.254 0.744 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.238 -5.623 1.703 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.108 -6.034 2.530 1.00 0.84 C ATOM 1732 C VAL A 111 -17.986 -5.137 3.760 1.00 0.84 C ATOM 1733 O VAL A 111 -17.762 -5.622 4.869 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.782 -6.000 1.732 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.592 -6.283 2.633 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.820 -7.002 0.592 1.00 0.86 C ATOM 0 H VAL A 111 -18.984 -5.347 0.754 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.295 -7.060 2.849 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.668 -4.998 1.319 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.675 -6.252 2.045 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.544 -5.530 3.420 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.702 -7.270 3.082 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -15.879 -6.964 0.042 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -16.965 -8.005 0.994 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.643 -6.758 -0.080 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.160 -3.835 3.558 1.00 0.84 N ATOM 1747 CA PHE A 112 -18.080 -2.874 4.651 1.00 0.85 C ATOM 1748 C PHE A 112 -19.211 -3.103 5.645 1.00 0.89 C ATOM 1749 O PHE A 112 -19.012 -3.022 6.855 1.00 0.92 O ATOM 1750 CB PHE A 112 -18.123 -1.442 4.117 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.800 -0.954 3.592 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.374 -1.290 2.317 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.980 -0.157 4.378 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.158 -0.843 1.832 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.764 0.292 3.899 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.353 -0.051 2.627 1.00 0.79 C ATOM 0 H PHE A 112 -18.357 -3.421 2.647 1.00 0.84 H new ATOM 0 HA PHE A 112 -17.130 -3.020 5.165 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.865 -1.382 3.320 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.456 -0.776 4.913 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -17.000 -1.910 1.693 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.295 0.115 5.374 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.839 -1.112 0.836 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.135 0.912 4.521 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.402 0.300 2.253 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.395 -3.405 5.128 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.551 -3.672 5.979 1.00 0.97 C ATOM 1768 C ILE A 113 -21.307 -4.934 6.799 1.00 0.99 C ATOM 1769 O ILE A 113 -21.724 -5.038 7.954 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.850 -3.832 5.156 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -23.069 -2.602 4.274 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -24.046 -4.040 6.077 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.224 -2.743 3.303 1.00 1.33 C ATOM 0 H ILE A 113 -20.581 -3.471 4.127 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.679 -2.815 6.640 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.750 -4.710 4.518 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.247 -1.736 4.912 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.157 -2.402 3.712 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.951 -4.151 5.479 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.893 -4.939 6.674 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -24.151 -3.179 6.738 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.316 -1.831 2.713 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.040 -3.588 2.639 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.147 -2.911 3.858 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.592 -5.878 6.198 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.263 -7.141 6.854 1.00 1.00 C ATOM 1787 C ASN A 114 -19.185 -6.932 7.915 1.00 0.99 C ATOM 1788 O ASN A 114 -18.868 -7.841 8.682 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.775 -8.167 5.829 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.899 -8.844 5.068 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -22.001 -9.037 5.586 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.620 -9.221 3.833 1.00 1.93 N ATOM 0 H ASN A 114 -20.226 -5.792 5.250 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.167 -7.515 7.334 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -19.112 -7.672 5.119 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.184 -8.927 6.340 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.329 -9.691 3.271 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -19.695 -9.042 3.442 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.620 -5.731 7.944 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.582 -5.383 8.907 1.00 0.97 C ATOM 1801 C ALA A 115 -18.176 -4.580 10.058 1.00 1.01 C ATOM 1802 O ALA A 115 -17.461 -4.134 10.956 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.470 -4.591 8.233 1.00 0.94 C ATOM 0 H ALA A 115 -18.866 -4.975 7.305 1.00 0.97 H new ATOM 0 HA ALA A 115 -17.158 -6.305 9.304 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.705 -4.341 8.968 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -16.027 -5.190 7.438 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.881 -3.674 7.810 1.00 0.94 H new ATOM 1809 N GLY A 116 -19.490 -4.390 10.017 1.00 1.01 N ATOM 1810 CA GLY A 116 -20.167 -3.650 11.065 1.00 1.05 C ATOM 1811 C GLY A 116 -20.412 -2.195 10.707 1.00 1.06 C ATOM 1812 O GLY A 116 -20.715 -1.378 11.579 1.00 1.15 O ATOM 0 H GLY A 116 -20.099 -4.736 9.275 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -21.121 -4.130 11.281 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -19.572 -3.698 11.977 1.00 1.05 H new ATOM 1816 N ILE A 117 -20.273 -1.868 9.432 1.00 1.01 N ATOM 1817 CA ILE A 117 -20.486 -0.504 8.973 1.00 1.02 C ATOM 1818 C ILE A 117 -21.887 -0.359 8.393 1.00 1.04 C ATOM 1819 O ILE A 117 -22.334 -1.198 7.610 1.00 1.06 O ATOM 1820 CB ILE A 117 -19.438 -0.089 7.912 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -18.013 -0.293 8.450 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.647 1.361 7.481 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.665 0.586 9.633 1.00 1.61 C ATOM 0 H ILE A 117 -20.014 -2.527 8.698 1.00 1.01 H new ATOM 0 HA ILE A 117 -20.375 0.155 9.834 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.570 -0.726 7.037 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.892 -1.337 8.739 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -17.302 -0.100 7.647 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.899 1.630 6.735 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.643 1.473 7.053 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -19.548 2.016 8.347 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.643 0.380 9.951 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.751 1.634 9.346 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -18.350 0.378 10.455 1.00 1.61 H new ATOM 1835 N LYS A 118 -22.579 0.698 8.790 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.935 0.949 8.317 1.00 1.12 C ATOM 1837 C LYS A 118 -23.941 1.433 6.872 1.00 1.11 C ATOM 1838 O LYS A 118 -23.031 2.148 6.438 1.00 1.07 O ATOM 1839 CB LYS A 118 -24.624 1.989 9.198 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.968 1.489 10.591 1.00 1.29 C ATOM 1841 CD LYS A 118 -25.669 2.566 11.400 1.00 1.83 C ATOM 1842 CE LYS A 118 -26.072 2.074 12.782 1.00 1.95 C ATOM 1843 NZ LYS A 118 -26.974 3.036 13.469 1.00 2.73 N1+ ATOM 0 H LYS A 118 -22.224 1.399 9.441 1.00 1.08 H new ATOM 0 HA LYS A 118 -24.478 0.005 8.371 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.977 2.862 9.286 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -25.539 2.319 8.705 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -25.608 0.610 10.518 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -24.058 1.178 11.104 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -25.011 3.429 11.501 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -26.556 2.903 10.863 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -26.570 1.109 12.693 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -25.179 1.918 13.387 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -27.227 2.666 14.407 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -26.490 3.950 13.576 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -27.838 3.166 12.904 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.983 1.060 6.139 1.00 1.17 N ATOM 1858 CA GLY A 119 -25.100 1.464 4.752 1.00 1.19 C ATOM 1859 C GLY A 119 -25.266 2.963 4.609 1.00 1.19 C ATOM 1860 O GLY A 119 -24.760 3.562 3.656 1.00 1.19 O ATOM 0 H GLY A 119 -25.751 0.483 6.482 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -24.213 1.144 4.205 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.953 0.960 4.298 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.974 3.566 5.561 1.00 1.23 N ATOM 1865 CA GLU A 120 -26.208 5.008 5.560 1.00 1.27 C ATOM 1866 C GLU A 120 -24.898 5.746 5.779 1.00 1.20 C ATOM 1867 O GLU A 120 -24.593 6.715 5.080 1.00 1.22 O ATOM 1868 CB GLU A 120 -27.211 5.400 6.650 1.00 1.35 C ATOM 1869 CG GLU A 120 -28.375 4.431 6.796 1.00 1.80 C ATOM 1870 CD GLU A 120 -28.113 3.362 7.833 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -27.459 2.354 7.495 1.00 2.88 O1- ATOM 1872 OE2 GLU A 120 -28.571 3.523 8.986 1.00 2.98 O ATOM 0 H GLU A 120 -26.398 3.075 6.348 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.624 5.286 4.592 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.687 5.469 7.603 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -27.603 6.393 6.429 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -29.273 4.985 7.069 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.573 3.958 5.834 1.00 1.80 H new ATOM 1879 N GLU A 121 -24.129 5.272 6.754 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.837 5.866 7.072 1.00 1.12 C ATOM 1881 C GLU A 121 -21.919 5.771 5.865 1.00 1.07 C ATOM 1882 O GLU A 121 -21.255 6.739 5.495 1.00 1.07 O ATOM 1883 CB GLU A 121 -22.202 5.149 8.272 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.840 5.697 8.674 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.932 7.022 9.396 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -21.664 7.101 10.404 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -20.247 7.984 8.980 1.00 2.52 O1- ATOM 0 H GLU A 121 -24.380 4.475 7.339 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.984 6.915 7.331 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.877 5.223 9.124 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -22.100 4.090 8.036 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -20.337 4.973 9.315 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.224 5.816 7.783 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.904 4.596 5.241 1.00 1.04 N ATOM 1895 CA TYR A 122 -21.074 4.365 4.070 1.00 1.01 C ATOM 1896 C TYR A 122 -21.502 5.274 2.926 1.00 1.05 C ATOM 1897 O TYR A 122 -20.663 5.834 2.233 1.00 1.05 O ATOM 1898 CB TYR A 122 -21.150 2.901 3.629 1.00 1.00 C ATOM 1899 CG TYR A 122 -20.177 2.552 2.524 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -20.528 2.689 1.185 1.00 1.30 C ATOM 1901 CD2 TYR A 122 -18.900 2.095 2.822 1.00 1.50 C ATOM 1902 CE1 TYR A 122 -19.636 2.375 0.178 1.00 1.28 C ATOM 1903 CE2 TYR A 122 -18.003 1.780 1.822 1.00 1.51 C ATOM 1904 CZ TYR A 122 -18.374 1.923 0.502 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.484 1.608 -0.497 1.00 0.95 O ATOM 0 H TYR A 122 -22.459 3.790 5.530 1.00 1.04 H new ATOM 0 HA TYR A 122 -20.043 4.594 4.338 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.956 2.260 4.489 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -22.164 2.684 3.292 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -21.514 3.047 0.928 1.00 1.30 H new ATOM 0 HD2 TYR A 122 -18.604 1.984 3.855 1.00 1.50 H new ATOM 0 HE1 TYR A 122 -19.925 2.483 -0.857 1.00 1.28 H new ATOM 0 HE2 TYR A 122 -17.015 1.423 2.072 1.00 1.51 H new ATOM 0 HH TYR A 122 -17.398 2.368 -1.110 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.812 5.420 2.743 1.00 1.11 N ATOM 1916 CA ASP A 123 -23.361 6.261 1.679 1.00 1.18 C ATOM 1917 C ASP A 123 -22.895 7.707 1.834 1.00 1.18 C ATOM 1918 O ASP A 123 -22.504 8.353 0.859 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.895 6.200 1.675 1.00 1.25 C ATOM 1920 CG ASP A 123 -25.515 7.213 0.730 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -25.637 6.913 -0.477 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.885 8.317 1.193 1.00 2.30 O1- ATOM 0 H ASP A 123 -23.518 4.964 3.321 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.994 5.878 0.727 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -25.215 5.198 1.389 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -25.265 6.376 2.685 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.937 8.207 3.062 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.518 9.572 3.343 1.00 1.20 C ATOM 1929 C ALA A 124 -21.022 9.747 3.107 1.00 1.17 C ATOM 1930 O ALA A 124 -20.595 10.709 2.472 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.882 9.943 4.768 1.00 1.21 C ATOM 0 H ALA A 124 -23.257 7.687 3.879 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.042 10.240 2.660 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.565 10.966 4.970 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.961 9.865 4.900 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.382 9.265 5.460 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.235 8.805 3.606 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.787 8.856 3.451 1.00 1.06 C ATOM 1939 C ALA A 125 -18.383 8.665 1.988 1.00 1.08 C ATOM 1940 O ALA A 125 -17.463 9.316 1.502 1.00 1.11 O ATOM 1941 CB ALA A 125 -18.130 7.803 4.332 1.00 1.02 C ATOM 0 H ALA A 125 -20.575 7.994 4.123 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.442 9.841 3.765 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -17.048 7.849 4.209 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -18.385 7.991 5.375 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.486 6.814 4.044 1.00 1.02 H new ATOM 1947 N TRP A 126 -19.092 7.789 1.293 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.822 7.497 -0.114 1.00 1.10 C ATOM 1949 C TRP A 126 -18.913 8.758 -0.962 1.00 1.21 C ATOM 1950 O TRP A 126 -18.132 8.948 -1.890 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.813 6.441 -0.625 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.665 6.096 -2.084 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.460 6.515 -3.113 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.664 5.255 -2.673 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -20.019 5.984 -4.299 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.920 5.207 -4.057 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.581 4.534 -2.164 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.128 4.472 -4.938 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.798 3.805 -3.038 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.076 3.780 -4.412 1.00 0.96 C ATOM 0 H TRP A 126 -19.871 7.259 1.684 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.807 7.109 -0.197 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.691 5.532 -0.036 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.828 6.800 -0.451 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.313 7.170 -3.008 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.442 6.143 -5.213 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.360 4.546 -1.107 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.339 4.451 -5.997 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -15.957 3.245 -2.656 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.444 3.200 -5.068 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.851 9.628 -0.623 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.048 10.862 -1.368 1.00 1.39 C ATOM 1973 C ASN A 127 -19.610 12.081 -0.557 1.00 1.41 C ATOM 1974 O ASN A 127 -20.171 13.169 -0.703 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.515 11.003 -1.776 1.00 1.49 C ATOM 1976 CG ASN A 127 -21.927 10.008 -2.846 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.572 8.922 -2.440 1.00 1.63 O flip ATOM 1978 ND2 ASN A 127 -21.679 10.221 -4.035 1.00 1.49 N flip ATOM 0 H ASN A 127 -20.488 9.503 0.163 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.428 10.814 -2.263 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.146 10.867 -0.898 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -21.690 12.015 -2.141 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -21.181 11.068 -4.308 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -21.972 9.550 -4.745 1.00 1.49 H new ATOM 1985 N SER A 128 -18.602 11.907 0.283 1.00 1.34 N ATOM 1986 CA SER A 128 -18.106 13.003 1.104 1.00 1.37 C ATOM 1987 C SER A 128 -16.967 13.725 0.388 1.00 1.36 C ATOM 1988 O SER A 128 -16.316 13.158 -0.496 1.00 1.34 O ATOM 1989 CB SER A 128 -17.629 12.482 2.461 1.00 1.32 C ATOM 1990 OG SER A 128 -16.490 11.653 2.319 1.00 2.04 O ATOM 0 H SER A 128 -18.112 11.022 0.415 1.00 1.34 H new ATOM 0 HA SER A 128 -18.921 13.708 1.269 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.391 13.322 3.113 1.00 1.32 H new ATOM 0 HB3 SER A 128 -18.432 11.923 2.941 1.00 1.32 H new ATOM 0 HG SER A 128 -16.757 10.795 1.928 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.724 14.974 0.768 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.665 15.761 0.158 1.00 1.43 C ATOM 1998 C PHE A 129 -14.303 15.286 0.647 1.00 1.32 C ATOM 1999 O PHE A 129 -13.324 15.323 -0.096 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.849 17.252 0.460 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.873 18.128 -0.273 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -14.910 18.221 -1.656 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.912 18.850 0.419 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -14.008 19.014 -2.336 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -13.012 19.647 -0.258 1.00 3.66 C ATOM 2006 CZ PHE A 129 -13.058 19.727 -1.636 1.00 3.82 C ATOM 0 H PHE A 129 -17.247 15.461 1.496 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.718 15.623 -0.922 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.864 17.548 0.194 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.740 17.415 1.532 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -15.654 17.666 -2.208 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.868 18.788 1.496 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -14.046 19.076 -3.414 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -12.271 20.209 0.290 1.00 3.66 H new ATOM 0 HZ PHE A 129 -12.350 20.348 -2.165 1.00 3.82 H new ATOM 2016 N VAL A 130 -14.254 14.821 1.891 1.00 1.34 N ATOM 2017 CA VAL A 130 -13.007 14.332 2.472 1.00 1.27 C ATOM 2018 C VAL A 130 -12.448 13.189 1.632 1.00 1.13 C ATOM 2019 O VAL A 130 -11.257 13.160 1.311 1.00 1.06 O ATOM 2020 CB VAL A 130 -13.207 13.848 3.923 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -11.897 13.340 4.513 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.783 14.959 4.784 1.00 1.53 C ATOM 0 H VAL A 130 -15.059 14.772 2.515 1.00 1.34 H new ATOM 0 HA VAL A 130 -12.303 15.164 2.481 1.00 1.27 H new ATOM 0 HB VAL A 130 -13.916 13.020 3.907 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -12.065 13.005 5.536 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.527 12.508 3.914 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -11.161 14.144 4.511 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -13.916 14.597 5.804 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -13.100 15.808 4.787 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.747 15.270 4.380 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.329 12.266 1.261 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.952 11.121 0.443 1.00 1.01 C ATOM 2034 C VAL A 131 -12.431 11.582 -0.916 1.00 0.96 C ATOM 2035 O VAL A 131 -11.459 11.028 -1.431 1.00 0.90 O ATOM 2036 CB VAL A 131 -14.136 10.142 0.265 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.921 9.200 -0.914 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.345 9.351 1.547 1.00 1.08 C ATOM 0 H VAL A 131 -14.316 12.290 1.517 1.00 1.11 H new ATOM 0 HA VAL A 131 -12.154 10.590 0.961 1.00 1.01 H new ATOM 0 HB VAL A 131 -15.029 10.729 0.051 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.775 8.529 -1.004 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.818 9.781 -1.830 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -13.016 8.615 -0.752 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.180 8.662 1.418 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.442 8.787 1.778 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.563 10.036 2.366 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.056 12.619 -1.469 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.651 13.167 -2.762 1.00 1.01 C ATOM 2050 C LYS A 132 -11.181 13.575 -2.746 1.00 0.96 C ATOM 2051 O LYS A 132 -10.407 13.185 -3.622 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.510 14.378 -3.121 1.00 1.11 C ATOM 2053 CG LYS A 132 -14.893 14.020 -3.633 1.00 1.32 C ATOM 2054 CD LYS A 132 -15.748 15.262 -3.822 1.00 1.44 C ATOM 2055 CE LYS A 132 -16.762 15.065 -4.935 1.00 1.93 C ATOM 2056 NZ LYS A 132 -16.193 15.360 -6.277 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.848 13.098 -1.040 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.792 12.389 -3.512 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.612 15.013 -2.241 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -12.993 14.966 -3.880 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -14.806 13.487 -4.580 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.380 13.344 -2.930 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -16.266 15.496 -2.892 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.110 16.114 -4.054 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.125 14.037 -4.915 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -17.622 15.710 -4.758 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -16.922 15.211 -7.004 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -15.870 16.348 -6.308 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -15.388 14.727 -6.460 1.00 2.43 H new ATOM 2070 N SER A 133 -10.801 14.352 -1.736 1.00 0.99 N ATOM 2071 CA SER A 133 -9.423 14.809 -1.592 1.00 0.96 C ATOM 2072 C SER A 133 -8.469 13.627 -1.397 1.00 0.88 C ATOM 2073 O SER A 133 -7.320 13.657 -1.841 1.00 0.86 O ATOM 2074 CB SER A 133 -9.313 15.786 -0.413 1.00 1.04 C ATOM 2075 OG SER A 133 -10.389 15.617 0.503 1.00 1.47 O ATOM 0 H SER A 133 -11.431 14.679 -1.003 1.00 0.99 H new ATOM 0 HA SER A 133 -9.136 15.325 -2.508 1.00 0.96 H new ATOM 0 HB2 SER A 133 -8.366 15.630 0.103 1.00 1.04 H new ATOM 0 HB3 SER A 133 -9.308 16.810 -0.786 1.00 1.04 H new ATOM 0 HG SER A 133 -10.499 14.665 0.707 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.962 12.573 -0.753 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.155 11.384 -0.502 1.00 0.79 C ATOM 2083 C LEU A 134 -7.933 10.598 -1.792 1.00 0.72 C ATOM 2084 O LEU A 134 -6.889 9.972 -1.972 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.805 10.493 0.562 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.844 11.085 1.974 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.607 10.165 2.915 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -7.433 11.327 2.494 1.00 0.93 C ATOM 0 H LEU A 134 -9.916 12.518 -0.396 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.186 11.712 -0.126 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.825 10.269 0.251 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -8.267 9.546 0.597 1.00 0.80 H new ATOM 0 HG LEU A 134 -9.362 12.043 1.930 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -9.625 10.600 3.914 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.628 10.041 2.554 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -9.115 9.193 2.952 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -7.483 11.748 3.498 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.889 10.383 2.522 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.916 12.024 1.834 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.913 10.633 -2.689 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.799 9.936 -3.964 1.00 0.69 C ATOM 2102 C VAL A 135 -7.717 10.589 -4.824 1.00 0.68 C ATOM 2103 O VAL A 135 -6.847 9.909 -5.367 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.143 9.929 -4.732 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -9.976 9.339 -6.125 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.199 9.154 -3.959 1.00 0.80 C ATOM 0 H VAL A 135 -9.791 11.134 -2.557 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.525 8.902 -3.753 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.472 10.963 -4.835 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -10.936 9.347 -6.641 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.257 9.933 -6.688 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.616 8.313 -6.045 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.136 9.161 -4.516 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.867 8.125 -3.821 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.352 9.620 -2.985 1.00 0.80 H new ATOM 2116 N ALA A 136 -7.760 11.915 -4.907 1.00 0.74 N ATOM 2117 CA ALA A 136 -6.787 12.667 -5.692 1.00 0.75 C ATOM 2118 C ALA A 136 -5.379 12.496 -5.136 1.00 0.70 C ATOM 2119 O ALA A 136 -4.414 12.410 -5.891 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.164 14.139 -5.734 1.00 0.85 C ATOM 0 H ALA A 136 -8.459 12.492 -4.439 1.00 0.74 H new ATOM 0 HA ALA A 136 -6.798 12.272 -6.708 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -6.428 14.686 -6.323 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.148 14.250 -6.189 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.186 14.538 -4.720 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.267 12.433 -3.812 1.00 0.72 N ATOM 2127 CA GLN A 137 -3.976 12.272 -3.159 1.00 0.71 C ATOM 2128 C GLN A 137 -3.338 10.932 -3.513 1.00 0.63 C ATOM 2129 O GLN A 137 -2.115 10.824 -3.607 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.130 12.382 -1.646 1.00 0.78 C ATOM 2131 CG GLN A 137 -3.550 13.662 -1.076 1.00 0.84 C ATOM 2132 CD GLN A 137 -3.465 13.649 0.435 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.325 12.594 1.057 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -3.544 14.824 1.037 1.00 1.39 N ATOM 0 H GLN A 137 -6.058 12.491 -3.171 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.323 13.069 -3.516 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -5.188 12.325 -1.390 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.642 11.529 -1.175 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -2.554 13.819 -1.489 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -4.163 14.505 -1.393 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -3.660 15.673 0.484 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -3.489 14.881 2.054 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.170 9.919 -3.723 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.680 8.589 -4.064 1.00 0.52 C ATOM 2145 C GLN A 138 -3.015 8.599 -5.437 1.00 0.55 C ATOM 2146 O GLN A 138 -1.948 8.014 -5.622 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.827 7.577 -4.019 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.320 7.295 -2.608 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.503 6.351 -2.566 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.340 5.131 -2.546 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.701 6.909 -2.530 1.00 0.61 N ATOM 0 H GLN A 138 -5.186 9.993 -3.663 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.931 8.292 -3.330 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.657 7.950 -4.619 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.498 6.644 -4.476 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.504 6.870 -2.023 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.597 8.236 -2.132 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.791 7.925 -2.548 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.535 6.324 -2.484 1.00 0.61 H new ATOM 2160 N GLU A 139 -3.636 9.293 -6.386 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.100 9.387 -7.736 1.00 0.67 C ATOM 2162 C GLU A 139 -1.944 10.381 -7.792 1.00 0.64 C ATOM 2163 O GLU A 139 -0.957 10.155 -8.496 1.00 0.66 O ATOM 2164 CB GLU A 139 -4.189 9.803 -8.724 1.00 0.78 C ATOM 2165 CG GLU A 139 -5.068 8.653 -9.177 1.00 1.18 C ATOM 2166 CD GLU A 139 -6.028 9.057 -10.270 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -6.682 10.108 -10.133 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -6.131 8.327 -11.279 1.00 2.82 O ATOM 0 H GLU A 139 -4.511 9.798 -6.243 1.00 0.60 H new ATOM 0 HA GLU A 139 -2.729 8.401 -8.016 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -4.814 10.567 -8.262 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -3.721 10.258 -9.597 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -4.439 7.837 -9.533 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -5.631 8.273 -8.325 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.069 11.474 -7.044 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.038 12.510 -7.005 1.00 0.65 C ATOM 2177 C LYS A 140 0.315 11.913 -6.646 1.00 0.63 C ATOM 2178 O LYS A 140 1.311 12.145 -7.335 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.404 13.594 -5.986 1.00 0.71 C ATOM 2180 CG LYS A 140 -0.266 14.564 -5.682 1.00 0.85 C ATOM 2181 CD LYS A 140 -0.496 15.306 -4.372 1.00 1.16 C ATOM 2182 CE LYS A 140 0.781 15.974 -3.871 1.00 1.57 C ATOM 2183 NZ LYS A 140 1.105 17.211 -4.626 1.00 1.95 N1+ ATOM 0 H LYS A 140 -2.878 11.667 -6.453 1.00 0.64 H new ATOM 0 HA LYS A 140 -0.976 12.956 -7.997 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.259 14.157 -6.360 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -1.719 13.116 -5.058 1.00 0.71 H new ATOM 0 HG2 LYS A 140 0.675 14.017 -5.630 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -0.173 15.283 -6.496 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -1.271 16.060 -4.512 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.862 14.609 -3.618 1.00 1.16 H new ATOM 0 HE2 LYS A 140 0.671 16.215 -2.814 1.00 1.57 H new ATOM 0 HE3 LYS A 140 1.611 15.273 -3.954 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 1.980 17.628 -4.249 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 1.237 16.980 -5.631 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 0.326 17.892 -4.527 1.00 1.95 H new ATOM 2197 N ALA A 141 0.344 11.133 -5.574 1.00 0.62 N ATOM 2198 CA ALA A 141 1.576 10.516 -5.113 1.00 0.62 C ATOM 2199 C ALA A 141 2.094 9.486 -6.112 1.00 0.58 C ATOM 2200 O ALA A 141 3.277 9.482 -6.453 1.00 0.60 O ATOM 2201 CB ALA A 141 1.357 9.883 -3.749 1.00 0.65 C ATOM 0 H ALA A 141 -0.475 10.913 -5.007 1.00 0.62 H new ATOM 0 HA ALA A 141 2.336 11.293 -5.026 1.00 0.62 H new ATOM 0 HB1 ALA A 141 2.284 9.422 -3.409 1.00 0.65 H new ATOM 0 HB2 ALA A 141 1.050 10.649 -3.037 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.579 9.123 -3.821 1.00 0.65 H new ATOM 2207 N ALA A 142 1.198 8.628 -6.590 1.00 0.56 N ATOM 2208 CA ALA A 142 1.554 7.578 -7.541 1.00 0.54 C ATOM 2209 C ALA A 142 2.190 8.144 -8.812 1.00 0.57 C ATOM 2210 O ALA A 142 3.227 7.661 -9.268 1.00 0.61 O ATOM 2211 CB ALA A 142 0.323 6.752 -7.893 1.00 0.53 C ATOM 0 H ALA A 142 0.211 8.639 -6.332 1.00 0.56 H new ATOM 0 HA ALA A 142 2.296 6.940 -7.062 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.599 5.972 -8.603 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.079 6.295 -6.989 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.433 7.398 -8.340 1.00 0.53 H new ATOM 2217 N ALA A 143 1.577 9.182 -9.368 1.00 0.58 N ATOM 2218 CA ALA A 143 2.072 9.793 -10.596 1.00 0.63 C ATOM 2219 C ALA A 143 3.334 10.623 -10.369 1.00 0.66 C ATOM 2220 O ALA A 143 4.154 10.773 -11.275 1.00 0.72 O ATOM 2221 CB ALA A 143 0.984 10.650 -11.228 1.00 0.69 C ATOM 0 H ALA A 143 0.737 9.618 -8.988 1.00 0.58 H new ATOM 0 HA ALA A 143 2.341 8.983 -11.274 1.00 0.63 H new ATOM 0 HB1 ALA A 143 1.363 11.102 -12.144 1.00 0.69 H new ATOM 0 HB2 ALA A 143 0.120 10.028 -11.461 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.689 11.435 -10.532 1.00 0.69 H new ATOM 2227 N ASP A 144 3.498 11.145 -9.162 1.00 0.67 N ATOM 2228 CA ASP A 144 4.654 11.984 -8.843 1.00 0.71 C ATOM 2229 C ASP A 144 5.912 11.151 -8.601 1.00 0.72 C ATOM 2230 O ASP A 144 7.023 11.591 -8.897 1.00 0.79 O ATOM 2231 CB ASP A 144 4.359 12.850 -7.614 1.00 0.73 C ATOM 2232 CG ASP A 144 4.929 14.249 -7.743 1.00 0.85 C ATOM 2233 OD1 ASP A 144 5.298 14.643 -8.869 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 5.000 14.972 -6.726 1.00 1.39 O ATOM 0 H ASP A 144 2.850 11.006 -8.387 1.00 0.67 H new ATOM 0 HA ASP A 144 4.839 12.626 -9.704 1.00 0.71 H new ATOM 0 HB2 ASP A 144 3.281 12.912 -7.467 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.775 12.371 -6.727 1.00 0.73 H new ATOM 2239 N VAL A 145 5.739 9.942 -8.080 1.00 0.68 N ATOM 2240 CA VAL A 145 6.874 9.068 -7.793 1.00 0.70 C ATOM 2241 C VAL A 145 7.191 8.133 -8.960 1.00 0.70 C ATOM 2242 O VAL A 145 8.096 7.301 -8.861 1.00 0.75 O ATOM 2243 CB VAL A 145 6.628 8.219 -6.527 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.399 9.118 -5.320 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.454 7.273 -6.730 1.00 1.34 C ATOM 0 H VAL A 145 4.829 9.544 -7.848 1.00 0.68 H new ATOM 0 HA VAL A 145 7.727 9.727 -7.629 1.00 0.70 H new ATOM 0 HB VAL A 145 7.516 7.615 -6.340 1.00 0.68 H new ATOM 0 HG11 VAL A 145 6.227 8.504 -4.436 1.00 1.34 H new ATOM 0 HG12 VAL A 145 7.277 9.745 -5.161 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.529 9.750 -5.497 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.300 6.685 -5.825 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.555 7.850 -6.946 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.665 6.605 -7.565 1.00 1.34 H new ATOM 2255 N GLN A 146 6.454 8.288 -10.064 1.00 0.68 N ATOM 2256 CA GLN A 146 6.642 7.452 -11.254 1.00 0.71 C ATOM 2257 C GLN A 146 6.396 5.987 -10.911 1.00 0.63 C ATOM 2258 O GLN A 146 7.224 5.116 -11.191 1.00 0.69 O ATOM 2259 CB GLN A 146 8.050 7.626 -11.836 1.00 0.86 C ATOM 2260 CG GLN A 146 8.469 9.072 -12.024 1.00 1.03 C ATOM 2261 CD GLN A 146 9.973 9.228 -12.122 1.00 1.30 C ATOM 2262 OE1 GLN A 146 10.539 9.254 -13.216 1.00 1.61 O ATOM 2263 NE2 GLN A 146 10.635 9.317 -10.979 1.00 1.95 N ATOM 0 H GLN A 146 5.718 8.988 -10.158 1.00 0.68 H new ATOM 0 HA GLN A 146 5.921 7.770 -12.007 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.767 7.134 -11.178 1.00 0.86 H new ATOM 0 HB3 GLN A 146 8.099 7.117 -12.799 1.00 0.86 H new ATOM 0 HG2 GLN A 146 8.006 9.467 -12.928 1.00 1.03 H new ATOM 0 HG3 GLN A 146 8.098 9.667 -11.189 1.00 1.03 H new ATOM 0 HE21 GLN A 146 10.129 9.292 -10.093 1.00 1.95 H new ATOM 0 HE22 GLN A 146 11.651 9.411 -10.984 1.00 1.95 H new ATOM 2272 N LEU A 147 5.250 5.730 -10.293 1.00 0.55 N ATOM 2273 CA LEU A 147 4.869 4.388 -9.875 1.00 0.49 C ATOM 2274 C LEU A 147 4.735 3.449 -11.071 1.00 0.50 C ATOM 2275 O LEU A 147 3.787 3.545 -11.848 1.00 0.62 O ATOM 2276 CB LEU A 147 3.554 4.446 -9.094 1.00 0.51 C ATOM 2277 CG LEU A 147 3.170 3.162 -8.366 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.261 2.738 -7.398 1.00 0.71 C ATOM 2279 CD2 LEU A 147 1.852 3.348 -7.636 1.00 0.55 C ATOM 0 H LEU A 147 4.559 6.446 -10.068 1.00 0.55 H new ATOM 0 HA LEU A 147 5.656 3.993 -9.232 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.620 5.252 -8.363 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.752 4.706 -9.785 1.00 0.51 H new ATOM 0 HG LEU A 147 3.052 2.371 -9.106 1.00 0.46 H new ATOM 0 HD11 LEU A 147 3.962 1.820 -6.892 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.187 2.565 -7.946 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.418 3.524 -6.660 1.00 0.71 H new ATOM 0 HD21 LEU A 147 1.588 2.425 -7.120 1.00 0.55 H new ATOM 0 HD22 LEU A 147 1.949 4.155 -6.909 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.071 3.598 -8.354 1.00 0.55 H new ATOM 2291 N ARG A 148 5.705 2.555 -11.215 1.00 0.53 N ATOM 2292 CA ARG A 148 5.708 1.591 -12.310 1.00 0.64 C ATOM 2293 C ARG A 148 5.302 0.203 -11.813 1.00 0.61 C ATOM 2294 O ARG A 148 5.204 -0.747 -12.594 1.00 1.08 O ATOM 2295 CB ARG A 148 7.097 1.528 -12.953 1.00 0.84 C ATOM 2296 CG ARG A 148 7.486 2.798 -13.703 1.00 1.02 C ATOM 2297 CD ARG A 148 8.992 2.905 -13.898 1.00 1.75 C ATOM 2298 NE ARG A 148 9.381 4.192 -14.474 1.00 2.46 N ATOM 2299 CZ ARG A 148 10.238 5.039 -13.904 1.00 3.34 C ATOM 2300 NH1 ARG A 148 10.829 4.731 -12.753 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 10.503 6.199 -14.486 1.00 4.16 N ATOM 0 H ARG A 148 6.503 2.477 -10.585 1.00 0.53 H new ATOM 0 HA ARG A 148 4.982 1.918 -13.055 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.838 1.334 -12.177 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.130 0.685 -13.643 1.00 0.84 H new ATOM 0 HG2 ARG A 148 6.993 2.811 -14.675 1.00 1.02 H new ATOM 0 HG3 ARG A 148 7.129 3.668 -13.152 1.00 1.02 H new ATOM 0 HD2 ARG A 148 9.492 2.771 -12.939 1.00 1.75 H new ATOM 0 HD3 ARG A 148 9.331 2.099 -14.549 1.00 1.75 H new ATOM 0 HE ARG A 148 8.970 4.458 -15.369 1.00 2.46 H new ATOM 0 HH11 ARG A 148 10.628 3.840 -12.299 1.00 3.78 H new ATOM 0 HH12 ARG A 148 11.483 5.386 -12.325 1.00 3.78 H new ATOM 0 HH21 ARG A 148 10.052 6.442 -15.368 1.00 4.16 H new ATOM 0 HH22 ARG A 148 11.158 6.849 -14.052 1.00 4.16 H new ATOM 2315 N GLY A 149 5.060 0.094 -10.516 1.00 0.49 N ATOM 2316 CA GLY A 149 4.679 -1.177 -9.936 1.00 0.45 C ATOM 2317 C GLY A 149 3.495 -1.043 -9.005 1.00 0.42 C ATOM 2318 O GLY A 149 2.979 0.057 -8.818 1.00 0.68 O ATOM 0 H GLY A 149 5.121 0.866 -9.852 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.436 -1.881 -10.732 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.525 -1.594 -9.389 1.00 0.45 H new ATOM 2322 N VAL A 150 3.059 -2.151 -8.421 1.00 0.31 N ATOM 2323 CA VAL A 150 1.922 -2.117 -7.508 1.00 0.32 C ATOM 2324 C VAL A 150 2.379 -2.070 -6.048 1.00 0.33 C ATOM 2325 O VAL A 150 2.101 -1.097 -5.358 1.00 0.38 O ATOM 2326 CB VAL A 150 0.949 -3.301 -7.715 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.485 -2.831 -7.566 1.00 0.45 C ATOM 2328 CG2 VAL A 150 1.156 -3.959 -9.069 1.00 0.49 C ATOM 0 H VAL A 150 3.469 -3.075 -8.560 1.00 0.31 H new ATOM 0 HA VAL A 150 1.380 -1.201 -7.742 1.00 0.32 H new ATOM 0 HB VAL A 150 1.158 -4.048 -6.949 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.161 -3.673 -7.714 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.631 -2.419 -6.567 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.695 -2.062 -8.310 1.00 0.45 H new ATOM 0 HG21 VAL A 150 0.456 -4.787 -9.182 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.984 -3.228 -9.859 1.00 0.49 H new ATOM 0 HG23 VAL A 150 2.177 -4.335 -9.139 1.00 0.49 H new ATOM 2338 N PRO A 151 3.105 -3.097 -5.547 1.00 0.35 N ATOM 2339 CA PRO A 151 3.569 -3.132 -4.163 1.00 0.41 C ATOM 2340 C PRO A 151 4.895 -2.398 -3.991 1.00 0.40 C ATOM 2341 O PRO A 151 5.925 -3.005 -3.686 1.00 0.56 O ATOM 2342 CB PRO A 151 3.748 -4.634 -3.880 1.00 0.50 C ATOM 2343 CG PRO A 151 3.531 -5.341 -5.185 1.00 0.53 C ATOM 2344 CD PRO A 151 3.565 -4.292 -6.260 1.00 0.37 C ATOM 0 HA PRO A 151 2.872 -2.641 -3.484 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.744 -4.839 -3.488 1.00 0.50 H new ATOM 0 HB3 PRO A 151 3.034 -4.975 -3.130 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.305 -6.090 -5.352 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.575 -5.865 -5.186 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.567 -4.161 -6.668 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.911 -4.544 -7.095 1.00 0.37 H new ATOM 2352 N ALA A 152 4.868 -1.092 -4.199 1.00 0.38 N ATOM 2353 CA ALA A 152 6.065 -0.278 -4.080 1.00 0.38 C ATOM 2354 C ALA A 152 5.991 0.608 -2.847 1.00 0.40 C ATOM 2355 O ALA A 152 4.941 1.173 -2.539 1.00 0.63 O ATOM 2356 CB ALA A 152 6.253 0.565 -5.330 1.00 0.40 C ATOM 0 H ALA A 152 4.028 -0.572 -4.452 1.00 0.38 H new ATOM 0 HA ALA A 152 6.924 -0.940 -3.973 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.154 1.171 -5.228 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.351 -0.088 -6.198 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.390 1.218 -5.462 1.00 0.40 H new ATOM 2362 N MET A 153 7.109 0.720 -2.146 1.00 0.32 N ATOM 2363 CA MET A 153 7.184 1.538 -0.944 1.00 0.31 C ATOM 2364 C MET A 153 8.152 2.696 -1.156 1.00 0.31 C ATOM 2365 O MET A 153 9.219 2.529 -1.752 1.00 0.34 O ATOM 2366 CB MET A 153 7.624 0.680 0.244 1.00 0.34 C ATOM 2367 CG MET A 153 7.236 1.254 1.597 1.00 0.35 C ATOM 2368 SD MET A 153 7.442 0.064 2.934 1.00 0.38 S ATOM 2369 CE MET A 153 6.274 -1.208 2.444 1.00 0.42 C ATOM 0 H MET A 153 7.982 0.252 -2.390 1.00 0.32 H new ATOM 0 HA MET A 153 6.197 1.949 -0.731 1.00 0.31 H new ATOM 0 HB2 MET A 153 7.187 -0.314 0.143 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.707 0.557 0.210 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.844 2.135 1.802 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.197 1.583 1.564 1.00 0.35 H new ATOM 0 HE1 MET A 153 6.128 -1.905 3.269 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.321 -0.747 2.186 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.663 -1.746 1.579 1.00 0.42 H new ATOM 2379 N PHE A 154 7.764 3.872 -0.683 1.00 0.33 N ATOM 2380 CA PHE A 154 8.577 5.069 -0.826 1.00 0.36 C ATOM 2381 C PHE A 154 8.773 5.742 0.526 1.00 0.38 C ATOM 2382 O PHE A 154 7.815 5.959 1.268 1.00 0.43 O ATOM 2383 CB PHE A 154 7.916 6.057 -1.798 1.00 0.39 C ATOM 2384 CG PHE A 154 7.775 5.531 -3.198 1.00 0.39 C ATOM 2385 CD1 PHE A 154 6.701 4.725 -3.547 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.715 5.843 -4.165 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.570 4.237 -4.831 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.591 5.360 -5.455 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.516 4.554 -5.790 1.00 0.48 C ATOM 0 H PHE A 154 6.882 4.022 -0.193 1.00 0.33 H new ATOM 0 HA PHE A 154 9.548 4.773 -1.224 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.929 6.320 -1.418 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.503 6.975 -1.823 1.00 0.39 H new ATOM 0 HD1 PHE A 154 5.958 4.476 -2.804 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.555 6.471 -3.909 1.00 0.45 H new ATOM 0 HE1 PHE A 154 5.730 3.608 -5.087 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.332 5.611 -6.200 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.416 4.174 -6.796 1.00 0.48 H new ATOM 2399 N VAL A 155 10.010 6.078 0.845 1.00 0.40 N ATOM 2400 CA VAL A 155 10.313 6.729 2.108 1.00 0.43 C ATOM 2401 C VAL A 155 10.470 8.234 1.915 1.00 0.46 C ATOM 2402 O VAL A 155 11.346 8.683 1.165 1.00 0.48 O ATOM 2403 CB VAL A 155 11.593 6.154 2.749 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.876 6.826 4.082 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.468 4.650 2.928 1.00 0.47 C ATOM 0 H VAL A 155 10.820 5.911 0.248 1.00 0.40 H new ATOM 0 HA VAL A 155 9.476 6.537 2.779 1.00 0.43 H new ATOM 0 HB VAL A 155 12.430 6.355 2.080 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.783 6.405 4.516 1.00 0.55 H new ATOM 0 HG12 VAL A 155 12.010 7.897 3.928 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.038 6.659 4.759 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.380 4.261 3.381 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.618 4.430 3.575 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.316 4.179 1.957 1.00 0.47 H new ATOM 2415 N ASN A 156 9.593 8.997 2.571 1.00 0.49 N ATOM 2416 CA ASN A 156 9.594 10.463 2.506 1.00 0.55 C ATOM 2417 C ASN A 156 9.378 10.962 1.081 1.00 0.54 C ATOM 2418 O ASN A 156 9.600 12.135 0.786 1.00 0.58 O ATOM 2419 CB ASN A 156 10.902 11.034 3.063 1.00 0.61 C ATOM 2420 CG ASN A 156 10.992 10.935 4.575 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.986 11.010 5.281 1.00 1.16 O ATOM 2422 ND2 ASN A 156 12.200 10.765 5.081 1.00 1.01 N ATOM 0 H ASN A 156 8.858 8.615 3.166 1.00 0.49 H new ATOM 0 HA ASN A 156 8.764 10.812 3.120 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.743 10.503 2.618 1.00 0.61 H new ATOM 0 HB3 ASN A 156 10.992 12.079 2.766 1.00 0.61 H new ATOM 0 HD21 ASN A 156 12.324 10.691 6.091 1.00 1.01 H new ATOM 0 HD22 ASN A 156 13.009 10.708 4.462 1.00 1.01 H new ATOM 2429 N GLY A 157 8.945 10.061 0.198 1.00 0.51 N ATOM 2430 CA GLY A 157 8.720 10.421 -1.189 1.00 0.52 C ATOM 2431 C GLY A 157 10.006 10.825 -1.880 1.00 0.53 C ATOM 2432 O GLY A 157 9.983 11.567 -2.862 1.00 0.56 O ATOM 0 H GLY A 157 8.746 9.086 0.423 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.274 9.578 -1.716 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.006 11.243 -1.240 1.00 0.52 H new ATOM 2436 N LYS A 158 11.129 10.342 -1.351 1.00 0.52 N ATOM 2437 CA LYS A 158 12.439 10.654 -1.908 1.00 0.55 C ATOM 2438 C LYS A 158 13.204 9.374 -2.243 1.00 0.53 C ATOM 2439 O LYS A 158 13.817 9.259 -3.306 1.00 0.58 O ATOM 2440 CB LYS A 158 13.254 11.495 -0.915 1.00 0.61 C ATOM 2441 CG LYS A 158 12.551 12.773 -0.480 1.00 0.75 C ATOM 2442 CD LYS A 158 13.022 13.247 0.883 1.00 0.96 C ATOM 2443 CE LYS A 158 14.130 14.277 0.764 1.00 1.30 C ATOM 2444 NZ LYS A 158 14.484 14.859 2.084 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.155 9.731 -0.535 1.00 0.52 H new ATOM 0 HA LYS A 158 12.289 11.224 -2.825 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.472 10.892 -0.034 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.211 11.753 -1.369 1.00 0.61 H new ATOM 0 HG2 LYS A 158 12.731 13.555 -1.218 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.475 12.603 -0.452 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.182 13.676 1.430 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.377 12.395 1.462 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.012 13.813 0.323 1.00 1.30 H new ATOM 0 HE3 LYS A 158 13.816 15.072 0.088 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 15.244 15.558 1.962 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 13.649 15.323 2.494 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.807 14.103 2.721 1.00 1.75 H new ATOM 2458 N TYR A 159 13.164 8.419 -1.327 1.00 0.50 N ATOM 2459 CA TYR A 159 13.853 7.155 -1.513 1.00 0.49 C ATOM 2460 C TYR A 159 12.871 6.064 -1.919 1.00 0.44 C ATOM 2461 O TYR A 159 11.873 5.827 -1.233 1.00 0.45 O ATOM 2462 CB TYR A 159 14.578 6.758 -0.226 1.00 0.53 C ATOM 2463 CG TYR A 159 15.578 7.785 0.269 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.736 8.060 -0.450 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.373 8.465 1.465 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.662 8.976 0.010 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.297 9.389 1.929 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.436 9.639 1.200 1.00 0.96 C ATOM 2469 OH TYR A 159 18.364 10.547 1.667 1.00 1.16 O ATOM 0 H TYR A 159 12.659 8.498 -0.444 1.00 0.50 H new ATOM 0 HA TYR A 159 14.586 7.274 -2.311 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.838 6.583 0.555 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.096 5.814 -0.391 1.00 0.53 H new ATOM 0 HD1 TYR A 159 16.915 7.549 -1.384 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.480 8.270 2.041 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.559 9.173 -0.559 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.123 9.910 2.859 1.00 0.89 H new ATOM 0 HH TYR A 159 18.053 10.926 2.516 1.00 1.16 H new ATOM 2479 N GLN A 160 13.152 5.411 -3.035 1.00 0.43 N ATOM 2480 CA GLN A 160 12.307 4.339 -3.535 1.00 0.40 C ATOM 2481 C GLN A 160 12.981 2.992 -3.293 1.00 0.40 C ATOM 2482 O GLN A 160 14.187 2.861 -3.471 1.00 0.46 O ATOM 2483 CB GLN A 160 12.050 4.525 -5.034 1.00 0.44 C ATOM 2484 CG GLN A 160 11.399 3.320 -5.694 1.00 0.48 C ATOM 2485 CD GLN A 160 11.603 3.287 -7.195 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.618 3.760 -7.710 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.642 2.723 -7.908 1.00 0.91 N ATOM 0 H GLN A 160 13.967 5.607 -3.616 1.00 0.43 H new ATOM 0 HA GLN A 160 11.355 4.366 -3.005 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.412 5.397 -5.179 1.00 0.44 H new ATOM 0 HB3 GLN A 160 12.996 4.735 -5.533 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.807 2.408 -5.257 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.331 3.327 -5.478 1.00 0.48 H new ATOM 0 HE21 GLN A 160 9.818 2.343 -7.443 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.726 2.668 -8.923 1.00 0.91 H new ATOM 2496 N LEU A 161 12.207 2.000 -2.881 1.00 0.39 N ATOM 2497 CA LEU A 161 12.748 0.673 -2.633 1.00 0.40 C ATOM 2498 C LEU A 161 12.684 -0.181 -3.896 1.00 0.37 C ATOM 2499 O LEU A 161 11.697 -0.137 -4.632 1.00 0.37 O ATOM 2500 CB LEU A 161 11.998 -0.012 -1.491 1.00 0.45 C ATOM 2501 CG LEU A 161 12.489 0.355 -0.091 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.724 1.553 0.455 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.374 -0.835 0.845 1.00 1.20 C ATOM 0 H LEU A 161 11.205 2.088 -2.712 1.00 0.39 H new ATOM 0 HA LEU A 161 13.793 0.783 -2.343 1.00 0.40 H new ATOM 0 HB2 LEU A 161 10.940 0.239 -1.567 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.079 -1.092 -1.618 1.00 0.45 H new ATOM 0 HG LEU A 161 13.541 0.632 -0.160 1.00 0.51 H new ATOM 0 HD11 LEU A 161 12.091 1.795 1.452 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.870 2.409 -0.204 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.662 1.313 0.508 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.728 -0.554 1.837 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.332 -1.149 0.908 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.979 -1.658 0.464 1.00 1.20 H new ATOM 2515 N ASN A 162 13.740 -0.947 -4.141 1.00 0.40 N ATOM 2516 CA ASN A 162 13.815 -1.802 -5.318 1.00 0.41 C ATOM 2517 C ASN A 162 13.841 -3.278 -4.918 1.00 0.41 C ATOM 2518 O ASN A 162 14.803 -3.751 -4.317 1.00 0.45 O ATOM 2519 CB ASN A 162 15.062 -1.457 -6.137 1.00 0.50 C ATOM 2520 CG ASN A 162 15.240 -2.362 -7.343 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.274 -2.745 -8.002 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.481 -2.720 -7.630 1.00 0.72 N ATOM 0 H ASN A 162 14.560 -0.993 -3.536 1.00 0.40 H new ATOM 0 HA ASN A 162 12.928 -1.628 -5.926 1.00 0.41 H new ATOM 0 HB2 ASN A 162 14.997 -0.422 -6.471 1.00 0.50 H new ATOM 0 HB3 ASN A 162 15.943 -1.531 -5.499 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.664 -3.335 -8.423 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.255 -2.381 -7.059 1.00 0.72 H new ATOM 2529 N PRO A 163 12.778 -4.024 -5.256 1.00 0.41 N ATOM 2530 CA PRO A 163 12.671 -5.448 -4.935 1.00 0.43 C ATOM 2531 C PRO A 163 13.441 -6.331 -5.919 1.00 0.45 C ATOM 2532 O PRO A 163 13.345 -7.556 -5.884 1.00 0.52 O ATOM 2533 CB PRO A 163 11.169 -5.710 -5.048 1.00 0.46 C ATOM 2534 CG PRO A 163 10.691 -4.739 -6.073 1.00 0.54 C ATOM 2535 CD PRO A 163 11.582 -3.528 -5.967 1.00 0.43 C ATOM 0 HA PRO A 163 13.095 -5.682 -3.958 1.00 0.43 H new ATOM 0 HB2 PRO A 163 10.968 -6.737 -5.352 1.00 0.46 H new ATOM 0 HB3 PRO A 163 10.667 -5.556 -4.093 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.744 -5.173 -7.072 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.649 -4.470 -5.896 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.838 -3.133 -6.950 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.096 -2.722 -5.417 1.00 0.43 H new ATOM 2543 N GLN A 164 14.192 -5.701 -6.810 1.00 0.48 N ATOM 2544 CA GLN A 164 14.974 -6.430 -7.797 1.00 0.53 C ATOM 2545 C GLN A 164 16.465 -6.248 -7.546 1.00 0.54 C ATOM 2546 O GLN A 164 17.282 -6.435 -8.448 1.00 0.68 O ATOM 2547 CB GLN A 164 14.619 -5.970 -9.210 1.00 0.62 C ATOM 2548 CG GLN A 164 13.445 -6.721 -9.815 1.00 0.86 C ATOM 2549 CD GLN A 164 13.733 -8.198 -9.996 1.00 1.41 C ATOM 2550 OE1 GLN A 164 14.283 -8.615 -11.014 1.00 2.22 O ATOM 2551 NE2 GLN A 164 13.363 -9.002 -9.011 1.00 1.82 N ATOM 0 H GLN A 164 14.276 -4.686 -6.870 1.00 0.48 H new ATOM 0 HA GLN A 164 14.734 -7.489 -7.703 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.387 -4.905 -9.189 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.490 -6.094 -9.854 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.571 -6.600 -9.174 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.195 -6.282 -10.781 1.00 0.86 H new ATOM 0 HE21 GLN A 164 12.909 -8.618 -8.182 1.00 1.82 H new ATOM 0 HE22 GLN A 164 13.532 -10.005 -9.081 1.00 1.82 H new ATOM 2560 N GLY A 165 16.809 -5.876 -6.323 1.00 0.51 N ATOM 2561 CA GLY A 165 18.197 -5.673 -5.968 1.00 0.54 C ATOM 2562 C GLY A 165 18.497 -6.151 -4.565 1.00 0.50 C ATOM 2563 O GLY A 165 19.330 -5.574 -3.866 1.00 0.59 O ATOM 0 H GLY A 165 16.146 -5.710 -5.565 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.834 -6.203 -6.676 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.442 -4.614 -6.051 1.00 0.54 H new ATOM 2567 N MET A 166 17.811 -7.206 -4.150 1.00 0.45 N ATOM 2568 CA MET A 166 17.994 -7.766 -2.819 1.00 0.45 C ATOM 2569 C MET A 166 18.338 -9.246 -2.905 1.00 0.48 C ATOM 2570 O MET A 166 18.497 -9.789 -4.002 1.00 0.57 O ATOM 2571 CB MET A 166 16.737 -7.549 -1.974 1.00 0.43 C ATOM 2572 CG MET A 166 16.474 -6.085 -1.658 1.00 0.43 C ATOM 2573 SD MET A 166 14.960 -5.826 -0.715 1.00 0.48 S ATOM 2574 CE MET A 166 14.935 -4.036 -0.620 1.00 0.49 C ATOM 0 H MET A 166 17.119 -7.694 -4.719 1.00 0.45 H new ATOM 0 HA MET A 166 18.825 -7.252 -2.336 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.877 -7.961 -2.502 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.834 -8.104 -1.041 1.00 0.43 H new ATOM 0 HG2 MET A 166 17.318 -5.683 -1.097 1.00 0.43 H new ATOM 0 HG3 MET A 166 16.415 -5.523 -2.590 1.00 0.43 H new ATOM 0 HE1 MET A 166 13.914 -3.695 -0.448 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.571 -3.706 0.202 1.00 0.49 H new ATOM 0 HE3 MET A 166 15.305 -3.617 -1.556 1.00 0.49 H new ATOM 2584 N ASP A 167 18.461 -9.896 -1.755 1.00 0.55 N ATOM 2585 CA ASP A 167 18.812 -11.315 -1.720 1.00 0.62 C ATOM 2586 C ASP A 167 17.712 -12.179 -2.323 1.00 0.62 C ATOM 2587 O ASP A 167 16.548 -12.082 -1.943 1.00 0.79 O ATOM 2588 CB ASP A 167 19.093 -11.775 -0.290 1.00 0.80 C ATOM 2589 CG ASP A 167 19.776 -13.128 -0.257 1.00 0.94 C ATOM 2590 OD1 ASP A 167 19.072 -14.158 -0.226 1.00 1.38 O ATOM 2591 OD2 ASP A 167 21.028 -13.170 -0.285 1.00 1.54 O1- ATOM 0 H ASP A 167 18.325 -9.469 -0.839 1.00 0.55 H new ATOM 0 HA ASP A 167 19.715 -11.434 -2.319 1.00 0.62 H new ATOM 0 HB2 ASP A 167 19.721 -11.039 0.212 1.00 0.80 H new ATOM 0 HB3 ASP A 167 18.157 -11.827 0.266 1.00 0.80 H new ATOM 2596 N THR A 168 18.094 -13.022 -3.268 1.00 0.67 N ATOM 2597 CA THR A 168 17.153 -13.915 -3.921 1.00 0.79 C ATOM 2598 C THR A 168 17.487 -15.375 -3.615 1.00 0.86 C ATOM 2599 O THR A 168 17.011 -16.288 -4.286 1.00 1.04 O ATOM 2600 CB THR A 168 17.162 -13.699 -5.444 1.00 0.92 C ATOM 2601 OG1 THR A 168 17.842 -12.473 -5.756 1.00 1.03 O ATOM 2602 CG2 THR A 168 15.741 -13.649 -5.988 1.00 1.16 C ATOM 0 H THR A 168 19.054 -13.106 -3.601 1.00 0.67 H new ATOM 0 HA THR A 168 16.160 -13.688 -3.534 1.00 0.79 H new ATOM 0 HB THR A 168 17.684 -14.535 -5.910 1.00 0.92 H new ATOM 0 HG1 THR A 168 17.847 -12.340 -6.727 1.00 1.03 H new ATOM 0 HG21 THR A 168 15.770 -13.496 -7.067 1.00 1.16 H new ATOM 0 HG22 THR A 168 15.234 -14.589 -5.768 1.00 1.16 H new ATOM 0 HG23 THR A 168 15.201 -12.827 -5.519 1.00 1.16 H new ATOM 2610 N SER A 169 18.308 -15.588 -2.591 1.00 0.82 N ATOM 2611 CA SER A 169 18.709 -16.935 -2.199 1.00 0.89 C ATOM 2612 C SER A 169 17.766 -17.481 -1.129 1.00 0.80 C ATOM 2613 O SER A 169 17.499 -18.684 -1.067 1.00 0.93 O ATOM 2614 CB SER A 169 20.156 -16.925 -1.691 1.00 1.01 C ATOM 2615 OG SER A 169 20.737 -15.637 -1.838 1.00 1.53 O ATOM 0 H SER A 169 18.708 -14.845 -2.018 1.00 0.82 H new ATOM 0 HA SER A 169 18.651 -17.588 -3.070 1.00 0.89 H new ATOM 0 HB2 SER A 169 20.179 -17.221 -0.642 1.00 1.01 H new ATOM 0 HB3 SER A 169 20.744 -17.659 -2.242 1.00 1.01 H new ATOM 0 HG SER A 169 21.659 -15.654 -1.506 1.00 1.53 H new ATOM 2621 N ASN A 170 17.256 -16.588 -0.292 1.00 0.68 N ATOM 2622 CA ASN A 170 16.336 -16.973 0.766 1.00 0.69 C ATOM 2623 C ASN A 170 15.219 -15.945 0.889 1.00 0.63 C ATOM 2624 O ASN A 170 15.474 -14.751 1.060 1.00 0.60 O ATOM 2625 CB ASN A 170 17.082 -17.127 2.099 1.00 0.80 C ATOM 2626 CG ASN A 170 16.168 -17.495 3.256 1.00 0.91 C ATOM 2627 OD1 ASN A 170 15.052 -17.982 3.059 1.00 1.21 O ATOM 2628 ND2 ASN A 170 16.642 -17.289 4.475 1.00 1.14 N ATOM 0 H ASN A 170 17.465 -15.590 -0.326 1.00 0.68 H new ATOM 0 HA ASN A 170 15.894 -17.936 0.512 1.00 0.69 H new ATOM 0 HB2 ASN A 170 17.849 -17.894 1.992 1.00 0.80 H new ATOM 0 HB3 ASN A 170 17.594 -16.193 2.332 1.00 0.80 H new ATOM 0 HD21 ASN A 170 16.079 -17.535 5.289 1.00 1.14 H new ATOM 0 HD22 ASN A 170 17.570 -16.884 4.600 1.00 1.14 H new ATOM 2635 N MET A 171 13.981 -16.422 0.802 1.00 0.67 N ATOM 2636 CA MET A 171 12.801 -15.562 0.883 1.00 0.66 C ATOM 2637 C MET A 171 12.712 -14.864 2.235 1.00 0.59 C ATOM 2638 O MET A 171 12.254 -13.727 2.327 1.00 0.55 O ATOM 2639 CB MET A 171 11.534 -16.388 0.635 1.00 0.78 C ATOM 2640 CG MET A 171 10.284 -15.550 0.456 1.00 0.95 C ATOM 2641 SD MET A 171 8.827 -16.558 0.124 1.00 1.54 S ATOM 2642 CE MET A 171 9.195 -17.172 -1.523 1.00 1.96 C ATOM 0 H MET A 171 13.766 -17.411 0.674 1.00 0.67 H new ATOM 0 HA MET A 171 12.891 -14.794 0.114 1.00 0.66 H new ATOM 0 HB2 MET A 171 11.680 -17.001 -0.254 1.00 0.78 H new ATOM 0 HB3 MET A 171 11.386 -17.070 1.472 1.00 0.78 H new ATOM 0 HG2 MET A 171 10.115 -14.956 1.354 1.00 0.95 H new ATOM 0 HG3 MET A 171 10.433 -14.849 -0.366 1.00 0.95 H new ATOM 0 HE1 MET A 171 8.359 -16.955 -2.187 1.00 1.96 H new ATOM 0 HE2 MET A 171 10.094 -16.685 -1.900 1.00 1.96 H new ATOM 0 HE3 MET A 171 9.356 -18.249 -1.482 1.00 1.96 H new ATOM 2652 N ASP A 172 13.175 -15.542 3.274 1.00 0.63 N ATOM 2653 CA ASP A 172 13.140 -14.995 4.630 1.00 0.62 C ATOM 2654 C ASP A 172 14.008 -13.738 4.738 1.00 0.54 C ATOM 2655 O ASP A 172 13.656 -12.783 5.429 1.00 0.57 O ATOM 2656 CB ASP A 172 13.618 -16.040 5.636 1.00 0.70 C ATOM 2657 CG ASP A 172 13.147 -15.751 7.047 1.00 1.26 C ATOM 2658 OD1 ASP A 172 13.779 -14.920 7.730 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 12.148 -16.364 7.485 1.00 1.82 O ATOM 0 H ASP A 172 13.581 -16.475 3.208 1.00 0.63 H new ATOM 0 HA ASP A 172 12.109 -14.724 4.856 1.00 0.62 H new ATOM 0 HB2 ASP A 172 13.258 -17.023 5.331 1.00 0.70 H new ATOM 0 HB3 ASP A 172 14.707 -16.081 5.622 1.00 0.70 H new ATOM 2664 N VAL A 173 15.141 -13.742 4.043 1.00 0.51 N ATOM 2665 CA VAL A 173 16.052 -12.602 4.059 1.00 0.49 C ATOM 2666 C VAL A 173 15.449 -11.427 3.303 1.00 0.42 C ATOM 2667 O VAL A 173 15.527 -10.286 3.749 1.00 0.43 O ATOM 2668 CB VAL A 173 17.423 -12.959 3.441 1.00 0.55 C ATOM 2669 CG1 VAL A 173 18.370 -11.775 3.506 1.00 0.58 C ATOM 2670 CG2 VAL A 173 18.033 -14.160 4.146 1.00 0.65 C ATOM 0 H VAL A 173 15.450 -14.521 3.462 1.00 0.51 H new ATOM 0 HA VAL A 173 16.205 -12.326 5.102 1.00 0.49 H new ATOM 0 HB VAL A 173 17.263 -13.215 2.394 1.00 0.55 H new ATOM 0 HG11 VAL A 173 19.328 -12.051 3.065 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.944 -10.938 2.954 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.519 -11.485 4.546 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.998 -14.395 3.696 1.00 0.65 H new ATOM 0 HG22 VAL A 173 18.172 -13.930 5.202 1.00 0.65 H new ATOM 0 HG23 VAL A 173 17.367 -15.017 4.046 1.00 0.65 H new ATOM 2680 N PHE A 174 14.830 -11.723 2.164 1.00 0.42 N ATOM 2681 CA PHE A 174 14.201 -10.704 1.331 1.00 0.38 C ATOM 2682 C PHE A 174 13.173 -9.899 2.127 1.00 0.35 C ATOM 2683 O PHE A 174 13.202 -8.669 2.126 1.00 0.35 O ATOM 2684 CB PHE A 174 13.531 -11.356 0.116 1.00 0.41 C ATOM 2685 CG PHE A 174 12.820 -10.377 -0.776 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.534 -9.552 -1.629 1.00 0.42 C ATOM 2687 CD2 PHE A 174 11.436 -10.284 -0.757 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.881 -8.651 -2.448 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.780 -9.385 -1.576 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.503 -8.567 -2.422 1.00 0.45 C ATOM 0 H PHE A 174 14.751 -12.670 1.794 1.00 0.42 H new ATOM 0 HA PHE A 174 14.977 -10.020 0.989 1.00 0.38 H new ATOM 0 HB2 PHE A 174 14.287 -11.883 -0.466 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.818 -12.104 0.463 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.612 -9.614 -1.654 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.866 -10.920 -0.096 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.448 -8.012 -3.109 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.702 -9.322 -1.555 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.992 -7.863 -3.062 1.00 0.45 H new ATOM 2700 N VAL A 175 12.283 -10.607 2.816 1.00 0.37 N ATOM 2701 CA VAL A 175 11.234 -9.974 3.616 1.00 0.37 C ATOM 2702 C VAL A 175 11.817 -9.037 4.671 1.00 0.35 C ATOM 2703 O VAL A 175 11.424 -7.872 4.772 1.00 0.36 O ATOM 2704 CB VAL A 175 10.350 -11.030 4.316 1.00 0.41 C ATOM 2705 CG1 VAL A 175 9.252 -10.363 5.134 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.747 -11.982 3.297 1.00 0.45 C ATOM 0 H VAL A 175 12.266 -11.627 2.837 1.00 0.37 H new ATOM 0 HA VAL A 175 10.624 -9.392 2.924 1.00 0.37 H new ATOM 0 HB VAL A 175 10.982 -11.603 4.995 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.643 -11.127 5.617 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.702 -9.723 5.894 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.624 -9.760 4.478 1.00 0.48 H new ATOM 0 HG21 VAL A 175 9.128 -12.718 3.809 1.00 0.45 H new ATOM 0 HG22 VAL A 175 9.134 -11.420 2.592 1.00 0.45 H new ATOM 0 HG23 VAL A 175 10.546 -12.491 2.758 1.00 0.45 H new ATOM 2716 N GLN A 176 12.767 -9.549 5.442 1.00 0.37 N ATOM 2717 CA GLN A 176 13.388 -8.767 6.499 1.00 0.39 C ATOM 2718 C GLN A 176 14.232 -7.617 5.945 1.00 0.38 C ATOM 2719 O GLN A 176 14.172 -6.500 6.460 1.00 0.40 O ATOM 2720 CB GLN A 176 14.246 -9.672 7.394 1.00 0.44 C ATOM 2721 CG GLN A 176 13.748 -9.760 8.831 1.00 0.64 C ATOM 2722 CD GLN A 176 12.293 -10.186 8.927 1.00 0.81 C ATOM 2723 OE1 GLN A 176 11.797 -10.946 8.096 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.597 -9.699 9.942 1.00 1.11 N ATOM 0 H GLN A 176 13.123 -10.501 5.355 1.00 0.37 H new ATOM 0 HA GLN A 176 12.587 -8.326 7.092 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.271 -10.674 6.965 1.00 0.44 H new ATOM 0 HB3 GLN A 176 15.271 -9.300 7.396 1.00 0.44 H new ATOM 0 HG2 GLN A 176 14.366 -10.469 9.382 1.00 0.64 H new ATOM 0 HG3 GLN A 176 13.870 -8.790 9.313 1.00 0.64 H new ATOM 0 HE21 GLN A 176 12.042 -9.071 10.611 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.615 -9.951 10.055 1.00 1.11 H new ATOM 2733 N GLN A 177 14.991 -7.887 4.886 1.00 0.37 N ATOM 2734 CA GLN A 177 15.857 -6.879 4.273 1.00 0.39 C ATOM 2735 C GLN A 177 15.039 -5.712 3.734 1.00 0.37 C ATOM 2736 O GLN A 177 15.382 -4.549 3.955 1.00 0.39 O ATOM 2737 CB GLN A 177 16.686 -7.500 3.144 1.00 0.42 C ATOM 2738 CG GLN A 177 17.847 -6.629 2.685 1.00 0.56 C ATOM 2739 CD GLN A 177 18.687 -7.292 1.610 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.765 -8.517 1.529 1.00 1.02 O ATOM 2741 NE2 GLN A 177 19.325 -6.486 0.776 1.00 1.32 N ATOM 0 H GLN A 177 15.025 -8.800 4.431 1.00 0.37 H new ATOM 0 HA GLN A 177 16.531 -6.503 5.043 1.00 0.39 H new ATOM 0 HB2 GLN A 177 17.075 -8.462 3.478 1.00 0.42 H new ATOM 0 HB3 GLN A 177 16.034 -7.698 2.293 1.00 0.42 H new ATOM 0 HG2 GLN A 177 17.459 -5.684 2.306 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.480 -6.393 3.541 1.00 0.56 H new ATOM 0 HE21 GLN A 177 19.235 -5.475 0.875 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.906 -6.876 0.034 1.00 1.32 H new ATOM 2750 N TYR A 178 13.954 -6.030 3.037 1.00 0.36 N ATOM 2751 CA TYR A 178 13.077 -5.013 2.466 1.00 0.36 C ATOM 2752 C TYR A 178 12.549 -4.086 3.555 1.00 0.36 C ATOM 2753 O TYR A 178 12.672 -2.867 3.460 1.00 0.39 O ATOM 2754 CB TYR A 178 11.904 -5.672 1.724 1.00 0.37 C ATOM 2755 CG TYR A 178 11.075 -4.724 0.881 1.00 0.36 C ATOM 2756 CD1 TYR A 178 10.129 -3.891 1.463 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.226 -4.680 -0.495 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.357 -3.043 0.697 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.461 -3.830 -1.273 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.527 -3.013 -0.671 1.00 0.40 C ATOM 2761 OH TYR A 178 8.754 -2.168 -1.440 1.00 0.45 O ATOM 0 H TYR A 178 13.659 -6.989 2.853 1.00 0.36 H new ATOM 0 HA TYR A 178 13.657 -4.423 1.756 1.00 0.36 H new ATOM 0 HB2 TYR A 178 12.295 -6.460 1.081 1.00 0.37 H new ATOM 0 HB3 TYR A 178 11.252 -6.151 2.455 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.995 -3.907 2.535 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.954 -5.321 -0.969 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.623 -2.405 1.166 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.594 -3.806 -2.345 1.00 0.46 H new ATOM 0 HH TYR A 178 8.999 -2.268 -2.383 1.00 0.45 H new ATOM 2771 N ALA A 179 11.981 -4.677 4.598 1.00 0.35 N ATOM 2772 CA ALA A 179 11.421 -3.907 5.702 1.00 0.37 C ATOM 2773 C ALA A 179 12.494 -3.122 6.459 1.00 0.39 C ATOM 2774 O ALA A 179 12.253 -2.005 6.920 1.00 0.43 O ATOM 2775 CB ALA A 179 10.668 -4.830 6.646 1.00 0.39 C ATOM 0 H ALA A 179 11.896 -5.688 4.703 1.00 0.35 H new ATOM 0 HA ALA A 179 10.729 -3.177 5.281 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.252 -4.248 7.469 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.860 -5.323 6.105 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.351 -5.581 7.042 1.00 0.39 H new ATOM 2781 N ASP A 180 13.680 -3.706 6.590 1.00 0.39 N ATOM 2782 CA ASP A 180 14.776 -3.052 7.297 1.00 0.44 C ATOM 2783 C ASP A 180 15.272 -1.846 6.513 1.00 0.44 C ATOM 2784 O ASP A 180 15.685 -0.845 7.097 1.00 0.49 O ATOM 2785 CB ASP A 180 15.924 -4.031 7.533 1.00 0.48 C ATOM 2786 CG ASP A 180 16.627 -3.781 8.851 1.00 0.80 C ATOM 2787 OD1 ASP A 180 16.128 -4.254 9.895 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 17.685 -3.118 8.854 1.00 1.55 O ATOM 0 H ASP A 180 13.907 -4.628 6.217 1.00 0.39 H new ATOM 0 HA ASP A 180 14.403 -2.713 8.263 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.539 -5.051 7.516 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.643 -3.948 6.718 1.00 0.48 H new ATOM 2793 N THR A 181 15.209 -1.940 5.189 1.00 0.42 N ATOM 2794 CA THR A 181 15.637 -0.847 4.333 1.00 0.43 C ATOM 2795 C THR A 181 14.759 0.382 4.568 1.00 0.42 C ATOM 2796 O THR A 181 15.254 1.509 4.612 1.00 0.45 O ATOM 2797 CB THR A 181 15.582 -1.242 2.842 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.324 -2.450 2.618 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.150 -0.137 1.962 1.00 0.48 C ATOM 0 H THR A 181 14.866 -2.761 4.689 1.00 0.42 H new ATOM 0 HA THR A 181 16.671 -0.614 4.588 1.00 0.43 H new ATOM 0 HB THR A 181 14.536 -1.400 2.580 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.772 -3.223 2.861 1.00 0.47 H new ATOM 0 HG21 THR A 181 16.099 -0.442 0.917 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.570 0.775 2.103 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.189 0.048 2.236 1.00 0.48 H new ATOM 2807 N VAL A 182 13.455 0.149 4.736 1.00 0.40 N ATOM 2808 CA VAL A 182 12.503 1.229 4.985 1.00 0.40 C ATOM 2809 C VAL A 182 12.865 1.964 6.266 1.00 0.44 C ATOM 2810 O VAL A 182 13.025 3.185 6.279 1.00 0.48 O ATOM 2811 CB VAL A 182 11.059 0.698 5.123 1.00 0.40 C ATOM 2812 CG1 VAL A 182 10.063 1.846 5.190 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.716 -0.241 3.980 1.00 0.39 C ATOM 0 H VAL A 182 13.036 -0.780 4.704 1.00 0.40 H new ATOM 0 HA VAL A 182 12.554 1.903 4.130 1.00 0.40 H new ATOM 0 HB VAL A 182 10.996 0.137 6.055 1.00 0.40 H new ATOM 0 HG11 VAL A 182 9.053 1.447 5.287 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.289 2.474 6.052 1.00 0.43 H new ATOM 0 HG13 VAL A 182 10.132 2.441 4.279 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.694 -0.602 4.099 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.805 0.291 3.033 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.403 -1.088 3.986 1.00 0.39 H new ATOM 2823 N LYS A 183 13.013 1.189 7.334 1.00 0.44 N ATOM 2824 CA LYS A 183 13.357 1.717 8.648 1.00 0.50 C ATOM 2825 C LYS A 183 14.668 2.498 8.598 1.00 0.53 C ATOM 2826 O LYS A 183 14.806 3.550 9.233 1.00 0.60 O ATOM 2827 CB LYS A 183 13.475 0.564 9.646 1.00 0.53 C ATOM 2828 CG LYS A 183 13.697 1.010 11.078 1.00 0.60 C ATOM 2829 CD LYS A 183 14.214 -0.131 11.933 1.00 0.75 C ATOM 2830 CE LYS A 183 14.531 0.332 13.342 1.00 0.93 C ATOM 2831 NZ LYS A 183 14.965 -0.793 14.210 1.00 1.59 N1+ ATOM 0 H LYS A 183 12.898 0.176 7.313 1.00 0.44 H new ATOM 0 HA LYS A 183 12.568 2.399 8.966 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.567 -0.038 9.600 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.300 -0.081 9.345 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.409 1.835 11.099 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.762 1.385 11.494 1.00 0.60 H new ATOM 0 HD2 LYS A 183 13.470 -0.927 11.969 1.00 0.75 H new ATOM 0 HD3 LYS A 183 15.110 -0.552 11.477 1.00 0.75 H new ATOM 0 HE2 LYS A 183 15.316 1.088 13.308 1.00 0.93 H new ATOM 0 HE3 LYS A 183 13.650 0.806 13.775 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 15.172 -0.435 15.164 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 14.207 -1.503 14.263 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 15.820 -1.230 13.811 1.00 1.59 H new ATOM 2845 N TYR A 184 15.622 1.979 7.839 1.00 0.52 N ATOM 2846 CA TYR A 184 16.920 2.618 7.692 1.00 0.57 C ATOM 2847 C TYR A 184 16.783 3.970 7.004 1.00 0.58 C ATOM 2848 O TYR A 184 17.351 4.965 7.453 1.00 0.65 O ATOM 2849 CB TYR A 184 17.862 1.713 6.891 1.00 0.60 C ATOM 2850 CG TYR A 184 19.121 2.404 6.400 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.222 2.558 7.230 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.203 2.902 5.103 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.370 3.183 6.783 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.348 3.528 4.651 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.427 3.667 5.497 1.00 0.99 C ATOM 2856 OH TYR A 184 22.568 4.292 5.057 1.00 1.17 O ATOM 0 H TYR A 184 15.520 1.111 7.313 1.00 0.52 H new ATOM 0 HA TYR A 184 17.338 2.780 8.685 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.146 0.863 7.512 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.322 1.314 6.032 1.00 0.60 H new ATOM 0 HD1 TYR A 184 20.181 2.183 8.242 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.358 2.797 4.439 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.220 3.291 7.441 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.398 3.906 3.641 1.00 0.88 H new ATOM 0 HH TYR A 184 22.448 4.575 4.126 1.00 1.17 H new ATOM 2866 N LEU A 185 16.016 3.999 5.923 1.00 0.54 N ATOM 2867 CA LEU A 185 15.815 5.218 5.154 1.00 0.57 C ATOM 2868 C LEU A 185 15.044 6.273 5.943 1.00 0.59 C ATOM 2869 O LEU A 185 15.373 7.457 5.877 1.00 0.68 O ATOM 2870 CB LEU A 185 15.094 4.898 3.844 1.00 0.54 C ATOM 2871 CG LEU A 185 15.921 4.110 2.827 1.00 0.54 C ATOM 2872 CD1 LEU A 185 15.042 3.623 1.684 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.063 4.963 2.297 1.00 0.61 C ATOM 0 H LEU A 185 15.520 3.186 5.557 1.00 0.54 H new ATOM 0 HA LEU A 185 16.798 5.635 4.933 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.191 4.332 4.073 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.776 5.833 3.384 1.00 0.54 H new ATOM 0 HG LEU A 185 16.344 3.239 3.328 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.649 3.065 0.971 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.258 2.976 2.078 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.589 4.479 1.183 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.642 4.388 1.574 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.659 5.852 1.813 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.708 5.262 3.123 1.00 0.61 H new ATOM 2885 N SER A 186 14.034 5.850 6.698 1.00 0.55 N ATOM 2886 CA SER A 186 13.233 6.786 7.486 1.00 0.60 C ATOM 2887 C SER A 186 14.063 7.426 8.599 1.00 0.65 C ATOM 2888 O SER A 186 13.751 8.515 9.076 1.00 0.73 O ATOM 2889 CB SER A 186 12.004 6.079 8.073 1.00 0.59 C ATOM 2890 OG SER A 186 12.342 4.809 8.608 1.00 1.07 O ATOM 0 H SER A 186 13.751 4.874 6.782 1.00 0.55 H new ATOM 0 HA SER A 186 12.896 7.580 6.820 1.00 0.60 H new ATOM 0 HB2 SER A 186 11.565 6.699 8.854 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.247 5.959 7.298 1.00 0.59 H new ATOM 0 HG SER A 186 13.303 4.780 8.800 1.00 1.07 H new ATOM 2896 N GLU A 187 15.126 6.746 9.000 1.00 0.66 N ATOM 2897 CA GLU A 187 16.006 7.245 10.045 1.00 0.76 C ATOM 2898 C GLU A 187 17.276 7.827 9.435 1.00 0.82 C ATOM 2899 O GLU A 187 18.197 8.228 10.143 1.00 0.98 O ATOM 2900 CB GLU A 187 16.348 6.119 11.022 1.00 0.80 C ATOM 2901 CG GLU A 187 15.265 5.867 12.058 1.00 1.10 C ATOM 2902 CD GLU A 187 15.084 7.039 12.998 1.00 1.56 C ATOM 2903 OE1 GLU A 187 16.034 7.355 13.745 1.00 2.01 O ATOM 2904 OE2 GLU A 187 13.994 7.646 12.994 1.00 2.26 O1- ATOM 0 H GLU A 187 15.401 5.842 8.615 1.00 0.66 H new ATOM 0 HA GLU A 187 15.493 8.037 10.590 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.523 5.202 10.460 1.00 0.80 H new ATOM 0 HB3 GLU A 187 17.279 6.362 11.533 1.00 0.80 H new ATOM 0 HG2 GLU A 187 14.322 5.662 11.552 1.00 1.10 H new ATOM 0 HG3 GLU A 187 15.517 4.977 12.635 1.00 1.10 H new ATOM 2911 N LYS A 188 17.311 7.873 8.111 1.00 0.79 N ATOM 2912 CA LYS A 188 18.457 8.394 7.384 1.00 0.86 C ATOM 2913 C LYS A 188 18.234 9.860 7.023 1.00 0.99 C ATOM 2914 O LYS A 188 18.053 10.202 5.853 1.00 1.46 O ATOM 2915 CB LYS A 188 18.699 7.560 6.117 1.00 0.82 C ATOM 2916 CG LYS A 188 19.985 7.911 5.384 1.00 0.95 C ATOM 2917 CD LYS A 188 19.983 7.368 3.967 1.00 1.00 C ATOM 2918 CE LYS A 188 21.093 7.977 3.131 1.00 1.25 C ATOM 2919 NZ LYS A 188 20.909 9.441 2.945 1.00 1.72 N1+ ATOM 0 H LYS A 188 16.549 7.552 7.514 1.00 0.79 H new ATOM 0 HA LYS A 188 19.339 8.327 8.021 1.00 0.86 H new ATOM 0 HB2 LYS A 188 18.723 6.504 6.388 1.00 0.82 H new ATOM 0 HB3 LYS A 188 17.857 7.696 5.438 1.00 0.82 H new ATOM 0 HG2 LYS A 188 20.107 8.994 5.360 1.00 0.95 H new ATOM 0 HG3 LYS A 188 20.838 7.506 5.929 1.00 0.95 H new ATOM 0 HD2 LYS A 188 20.099 6.285 3.992 1.00 1.00 H new ATOM 0 HD3 LYS A 188 19.020 7.574 3.500 1.00 1.00 H new ATOM 0 HE2 LYS A 188 22.053 7.790 3.612 1.00 1.25 H new ATOM 0 HE3 LYS A 188 21.123 7.488 2.157 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 21.562 9.782 2.211 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 19.929 9.634 2.654 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 21.107 9.932 3.840 1.00 1.72 H new ATOM 2933 N LYS A 189 18.234 10.710 8.047 1.00 1.41 N ATOM 2934 CA LYS A 189 18.035 12.147 7.878 1.00 1.63 C ATOM 2935 C LYS A 189 16.665 12.425 7.253 1.00 2.24 C ATOM 2936 O LYS A 189 16.573 12.507 6.008 1.00 2.81 O ATOM 2937 CB LYS A 189 19.169 12.751 7.036 1.00 2.37 C ATOM 2938 CG LYS A 189 19.261 14.269 7.109 1.00 2.87 C ATOM 2939 CD LYS A 189 18.435 14.944 6.021 1.00 3.48 C ATOM 2940 CE LYS A 189 18.923 14.578 4.621 1.00 3.91 C ATOM 2941 NZ LYS A 189 18.262 13.350 4.092 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 15.683 12.541 8.015 1.00 2.89 O1- ATOM 0 H LYS A 189 18.372 10.423 9.016 1.00 1.41 H new ATOM 0 HA LYS A 189 18.059 12.624 8.858 1.00 1.63 H new ATOM 0 HB2 LYS A 189 20.117 12.325 7.365 1.00 2.37 H new ATOM 0 HB3 LYS A 189 19.030 12.456 5.996 1.00 2.37 H new ATOM 0 HG2 LYS A 189 18.917 14.606 8.087 1.00 2.87 H new ATOM 0 HG3 LYS A 189 20.303 14.574 7.015 1.00 2.87 H new ATOM 0 HD2 LYS A 189 17.390 14.654 6.128 1.00 3.48 H new ATOM 0 HD3 LYS A 189 18.481 16.025 6.150 1.00 3.48 H new ATOM 0 HE2 LYS A 189 18.733 15.410 3.944 1.00 3.91 H new ATOM 0 HE3 LYS A 189 20.002 14.426 4.643 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 18.967 12.593 3.990 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 17.519 13.044 4.752 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 17.838 13.556 3.165 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 7.381 -11.128 -9.222 1.00 2.80 O HETATM 2958 C13 SFQ A 201 7.611 -11.458 -8.040 1.00 2.19 C HETATM 2959 O4 SFQ A 201 6.901 -12.335 -7.500 1.00 2.04 O HETATM 2960 C8 SFQ A 201 8.652 -10.857 -7.340 1.00 1.95 C HETATM 2961 C9 SFQ A 201 9.449 -9.913 -7.979 1.00 2.61 C HETATM 2962 C10 SFQ A 201 10.510 -9.326 -7.301 1.00 2.73 C HETATM 2963 C11 SFQ A 201 10.784 -9.684 -5.986 1.00 2.07 C HETATM 2964 C12 SFQ A 201 9.992 -10.624 -5.343 1.00 1.25 C HETATM 2965 C7 SFQ A 201 8.927 -11.206 -6.023 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.115 -12.093 -5.454 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.429 -12.512 -3.907 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.226 -13.271 -3.341 1.00 1.89 O HETATM 2969 O2 SFQ A 201 8.662 -11.261 -3.059 1.00 2.07 O HETATM 2970 C4 SFQ A 201 9.841 -13.546 -3.853 1.00 1.37 C HETATM 2971 C2 SFQ A 201 11.015 -13.111 -3.249 1.00 2.11 C HETATM 2972 C1 SFQ A 201 12.130 -13.939 -3.217 1.00 2.79 C HETATM 2973 C3 SFQ A 201 12.074 -15.202 -3.791 1.00 2.87 C HETATM 2974 I1 SFQ A 201 13.753 -16.451 -3.751 1.00 4.24 I HETATM 2975 C6 SFQ A 201 10.899 -15.640 -4.396 1.00 2.39 C HETATM 2976 C5 SFQ A 201 9.784 -14.810 -4.428 1.00 1.65 C