USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1020 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Set 2.1: A 83 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 138 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 TYR OH : rot 180:sc= -0.671 USER MOD Set 3.2: A 61 HIS : no HE2:sc= -4.14! C(o=-4.8!,f=-18!) USER MOD Set 4.1: A 39 ASN : amide:sc= -0.844 K(o=-1.1,f=-3.6!) USER MOD Set 4.2: A 48 GLN : amide:sc= -0.246 K(o=-1.1,f=-7.5!) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 16 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-14!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.58) USER MOD Single : A 10 GLN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 15 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4!) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.507 F(o=-2.1,f=-0.51) USER MOD Single : A 23 TYR OH : rot 15:sc= -0.0967 USER MOD Single : A 25 ASN : amide:sc= -1.84! C(o=-1.8!,f=-3!) USER MOD Single : A 32 HIS : no HD1:sc= 0.383 K(o=0.38,f=-2!) USER MOD Single : A 38 CYS SG : rot -12:sc= -1.94! USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 43 CYS SG : rot -48:sc= 0.223! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 46 THR OG1 : rot 53:sc= 0.949 USER MOD Single : A 49 SER OG : rot -130:sc= 0.217 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.695 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0228 (180deg=-0.382) USER MOD Single : A 85 ASN : amide:sc= -12.1! C(o=-12!,f=-28!) USER MOD Single : A 88 GLN : amide:sc= -3.12 K(o=-3.1,f=-11!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 101 TYR OH : rot -140:sc= -2.29 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 14:sc= 0.208! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -44:sc= 0.187 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 64:sc= -2.11 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -177:sc= -8.61! (180deg=-8.95!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 130:sc= -0.28 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -162:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 4 -9.817 53.778 10.560 1.00 0.00 N ATOM 50 CA VAL A 4 -8.780 54.725 10.176 1.00 0.00 C ATOM 51 C VAL A 4 -7.921 54.159 9.054 1.00 0.00 C ATOM 52 O VAL A 4 -7.328 54.904 8.273 1.00 0.00 O ATOM 53 CB VAL A 4 -7.888 55.031 11.386 1.00 0.00 C ATOM 54 CG1 VAL A 4 -8.760 55.350 12.603 1.00 0.00 C ATOM 55 CG2 VAL A 4 -7.000 53.815 11.698 1.00 0.00 C ATOM 0 HA VAL A 4 -9.261 55.638 9.826 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.258 55.890 11.156 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.123 55.567 13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.384 56.217 12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.395 54.494 12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.368 54.037 12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.629 52.953 11.922 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.373 53.592 10.835 1.00 0.00 H new ATOM 65 N TYR A 5 -7.845 52.832 8.986 1.00 0.00 N ATOM 66 CA TYR A 5 -7.034 52.174 7.970 1.00 0.00 C ATOM 67 C TYR A 5 -7.549 52.497 6.576 1.00 0.00 C ATOM 68 O TYR A 5 -6.768 52.746 5.658 1.00 0.00 O ATOM 69 CB TYR A 5 -7.057 50.659 8.192 1.00 0.00 C ATOM 70 CG TYR A 5 -6.457 50.332 9.542 1.00 0.00 C ATOM 71 CD1 TYR A 5 -7.229 50.459 10.700 1.00 0.00 C ATOM 72 CD2 TYR A 5 -5.133 49.899 9.632 1.00 0.00 C ATOM 73 CE1 TYR A 5 -6.672 50.159 11.948 1.00 0.00 C ATOM 74 CE2 TYR A 5 -4.573 49.596 10.879 1.00 0.00 C ATOM 75 CZ TYR A 5 -5.343 49.728 12.037 1.00 0.00 C ATOM 76 OH TYR A 5 -4.799 49.428 13.269 1.00 0.00 O ATOM 0 H TYR A 5 -8.332 52.197 9.618 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.011 52.540 8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.081 50.290 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.496 50.158 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.255 50.789 10.632 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.538 49.797 8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.268 50.260 12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.548 49.261 10.945 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.868 49.143 13.155 1.00 0.00 H new ATOM 86 N LYS A 6 -8.864 52.494 6.426 1.00 0.00 N ATOM 87 CA LYS A 6 -9.474 52.791 5.139 1.00 0.00 C ATOM 88 C LYS A 6 -9.077 54.185 4.670 1.00 0.00 C ATOM 89 O LYS A 6 -8.862 54.414 3.481 1.00 0.00 O ATOM 90 CB LYS A 6 -10.995 52.705 5.245 1.00 0.00 C ATOM 91 CG LYS A 6 -11.415 51.240 5.400 1.00 0.00 C ATOM 92 CD LYS A 6 -12.941 51.153 5.547 1.00 0.00 C ATOM 93 CE LYS A 6 -13.604 51.256 4.170 1.00 0.00 C ATOM 94 NZ LYS A 6 -15.052 50.945 4.292 1.00 0.00 N1+ ATOM 0 H LYS A 6 -9.526 52.291 7.174 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.120 52.057 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.344 53.287 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.457 53.135 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.090 50.665 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.930 50.803 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.216 50.212 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.299 51.954 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.470 52.259 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.130 50.564 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.502 51.015 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.170 49.980 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.499 51.622 4.943 1.00 0.00 H new ATOM 108 N GLY A 7 -8.984 55.116 5.611 1.00 0.00 N ATOM 109 CA GLY A 7 -8.610 56.486 5.285 1.00 0.00 C ATOM 110 C GLY A 7 -7.170 56.559 4.789 1.00 0.00 C ATOM 111 O GLY A 7 -6.830 57.424 3.980 1.00 0.00 O ATOM 0 H GLY A 7 -9.161 54.949 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.281 56.877 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.727 57.118 6.166 1.00 0.00 H new ATOM 115 N GLN A 8 -6.326 55.650 5.275 1.00 0.00 N ATOM 116 CA GLN A 8 -4.929 55.628 4.870 1.00 0.00 C ATOM 117 C GLN A 8 -4.771 54.997 3.493 1.00 0.00 C ATOM 118 O GLN A 8 -4.172 55.586 2.594 1.00 0.00 O ATOM 119 CB GLN A 8 -4.099 54.848 5.892 1.00 0.00 C ATOM 120 CG GLN A 8 -2.612 55.120 5.656 1.00 0.00 C ATOM 121 CD GLN A 8 -1.902 55.326 6.990 1.00 0.00 C ATOM 122 OE1 GLN A 8 -2.409 56.034 7.860 1.00 0.00 O ATOM 123 NE2 GLN A 8 -0.753 54.745 7.204 1.00 0.00 N ATOM 0 H GLN A 8 -6.586 54.926 5.945 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.573 56.657 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.377 55.143 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.303 53.781 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.162 54.285 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.490 56.004 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.335 54.159 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.273 54.877 8.094 1.00 0.00 H new ATOM 132 N LEU A 9 -5.318 53.800 3.339 1.00 0.00 N ATOM 133 CA LEU A 9 -5.237 53.096 2.066 1.00 0.00 C ATOM 134 C LEU A 9 -5.959 53.884 0.990 1.00 0.00 C ATOM 135 O LEU A 9 -5.473 54.010 -0.134 1.00 0.00 O ATOM 136 CB LEU A 9 -5.843 51.694 2.201 1.00 0.00 C ATOM 137 CG LEU A 9 -5.587 50.896 0.918 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.082 50.591 0.776 1.00 0.00 C ATOM 139 CD2 LEU A 9 -6.375 49.585 0.969 1.00 0.00 C ATOM 0 H LEU A 9 -5.819 53.299 4.073 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.190 52.996 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.404 51.178 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.914 51.767 2.388 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.911 51.484 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.910 50.024 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.524 51.526 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.747 50.007 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.194 49.016 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.054 49.001 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.439 49.803 1.055 1.00 0.00 H new ATOM 151 N GLN A 10 -7.125 54.398 1.340 1.00 0.00 N ATOM 152 CA GLN A 10 -7.914 55.159 0.391 1.00 0.00 C ATOM 153 C GLN A 10 -7.144 56.390 -0.074 1.00 0.00 C ATOM 154 O GLN A 10 -7.249 56.806 -1.228 1.00 0.00 O ATOM 155 CB GLN A 10 -9.242 55.587 1.021 1.00 0.00 C ATOM 156 CG GLN A 10 -10.086 56.351 -0.003 1.00 0.00 C ATOM 157 CD GLN A 10 -11.473 56.628 0.568 1.00 0.00 C ATOM 158 OE1 GLN A 10 -11.876 57.784 0.693 1.00 0.00 O ATOM 159 NE2 GLN A 10 -12.231 55.629 0.929 1.00 0.00 N ATOM 0 H GLN A 10 -7.542 54.303 2.266 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.120 54.523 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.787 54.710 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.055 56.216 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.596 57.290 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.171 55.771 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.896 54.671 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.158 55.806 1.315 1.00 0.00 H new ATOM 168 N ALA A 11 -6.372 56.969 0.837 1.00 0.00 N ATOM 169 CA ALA A 11 -5.582 58.151 0.516 1.00 0.00 C ATOM 170 C ALA A 11 -4.527 57.815 -0.536 1.00 0.00 C ATOM 171 O ALA A 11 -4.283 58.595 -1.456 1.00 0.00 O ATOM 172 CB ALA A 11 -4.897 58.678 1.777 1.00 0.00 C ATOM 0 H ALA A 11 -6.276 56.642 1.798 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.248 58.917 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.308 59.561 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.652 58.941 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.242 57.908 2.184 1.00 0.00 H new ATOM 178 N TYR A 12 -3.907 56.646 -0.396 1.00 0.00 N ATOM 179 CA TYR A 12 -2.887 56.212 -1.345 1.00 0.00 C ATOM 180 C TYR A 12 -3.482 56.072 -2.742 1.00 0.00 C ATOM 181 O TYR A 12 -2.901 56.533 -3.722 1.00 0.00 O ATOM 182 CB TYR A 12 -2.292 54.876 -0.899 1.00 0.00 C ATOM 183 CG TYR A 12 -1.302 54.396 -1.935 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.045 55.003 -2.036 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.642 53.343 -2.794 1.00 0.00 C ATOM 186 CE1 TYR A 12 0.871 54.559 -2.997 1.00 0.00 C ATOM 187 CE2 TYR A 12 -0.727 52.899 -3.755 1.00 0.00 C ATOM 188 CZ TYR A 12 0.530 53.505 -3.856 1.00 0.00 C ATOM 189 OH TYR A 12 1.435 53.068 -4.803 1.00 0.00 O ATOM 0 H TYR A 12 -4.092 55.987 0.360 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.099 56.964 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.799 54.989 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.084 54.139 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.218 55.814 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.611 52.873 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.840 55.028 -3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.991 52.089 -4.419 1.00 0.00 H new ATOM 0 HH TYR A 12 1.042 52.331 -5.315 1.00 0.00 H new ATOM 199 N ALA A 13 -4.641 55.429 -2.824 1.00 0.00 N ATOM 200 CA ALA A 13 -5.303 55.234 -4.107 1.00 0.00 C ATOM 201 C ALA A 13 -5.573 56.582 -4.774 1.00 0.00 C ATOM 202 O ALA A 13 -5.462 56.717 -5.993 1.00 0.00 O ATOM 203 CB ALA A 13 -6.633 54.483 -3.897 1.00 0.00 C ATOM 0 H ALA A 13 -5.138 55.037 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.652 54.645 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.125 54.339 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.435 53.513 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.280 55.066 -3.242 1.00 0.00 H new ATOM 209 N LEU A 14 -5.942 57.569 -3.966 1.00 0.00 N ATOM 210 CA LEU A 14 -6.240 58.889 -4.494 1.00 0.00 C ATOM 211 C LEU A 14 -5.003 59.487 -5.159 1.00 0.00 C ATOM 212 O LEU A 14 -5.084 60.050 -6.252 1.00 0.00 O ATOM 213 CB LEU A 14 -6.706 59.813 -3.362 1.00 0.00 C ATOM 214 CG LEU A 14 -7.083 61.189 -3.932 1.00 0.00 C ATOM 215 CD1 LEU A 14 -8.359 61.070 -4.782 1.00 0.00 C ATOM 216 CD2 LEU A 14 -7.320 62.168 -2.783 1.00 0.00 C ATOM 0 H LEU A 14 -6.040 57.480 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.033 58.794 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.563 59.374 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.915 59.921 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.270 61.554 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.621 62.049 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.185 60.375 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.176 60.701 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.588 63.145 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.131 61.801 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.411 62.258 -2.188 1.00 0.00 H new ATOM 228 N GLN A 15 -3.867 59.371 -4.488 1.00 0.00 N ATOM 229 CA GLN A 15 -2.626 59.910 -5.020 1.00 0.00 C ATOM 230 C GLN A 15 -2.141 59.082 -6.206 1.00 0.00 C ATOM 231 O GLN A 15 -1.673 59.624 -7.207 1.00 0.00 O ATOM 232 CB GLN A 15 -1.549 59.923 -3.929 1.00 0.00 C ATOM 233 CG GLN A 15 -0.226 60.443 -4.511 1.00 0.00 C ATOM 234 CD GLN A 15 0.517 59.315 -5.222 1.00 0.00 C ATOM 235 OE1 GLN A 15 0.969 58.367 -4.577 1.00 0.00 O ATOM 236 NE2 GLN A 15 0.657 59.353 -6.518 1.00 0.00 N ATOM 0 H GLN A 15 -3.779 58.912 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.814 60.929 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.866 60.556 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.411 58.918 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.422 61.256 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.395 60.851 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.282 60.139 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.142 58.597 -7.001 1.00 0.00 H new ATOM 245 N HIS A 16 -2.248 57.763 -6.080 1.00 0.00 N ATOM 246 CA HIS A 16 -1.810 56.864 -7.140 1.00 0.00 C ATOM 247 C HIS A 16 -2.873 56.757 -8.227 1.00 0.00 C ATOM 248 O HIS A 16 -2.656 56.122 -9.257 1.00 0.00 O ATOM 249 CB HIS A 16 -1.523 55.476 -6.564 1.00 0.00 C ATOM 250 CG HIS A 16 -0.773 54.657 -7.580 1.00 0.00 C ATOM 251 ND1 HIS A 16 -1.390 54.124 -8.699 1.00 0.00 N ATOM 252 CD2 HIS A 16 0.543 54.273 -7.658 1.00 0.00 C ATOM 253 CE1 HIS A 16 -0.455 53.452 -9.399 1.00 0.00 C ATOM 254 NE2 HIS A 16 0.741 53.512 -8.807 1.00 0.00 N ATOM 0 H HIS A 16 -2.632 57.296 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.899 57.269 -7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.938 55.564 -5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.457 54.980 -6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.308 54.523 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.649 52.930 -10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.613 53.091 -9.128 1.00 0.00 H new ATOM 262 N ASN A 17 -4.021 57.385 -7.987 1.00 0.00 N ATOM 263 CA ASN A 17 -5.109 57.358 -8.956 1.00 0.00 C ATOM 264 C ASN A 17 -5.499 55.925 -9.288 1.00 0.00 C ATOM 265 O ASN A 17 -5.330 55.475 -10.420 1.00 0.00 O ATOM 266 CB ASN A 17 -4.690 58.081 -10.237 1.00 0.00 C ATOM 267 CG ASN A 17 -4.381 59.542 -9.932 1.00 0.00 C ATOM 268 OD1 ASN A 17 -4.804 60.069 -8.816 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 -3.736 60.220 -10.730 1.00 0.00 N flip ATOM 0 H ASN A 17 -4.220 57.914 -7.138 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.968 57.864 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.813 57.597 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.486 58.016 -10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.406 59.806 -11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.531 61.197 -10.520 1.00 0.00 H new ATOM 276 N LEU A 18 -6.020 55.209 -8.293 1.00 0.00 N ATOM 277 CA LEU A 18 -6.436 53.818 -8.482 1.00 0.00 C ATOM 278 C LEU A 18 -7.886 53.629 -8.059 1.00 0.00 C ATOM 279 O LEU A 18 -8.382 54.331 -7.180 1.00 0.00 O ATOM 280 CB LEU A 18 -5.537 52.891 -7.662 1.00 0.00 C ATOM 281 CG LEU A 18 -4.083 53.039 -8.131 1.00 0.00 C ATOM 282 CD1 LEU A 18 -3.169 52.212 -7.220 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.948 52.546 -9.583 1.00 0.00 C ATOM 0 H LEU A 18 -6.164 55.567 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.345 53.571 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.615 53.135 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.863 51.857 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.794 54.089 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.136 52.315 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.259 52.569 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.462 51.163 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.914 52.654 -9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.239 51.497 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.596 53.137 -10.230 1.00 0.00 H new ATOM 295 N GLU A 19 -8.563 52.677 -8.696 1.00 0.00 N ATOM 296 CA GLU A 19 -9.957 52.403 -8.381 1.00 0.00 C ATOM 297 C GLU A 19 -10.149 52.306 -6.875 1.00 0.00 C ATOM 298 O GLU A 19 -9.381 51.642 -6.179 1.00 0.00 O ATOM 299 CB GLU A 19 -10.389 51.088 -9.038 1.00 0.00 C ATOM 300 CG GLU A 19 -10.347 51.239 -10.561 1.00 0.00 C ATOM 301 CD GLU A 19 -8.902 51.188 -11.050 1.00 0.00 C ATOM 302 OE1 GLU A 19 -8.275 52.233 -11.090 1.00 0.00 O ATOM 303 OE2 GLU A 19 -8.445 50.104 -11.376 1.00 0.00 O1- ATOM 0 H GLU A 19 -8.169 52.087 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.569 53.220 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.730 50.279 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.396 50.822 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.927 50.444 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.806 52.183 -10.854 1.00 0.00 H new ATOM 310 N LEU A 20 -11.176 52.980 -6.379 1.00 0.00 N ATOM 311 CA LEU A 20 -11.455 52.977 -4.950 1.00 0.00 C ATOM 312 C LEU A 20 -11.383 51.557 -4.389 1.00 0.00 C ATOM 313 O LEU A 20 -11.703 50.590 -5.080 1.00 0.00 O ATOM 314 CB LEU A 20 -12.847 53.564 -4.679 1.00 0.00 C ATOM 315 CG LEU A 20 -12.787 55.091 -4.764 1.00 0.00 C ATOM 316 CD1 LEU A 20 -12.377 55.508 -6.179 1.00 0.00 C ATOM 317 CD2 LEU A 20 -14.163 55.673 -4.434 1.00 0.00 C ATOM 0 H LEU A 20 -11.826 53.532 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.702 53.591 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.563 53.177 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.196 53.258 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.054 55.468 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.334 56.595 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.396 55.093 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.108 55.133 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.122 56.761 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.897 55.298 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.451 55.376 -3.426 1.00 0.00 H new ATOM 329 N PRO A 21 -10.977 51.418 -3.153 1.00 0.00 N ATOM 330 CA PRO A 21 -10.868 50.090 -2.485 1.00 0.00 C ATOM 331 C PRO A 21 -12.234 49.486 -2.189 1.00 0.00 C ATOM 332 O PRO A 21 -13.223 50.203 -2.038 1.00 0.00 O ATOM 333 CB PRO A 21 -10.106 50.397 -1.188 1.00 0.00 C ATOM 334 CG PRO A 21 -10.406 51.831 -0.890 1.00 0.00 C ATOM 335 CD PRO A 21 -10.582 52.513 -2.245 1.00 0.00 C ATOM 0 HA PRO A 21 -10.365 49.354 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.434 49.749 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.035 50.236 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.309 51.924 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.595 52.290 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.345 53.291 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.659 52.990 -2.574 1.00 0.00 H new ATOM 343 N VAL A 22 -12.276 48.161 -2.100 1.00 0.00 N ATOM 344 CA VAL A 22 -13.526 47.460 -1.805 1.00 0.00 C ATOM 345 C VAL A 22 -13.314 46.428 -0.701 1.00 0.00 C ATOM 346 O VAL A 22 -12.352 45.667 -0.733 1.00 0.00 O ATOM 347 CB VAL A 22 -14.045 46.768 -3.070 1.00 0.00 C ATOM 348 CG1 VAL A 22 -15.223 45.853 -2.716 1.00 0.00 C ATOM 349 CG2 VAL A 22 -14.506 47.824 -4.077 1.00 0.00 C ATOM 0 H VAL A 22 -11.467 47.552 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.261 48.189 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.244 46.171 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.588 45.364 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.895 45.098 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.025 46.446 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.875 47.332 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.304 48.422 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.668 48.471 -4.335 1.00 0.00 H new ATOM 359 N TYR A 23 -14.220 46.409 0.272 1.00 0.00 N ATOM 360 CA TYR A 23 -14.142 45.471 1.382 1.00 0.00 C ATOM 361 C TYR A 23 -15.273 44.454 1.316 1.00 0.00 C ATOM 362 O TYR A 23 -16.339 44.730 0.772 1.00 0.00 O ATOM 363 CB TYR A 23 -14.215 46.228 2.695 1.00 0.00 C ATOM 364 CG TYR A 23 -12.944 47.018 2.896 1.00 0.00 C ATOM 365 CD1 TYR A 23 -12.700 48.154 2.127 1.00 0.00 C ATOM 366 CD2 TYR A 23 -12.017 46.609 3.850 1.00 0.00 C ATOM 367 CE1 TYR A 23 -11.525 48.883 2.311 1.00 0.00 C ATOM 368 CE2 TYR A 23 -10.834 47.333 4.044 1.00 0.00 C ATOM 369 CZ TYR A 23 -10.587 48.476 3.273 1.00 0.00 C ATOM 370 OH TYR A 23 -9.424 49.198 3.456 1.00 0.00 O ATOM 0 H TYR A 23 -15.022 47.038 0.312 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.194 44.937 1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.075 46.898 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.356 45.531 3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.421 48.470 1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.211 45.728 4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.337 49.762 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.116 47.012 4.784 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.511 50.073 3.024 1.00 0.00 H new ATOM 380 N ALA A 24 -15.036 43.273 1.886 1.00 0.00 N ATOM 381 CA ALA A 24 -16.052 42.218 1.910 1.00 0.00 C ATOM 382 C ALA A 24 -16.275 41.778 3.347 1.00 0.00 C ATOM 383 O ALA A 24 -15.362 41.284 3.983 1.00 0.00 O ATOM 384 CB ALA A 24 -15.599 41.026 1.066 1.00 0.00 C ATOM 0 H ALA A 24 -14.155 43.022 2.335 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.983 42.603 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.364 40.250 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.444 41.347 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.666 40.630 1.467 1.00 0.00 H new ATOM 390 N ASN A 25 -17.485 41.982 3.851 1.00 0.00 N ATOM 391 CA ASN A 25 -17.801 41.636 5.238 1.00 0.00 C ATOM 392 C ASN A 25 -18.689 40.405 5.315 1.00 0.00 C ATOM 393 O ASN A 25 -19.610 40.239 4.519 1.00 0.00 O ATOM 394 CB ASN A 25 -18.529 42.819 5.899 1.00 0.00 C ATOM 395 CG ASN A 25 -19.677 43.294 5.009 1.00 0.00 C ATOM 396 OD1 ASN A 25 -20.221 42.513 4.228 1.00 0.00 O ATOM 397 ND2 ASN A 25 -20.081 44.535 5.081 1.00 0.00 N ATOM 0 H ASN A 25 -18.263 42.383 3.327 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.867 41.419 5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.914 42.520 6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.829 43.637 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.847 44.857 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.630 45.181 5.728 1.00 0.00 H new ATOM 404 N GLU A 26 -18.404 39.541 6.293 1.00 0.00 N ATOM 405 CA GLU A 26 -19.192 38.337 6.491 1.00 0.00 C ATOM 406 C GLU A 26 -19.381 38.082 7.985 1.00 0.00 C ATOM 407 O GLU A 26 -18.478 38.319 8.786 1.00 0.00 O ATOM 408 CB GLU A 26 -18.498 37.143 5.816 1.00 0.00 C ATOM 409 CG GLU A 26 -18.877 35.856 6.539 1.00 0.00 C ATOM 410 CD GLU A 26 -18.506 34.649 5.696 1.00 0.00 C ATOM 411 OE1 GLU A 26 -17.762 34.822 4.747 1.00 0.00 O ATOM 412 OE2 GLU A 26 -18.973 33.566 6.012 1.00 0.00 O1- ATOM 0 H GLU A 26 -17.636 39.658 6.954 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.174 38.467 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.792 37.083 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.417 37.279 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.366 35.807 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.947 35.849 6.746 1.00 0.00 H new ATOM 419 N ARG A 27 -20.554 37.563 8.347 1.00 0.00 N ATOM 420 CA ARG A 27 -20.847 37.260 9.743 1.00 0.00 C ATOM 421 C ARG A 27 -21.520 35.900 9.864 1.00 0.00 C ATOM 422 O ARG A 27 -22.569 35.658 9.263 1.00 0.00 O ATOM 423 CB ARG A 27 -21.766 38.336 10.315 1.00 0.00 C ATOM 424 CG ARG A 27 -21.943 38.109 11.819 1.00 0.00 C ATOM 425 CD ARG A 27 -22.946 39.118 12.374 1.00 0.00 C ATOM 426 NE ARG A 27 -24.287 38.812 11.892 1.00 0.00 N ATOM 427 CZ ARG A 27 -25.322 39.583 12.207 1.00 0.00 C ATOM 428 NH1 ARG A 27 -25.147 40.635 12.959 1.00 0.00 N ATOM 429 NH2 ARG A 27 -26.514 39.289 11.764 1.00 0.00 N1+ ATOM 0 H ARG A 27 -21.310 37.346 7.697 1.00 0.00 H new ATOM 0 HA ARG A 27 -19.911 37.239 10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -21.344 39.324 10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -22.734 38.306 9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.292 37.093 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -20.985 38.215 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -22.930 39.096 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -22.664 40.126 12.071 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.433 37.992 11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -24.216 40.865 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -25.942 41.227 13.201 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.651 38.467 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.308 39.881 12.006 1.00 0.00 H new ATOM 443 N GLU A 28 -20.914 35.014 10.654 1.00 0.00 N ATOM 444 CA GLU A 28 -21.478 33.687 10.849 1.00 0.00 C ATOM 445 C GLU A 28 -20.889 33.039 12.094 1.00 0.00 C ATOM 446 O GLU A 28 -19.678 33.055 12.304 1.00 0.00 O ATOM 447 CB GLU A 28 -21.190 32.802 9.632 1.00 0.00 C ATOM 448 CG GLU A 28 -21.873 31.441 9.807 1.00 0.00 C ATOM 449 CD GLU A 28 -21.642 30.578 8.573 1.00 0.00 C ATOM 450 OE1 GLU A 28 -20.642 29.882 8.539 1.00 0.00 O ATOM 451 OE2 GLU A 28 -22.469 30.626 7.678 1.00 0.00 O1- ATOM 0 H GLU A 28 -20.046 35.190 11.160 1.00 0.00 H new ATOM 0 HA GLU A 28 -22.556 33.789 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.551 33.286 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.115 32.667 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.480 30.939 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -22.942 31.580 9.969 1.00 0.00 H new ATOM 458 N GLY A 29 -21.751 32.466 12.924 1.00 0.00 N ATOM 459 CA GLY A 29 -21.292 31.804 14.133 1.00 0.00 C ATOM 460 C GLY A 29 -22.313 31.944 15.263 1.00 0.00 C ATOM 461 O GLY A 29 -23.018 32.951 15.347 1.00 0.00 O ATOM 0 H GLY A 29 -22.761 32.447 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.116 30.748 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.339 32.232 14.445 1.00 0.00 H new ATOM 465 N PRO A 30 -22.388 30.973 16.138 1.00 0.00 N ATOM 466 CA PRO A 30 -23.319 31.010 17.296 1.00 0.00 C ATOM 467 C PRO A 30 -23.302 32.369 18.006 1.00 0.00 C ATOM 468 O PRO A 30 -22.353 33.143 17.865 1.00 0.00 O ATOM 469 CB PRO A 30 -22.785 29.905 18.226 1.00 0.00 C ATOM 470 CG PRO A 30 -22.061 28.947 17.338 1.00 0.00 C ATOM 471 CD PRO A 30 -21.601 29.730 16.110 1.00 0.00 C ATOM 0 HA PRO A 30 -24.355 30.859 16.993 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -22.118 30.318 18.983 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -23.600 29.410 18.755 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.208 28.510 17.857 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -22.713 28.124 17.047 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.532 29.938 16.152 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -21.781 29.169 15.193 1.00 0.00 H new ATOM 479 N PRO A 31 -24.324 32.659 18.765 1.00 0.00 N ATOM 480 CA PRO A 31 -24.432 33.944 19.520 1.00 0.00 C ATOM 481 C PRO A 31 -23.233 34.169 20.440 1.00 0.00 C ATOM 482 O PRO A 31 -22.636 35.244 20.445 1.00 0.00 O ATOM 483 CB PRO A 31 -25.738 33.787 20.330 1.00 0.00 C ATOM 484 CG PRO A 31 -26.048 32.323 20.303 1.00 0.00 C ATOM 485 CD PRO A 31 -25.491 31.800 18.993 1.00 0.00 C ATOM 0 HA PRO A 31 -24.444 34.811 18.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -25.612 34.143 21.352 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -26.547 34.368 19.888 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -25.593 31.812 21.152 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -27.122 32.151 20.366 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -25.211 30.749 19.064 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -26.217 31.882 18.184 1.00 0.00 H new ATOM 493 N HIS A 32 -22.890 33.146 21.219 1.00 0.00 N ATOM 494 CA HIS A 32 -21.763 33.243 22.142 1.00 0.00 C ATOM 495 C HIS A 32 -20.464 32.897 21.423 1.00 0.00 C ATOM 496 O HIS A 32 -19.388 32.918 22.019 1.00 0.00 O ATOM 497 CB HIS A 32 -21.961 32.287 23.318 1.00 0.00 C ATOM 498 CG HIS A 32 -21.933 30.867 22.820 1.00 0.00 C ATOM 499 ND1 HIS A 32 -23.010 30.293 22.163 1.00 0.00 N ATOM 500 CD2 HIS A 32 -20.966 29.894 22.873 1.00 0.00 C ATOM 501 CE1 HIS A 32 -22.669 29.031 21.851 1.00 0.00 C ATOM 502 NE2 HIS A 32 -21.432 28.736 22.261 1.00 0.00 N ATOM 0 H HIS A 32 -23.372 32.247 21.230 1.00 0.00 H new ATOM 0 HA HIS A 32 -21.708 34.266 22.514 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -21.177 32.439 24.060 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -22.911 32.492 23.811 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -19.991 30.011 23.322 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -23.316 28.339 21.332 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -20.936 27.852 22.149 1.00 0.00 H new ATOM 510 N ALA A 33 -20.575 32.599 20.131 1.00 0.00 N ATOM 511 CA ALA A 33 -19.397 32.272 19.325 1.00 0.00 C ATOM 512 C ALA A 33 -19.497 32.901 17.939 1.00 0.00 C ATOM 513 O ALA A 33 -19.484 32.200 16.927 1.00 0.00 O ATOM 514 CB ALA A 33 -19.264 30.749 19.204 1.00 0.00 C ATOM 0 H ALA A 33 -21.458 32.577 19.622 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.513 32.675 19.818 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.387 30.507 18.604 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -19.156 30.313 20.197 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.155 30.343 18.725 1.00 0.00 H new ATOM 520 N PRO A 34 -19.571 34.203 17.875 1.00 0.00 N ATOM 521 CA PRO A 34 -19.648 34.937 16.585 1.00 0.00 C ATOM 522 C PRO A 34 -18.286 35.075 15.921 1.00 0.00 C ATOM 523 O PRO A 34 -17.270 35.229 16.598 1.00 0.00 O ATOM 524 CB PRO A 34 -20.211 36.307 16.986 1.00 0.00 C ATOM 525 CG PRO A 34 -19.772 36.514 18.406 1.00 0.00 C ATOM 526 CD PRO A 34 -19.593 35.118 19.029 1.00 0.00 C ATOM 0 HA PRO A 34 -20.263 34.418 15.850 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.829 37.095 16.337 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -21.298 36.325 16.903 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.839 37.076 18.443 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.513 37.091 18.959 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.669 35.055 19.604 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.410 34.879 19.710 1.00 0.00 H new ATOM 534 N ARG A 35 -18.272 35.036 14.589 1.00 0.00 N ATOM 535 CA ARG A 35 -17.025 35.178 13.845 1.00 0.00 C ATOM 536 C ARG A 35 -17.190 36.194 12.734 1.00 0.00 C ATOM 537 O ARG A 35 -18.125 36.104 11.937 1.00 0.00 O ATOM 538 CB ARG A 35 -16.609 33.830 13.259 1.00 0.00 C ATOM 539 CG ARG A 35 -16.247 32.872 14.395 1.00 0.00 C ATOM 540 CD ARG A 35 -15.897 31.503 13.816 1.00 0.00 C ATOM 541 NE ARG A 35 -15.550 30.574 14.884 1.00 0.00 N ATOM 542 CZ ARG A 35 -15.267 29.301 14.625 1.00 0.00 C ATOM 543 NH1 ARG A 35 -15.298 28.864 13.397 1.00 0.00 N ATOM 544 NH2 ARG A 35 -14.958 28.491 15.599 1.00 0.00 N1+ ATOM 0 H ARG A 35 -19.102 34.909 14.010 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.249 35.525 14.527 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.421 33.414 12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.757 33.959 12.592 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.403 33.265 14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -17.083 32.782 15.089 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.742 31.115 13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.062 31.597 13.122 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.524 30.907 15.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.539 29.499 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.081 27.888 13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.933 28.834 16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.741 27.514 15.401 1.00 0.00 H new ATOM 558 N PHE A 36 -16.269 37.159 12.668 1.00 0.00 N ATOM 559 CA PHE A 36 -16.336 38.175 11.622 1.00 0.00 C ATOM 560 C PHE A 36 -15.171 38.057 10.659 1.00 0.00 C ATOM 561 O PHE A 36 -14.058 38.446 10.967 1.00 0.00 O ATOM 562 CB PHE A 36 -16.291 39.564 12.262 1.00 0.00 C ATOM 563 CG PHE A 36 -17.456 39.722 13.200 1.00 0.00 C ATOM 564 CD1 PHE A 36 -18.685 40.140 12.706 1.00 0.00 C ATOM 565 CD2 PHE A 36 -17.304 39.442 14.559 1.00 0.00 C ATOM 566 CE1 PHE A 36 -19.777 40.293 13.571 1.00 0.00 C ATOM 567 CE2 PHE A 36 -18.383 39.585 15.424 1.00 0.00 C ATOM 568 CZ PHE A 36 -19.627 40.016 14.939 1.00 0.00 C ATOM 0 H PHE A 36 -15.485 37.256 13.313 1.00 0.00 H new ATOM 0 HA PHE A 36 -17.265 38.027 11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.354 39.697 12.803 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -16.325 40.333 11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -18.799 40.348 11.652 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -16.348 39.114 14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -20.731 40.623 13.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -18.263 39.363 16.474 1.00 0.00 H new ATOM 0 HZ PHE A 36 -20.463 40.134 15.613 1.00 0.00 H new ATOM 578 N ARG A 37 -15.437 37.505 9.484 1.00 0.00 N ATOM 579 CA ARG A 37 -14.388 37.336 8.473 1.00 0.00 C ATOM 580 C ARG A 37 -14.577 38.371 7.376 1.00 0.00 C ATOM 581 O ARG A 37 -15.489 38.263 6.554 1.00 0.00 O ATOM 582 CB ARG A 37 -14.457 35.929 7.857 1.00 0.00 C ATOM 583 CG ARG A 37 -14.112 34.886 8.920 1.00 0.00 C ATOM 584 CD ARG A 37 -14.297 33.482 8.341 1.00 0.00 C ATOM 585 NE ARG A 37 -13.343 33.250 7.263 1.00 0.00 N ATOM 586 CZ ARG A 37 -13.427 32.171 6.491 1.00 0.00 C ATOM 587 NH1 ARG A 37 -14.380 31.300 6.690 1.00 0.00 N ATOM 588 NH2 ARG A 37 -12.560 31.982 5.534 1.00 0.00 N1+ ATOM 0 H ARG A 37 -16.358 37.168 9.203 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.416 37.467 8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.455 35.743 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.763 35.853 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.083 35.020 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.751 35.017 9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.159 32.737 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.314 33.367 7.967 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.598 33.927 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.059 31.448 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.446 30.472 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.817 32.663 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.626 31.154 4.943 1.00 0.00 H new ATOM 602 N CYS A 38 -13.717 39.384 7.375 1.00 0.00 N ATOM 603 CA CYS A 38 -13.795 40.449 6.379 1.00 0.00 C ATOM 604 C CYS A 38 -12.536 40.479 5.533 1.00 0.00 C ATOM 605 O CYS A 38 -11.429 40.336 6.047 1.00 0.00 O ATOM 606 CB CYS A 38 -13.990 41.805 7.062 1.00 0.00 C ATOM 607 SG CYS A 38 -14.656 43.001 5.881 1.00 0.00 S ATOM 0 H CYS A 38 -12.960 39.491 8.050 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.650 40.250 5.733 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.668 41.701 7.909 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.039 42.163 7.457 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.568 42.517 4.677 1.00 0.00 H new ATOM 613 N ASN A 39 -12.715 40.664 4.233 1.00 0.00 N ATOM 614 CA ASN A 39 -11.576 40.714 3.304 1.00 0.00 C ATOM 615 C ASN A 39 -11.467 42.091 2.667 1.00 0.00 C ATOM 616 O ASN A 39 -12.433 42.852 2.650 1.00 0.00 O ATOM 617 CB ASN A 39 -11.735 39.658 2.215 1.00 0.00 C ATOM 618 CG ASN A 39 -11.603 38.265 2.821 1.00 0.00 C ATOM 619 OD1 ASN A 39 -11.124 38.120 3.945 1.00 0.00 O ATOM 620 ND2 ASN A 39 -12.003 37.228 2.138 1.00 0.00 N ATOM 0 H ASN A 39 -13.627 40.782 3.792 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.666 40.512 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.707 39.764 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.979 39.802 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.919 36.292 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.400 37.353 1.207 1.00 0.00 H new ATOM 627 N VAL A 40 -10.283 42.413 2.147 1.00 0.00 N ATOM 628 CA VAL A 40 -10.061 43.710 1.504 1.00 0.00 C ATOM 629 C VAL A 40 -9.513 43.505 0.098 1.00 0.00 C ATOM 630 O VAL A 40 -8.459 42.912 -0.083 1.00 0.00 O ATOM 631 CB VAL A 40 -9.070 44.536 2.326 1.00 0.00 C ATOM 632 CG1 VAL A 40 -7.778 43.737 2.539 1.00 0.00 C ATOM 633 CG2 VAL A 40 -8.756 45.836 1.586 1.00 0.00 C ATOM 0 H VAL A 40 -9.468 41.800 2.157 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.010 44.242 1.445 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.510 44.767 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.076 44.330 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.005 42.813 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.334 43.499 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.050 46.426 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.319 45.605 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.675 46.405 1.445 1.00 0.00 H new ATOM 643 N THR A 41 -10.237 44.016 -0.892 1.00 0.00 N ATOM 644 CA THR A 41 -9.818 43.887 -2.287 1.00 0.00 C ATOM 645 C THR A 41 -9.142 45.160 -2.767 1.00 0.00 C ATOM 646 O THR A 41 -9.695 46.253 -2.645 1.00 0.00 O ATOM 647 CB THR A 41 -11.032 43.583 -3.167 1.00 0.00 C ATOM 648 OG1 THR A 41 -11.541 42.297 -2.841 1.00 0.00 O ATOM 649 CG2 THR A 41 -10.619 43.609 -4.642 1.00 0.00 C ATOM 0 H THR A 41 -11.113 44.521 -0.758 1.00 0.00 H new ATOM 0 HA THR A 41 -9.103 43.068 -2.358 1.00 0.00 H new ATOM 0 HB THR A 41 -11.801 44.335 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.320 42.101 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.486 43.392 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.228 44.595 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.849 42.858 -4.817 1.00 0.00 H new ATOM 657 N PHE A 42 -7.942 45.015 -3.324 1.00 0.00 N ATOM 658 CA PHE A 42 -7.206 46.169 -3.828 1.00 0.00 C ATOM 659 C PHE A 42 -6.338 45.771 -5.020 1.00 0.00 C ATOM 660 O PHE A 42 -5.666 44.744 -4.993 1.00 0.00 O ATOM 661 CB PHE A 42 -6.316 46.744 -2.712 1.00 0.00 C ATOM 662 CG PHE A 42 -6.100 48.224 -2.943 1.00 0.00 C ATOM 663 CD1 PHE A 42 -7.196 49.089 -2.927 1.00 0.00 C ATOM 664 CD2 PHE A 42 -4.816 48.725 -3.178 1.00 0.00 C ATOM 665 CE1 PHE A 42 -7.016 50.457 -3.143 1.00 0.00 C ATOM 666 CE2 PHE A 42 -4.632 50.096 -3.394 1.00 0.00 C ATOM 667 CZ PHE A 42 -5.731 50.961 -3.377 1.00 0.00 C ATOM 0 H PHE A 42 -7.464 44.121 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.922 46.925 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.784 46.582 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.358 46.225 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.187 48.699 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.968 48.056 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.865 51.124 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.641 50.486 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.588 52.018 -3.544 1.00 0.00 H new ATOM 677 N CYS A 43 -6.349 46.597 -6.057 1.00 0.00 N ATOM 678 CA CYS A 43 -5.551 46.324 -7.245 1.00 0.00 C ATOM 679 C CYS A 43 -5.693 44.865 -7.669 1.00 0.00 C ATOM 680 O CYS A 43 -4.749 44.263 -8.181 1.00 0.00 O ATOM 681 CB CYS A 43 -4.078 46.638 -6.969 1.00 0.00 C ATOM 682 SG CYS A 43 -3.116 46.396 -8.483 1.00 0.00 S ATOM 0 H CYS A 43 -6.897 47.456 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.913 46.959 -8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.973 47.665 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.699 45.991 -6.177 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.421 45.248 -9.012 1.00 0.00 H new ATOM 688 N GLY A 44 -6.878 44.308 -7.461 1.00 0.00 N ATOM 689 CA GLY A 44 -7.136 42.924 -7.839 1.00 0.00 C ATOM 690 C GLY A 44 -6.458 41.953 -6.884 1.00 0.00 C ATOM 691 O GLY A 44 -6.040 40.866 -7.281 1.00 0.00 O ATOM 0 H GLY A 44 -7.671 44.788 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.210 42.741 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.778 42.749 -8.853 1.00 0.00 H new ATOM 695 N GLN A 45 -6.349 42.349 -5.620 1.00 0.00 N ATOM 696 CA GLN A 45 -5.720 41.503 -4.605 1.00 0.00 C ATOM 697 C GLN A 45 -6.548 41.508 -3.330 1.00 0.00 C ATOM 698 O GLN A 45 -6.865 42.565 -2.789 1.00 0.00 O ATOM 699 CB GLN A 45 -4.308 42.002 -4.310 1.00 0.00 C ATOM 700 CG GLN A 45 -3.400 41.690 -5.496 1.00 0.00 C ATOM 701 CD GLN A 45 -2.020 42.295 -5.265 1.00 0.00 C ATOM 702 OE1 GLN A 45 -1.891 43.512 -5.125 1.00 0.00 O ATOM 703 NE2 GLN A 45 -0.974 41.517 -5.218 1.00 0.00 N ATOM 0 H GLN A 45 -6.686 43.247 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.665 40.483 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.322 43.076 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.923 41.525 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.316 40.611 -5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.834 42.090 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.082 40.509 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.048 41.916 -5.065 1.00 0.00 H new ATOM 712 N THR A 46 -6.907 40.314 -2.859 1.00 0.00 N ATOM 713 CA THR A 46 -7.711 40.188 -1.647 1.00 0.00 C ATOM 714 C THR A 46 -6.873 39.689 -0.480 1.00 0.00 C ATOM 715 O THR A 46 -6.483 38.523 -0.435 1.00 0.00 O ATOM 716 CB THR A 46 -8.868 39.217 -1.890 1.00 0.00 C ATOM 717 OG1 THR A 46 -8.361 37.893 -1.981 1.00 0.00 O ATOM 718 CG2 THR A 46 -9.581 39.585 -3.193 1.00 0.00 C ATOM 0 H THR A 46 -6.655 39.427 -3.295 1.00 0.00 H new ATOM 0 HA THR A 46 -8.100 41.175 -1.397 1.00 0.00 H new ATOM 0 HB THR A 46 -9.575 39.279 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.807 37.700 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.405 38.893 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.970 40.601 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.877 39.524 -4.023 1.00 0.00 H new ATOM 726 N PHE A 47 -6.597 40.584 0.469 1.00 0.00 N ATOM 727 CA PHE A 47 -5.805 40.223 1.642 1.00 0.00 C ATOM 728 C PHE A 47 -6.721 39.764 2.773 1.00 0.00 C ATOM 729 O PHE A 47 -7.771 40.362 3.016 1.00 0.00 O ATOM 730 CB PHE A 47 -4.975 41.415 2.110 1.00 0.00 C ATOM 731 CG PHE A 47 -4.102 41.888 0.975 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.668 42.595 -0.085 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.726 41.628 0.987 1.00 0.00 C ATOM 734 CE1 PHE A 47 -3.864 43.047 -1.138 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.920 42.074 -0.065 1.00 0.00 C ATOM 736 CZ PHE A 47 -2.486 42.785 -1.129 1.00 0.00 C ATOM 0 H PHE A 47 -6.907 41.555 0.448 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.135 39.408 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.629 42.221 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.360 41.132 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.729 42.794 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.287 41.083 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.304 43.597 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.860 41.870 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.864 43.131 -1.941 1.00 0.00 H new ATOM 746 N GLN A 48 -6.322 38.696 3.458 1.00 0.00 N ATOM 747 CA GLN A 48 -7.117 38.161 4.560 1.00 0.00 C ATOM 748 C GLN A 48 -6.232 37.397 5.537 1.00 0.00 C ATOM 749 O GLN A 48 -5.225 36.805 5.145 1.00 0.00 O ATOM 750 CB GLN A 48 -8.204 37.230 4.016 1.00 0.00 C ATOM 751 CG GLN A 48 -7.561 36.115 3.193 1.00 0.00 C ATOM 752 CD GLN A 48 -8.641 35.222 2.592 1.00 0.00 C ATOM 753 OE1 GLN A 48 -9.815 35.590 2.576 1.00 0.00 O ATOM 754 NE2 GLN A 48 -8.311 34.066 2.086 1.00 0.00 N ATOM 0 H GLN A 48 -5.458 38.186 3.271 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.583 38.995 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.777 36.804 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.904 37.794 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.949 36.544 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.897 35.523 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.337 33.762 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.027 33.466 1.676 1.00 0.00 H new ATOM 763 N SER A 49 -6.615 37.408 6.809 1.00 0.00 N ATOM 764 CA SER A 49 -5.853 36.707 7.838 1.00 0.00 C ATOM 765 C SER A 49 -6.315 35.258 7.948 1.00 0.00 C ATOM 766 O SER A 49 -7.348 34.882 7.395 1.00 0.00 O ATOM 767 CB SER A 49 -6.025 37.405 9.185 1.00 0.00 C ATOM 768 OG SER A 49 -7.212 36.936 9.809 1.00 0.00 O ATOM 0 H SER A 49 -7.445 37.892 7.152 1.00 0.00 H new ATOM 0 HA SER A 49 -4.800 36.721 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.163 37.208 9.822 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.077 38.485 9.044 1.00 0.00 H new ATOM 0 HG SER A 49 -7.748 37.700 10.108 1.00 0.00 H new ATOM 774 N SER A 50 -5.546 34.450 8.669 1.00 0.00 N ATOM 775 CA SER A 50 -5.885 33.039 8.851 1.00 0.00 C ATOM 776 C SER A 50 -6.713 32.846 10.114 1.00 0.00 C ATOM 777 O SER A 50 -7.073 31.726 10.465 1.00 0.00 O ATOM 778 CB SER A 50 -4.611 32.204 8.947 1.00 0.00 C ATOM 779 OG SER A 50 -3.931 32.518 10.155 1.00 0.00 O ATOM 0 H SER A 50 -4.688 34.743 9.136 1.00 0.00 H new ATOM 0 HA SER A 50 -6.470 32.713 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.856 31.142 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.966 32.404 8.091 1.00 0.00 H new ATOM 0 HG SER A 50 -3.113 31.981 10.219 1.00 0.00 H new ATOM 785 N GLU A 51 -7.012 33.951 10.796 1.00 0.00 N ATOM 786 CA GLU A 51 -7.801 33.900 12.029 1.00 0.00 C ATOM 787 C GLU A 51 -9.020 34.801 11.914 1.00 0.00 C ATOM 788 O GLU A 51 -9.110 35.632 11.012 1.00 0.00 O ATOM 789 CB GLU A 51 -6.944 34.340 13.215 1.00 0.00 C ATOM 790 CG GLU A 51 -6.437 35.765 12.980 1.00 0.00 C ATOM 791 CD GLU A 51 -5.563 36.206 14.148 1.00 0.00 C ATOM 792 OE1 GLU A 51 -5.524 35.490 15.137 1.00 0.00 O ATOM 793 OE2 GLU A 51 -4.938 37.245 14.035 1.00 0.00 O1- ATOM 0 H GLU A 51 -6.722 34.889 10.518 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.134 32.874 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.528 34.298 14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.102 33.659 13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.867 35.809 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.281 36.446 12.869 1.00 0.00 H new ATOM 800 N PHE A 52 -9.958 34.628 12.835 1.00 0.00 N ATOM 801 CA PHE A 52 -11.187 35.421 12.842 1.00 0.00 C ATOM 802 C PHE A 52 -11.194 36.362 14.032 1.00 0.00 C ATOM 803 O PHE A 52 -10.748 36.020 15.124 1.00 0.00 O ATOM 804 CB PHE A 52 -12.423 34.499 12.900 1.00 0.00 C ATOM 805 CG PHE A 52 -12.008 33.139 13.403 1.00 0.00 C ATOM 806 CD1 PHE A 52 -11.188 32.345 12.613 1.00 0.00 C ATOM 807 CD2 PHE A 52 -12.444 32.685 14.644 1.00 0.00 C ATOM 808 CE1 PHE A 52 -10.791 31.071 13.063 1.00 0.00 C ATOM 809 CE2 PHE A 52 -12.059 31.418 15.102 1.00 0.00 C ATOM 810 CZ PHE A 52 -11.232 30.607 14.311 1.00 0.00 C ATOM 0 H PHE A 52 -9.894 33.945 13.590 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.226 36.005 11.923 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.180 34.927 13.557 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.873 34.412 11.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.854 32.705 11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.079 33.309 15.254 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.150 30.454 12.450 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.399 31.066 16.065 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.936 29.629 14.661 1.00 0.00 H new ATOM 820 N PHE A 53 -11.701 37.550 13.795 1.00 0.00 N ATOM 821 CA PHE A 53 -11.773 38.574 14.847 1.00 0.00 C ATOM 822 C PHE A 53 -13.143 38.553 15.537 1.00 0.00 C ATOM 823 O PHE A 53 -14.161 38.270 14.901 1.00 0.00 O ATOM 824 CB PHE A 53 -11.502 39.973 14.274 1.00 0.00 C ATOM 825 CG PHE A 53 -10.621 39.844 13.061 1.00 0.00 C ATOM 826 CD1 PHE A 53 -11.184 39.528 11.822 1.00 0.00 C ATOM 827 CD2 PHE A 53 -9.247 40.033 13.172 1.00 0.00 C ATOM 828 CE1 PHE A 53 -10.375 39.408 10.690 1.00 0.00 C ATOM 829 CE2 PHE A 53 -8.441 39.907 12.045 1.00 0.00 C ATOM 830 CZ PHE A 53 -8.998 39.596 10.802 1.00 0.00 C ATOM 0 H PHE A 53 -12.072 37.844 12.891 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.003 38.343 15.584 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.441 40.459 14.007 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -11.020 40.600 15.024 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.250 39.376 11.739 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.808 40.276 14.128 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.814 39.171 9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.374 40.051 12.132 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.365 39.502 9.932 1.00 0.00 H new ATOM 840 N PRO A 54 -13.189 38.849 16.814 1.00 0.00 N ATOM 841 CA PRO A 54 -14.459 38.854 17.594 1.00 0.00 C ATOM 842 C PRO A 54 -15.327 40.069 17.288 1.00 0.00 C ATOM 843 O PRO A 54 -16.461 40.163 17.755 1.00 0.00 O ATOM 844 CB PRO A 54 -13.982 38.869 19.053 1.00 0.00 C ATOM 845 CG PRO A 54 -12.646 39.539 19.021 1.00 0.00 C ATOM 846 CD PRO A 54 -12.035 39.219 17.656 1.00 0.00 C ATOM 0 HA PRO A 54 -15.090 37.999 17.353 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.680 39.412 19.690 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.906 37.858 19.453 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.748 40.616 19.158 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.009 39.174 19.827 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.504 40.079 17.247 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.315 38.403 17.724 1.00 0.00 H new ATOM 854 N THR A 55 -14.782 41.008 16.518 1.00 0.00 N ATOM 855 CA THR A 55 -15.514 42.227 16.173 1.00 0.00 C ATOM 856 C THR A 55 -15.454 42.485 14.674 1.00 0.00 C ATOM 857 O THR A 55 -14.516 42.070 13.995 1.00 0.00 O ATOM 858 CB THR A 55 -14.911 43.418 16.922 1.00 0.00 C ATOM 859 OG1 THR A 55 -14.645 43.049 18.268 1.00 0.00 O ATOM 860 CG2 THR A 55 -15.890 44.589 16.896 1.00 0.00 C ATOM 0 H THR A 55 -13.843 40.951 16.123 1.00 0.00 H new ATOM 0 HA THR A 55 -16.557 42.099 16.463 1.00 0.00 H new ATOM 0 HB THR A 55 -13.981 43.715 16.438 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.257 43.812 18.746 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.459 45.436 17.430 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.089 44.874 15.863 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.823 44.294 17.377 1.00 0.00 H new ATOM 868 N LEU A 56 -16.484 43.151 14.161 1.00 0.00 N ATOM 869 CA LEU A 56 -16.547 43.437 12.734 1.00 0.00 C ATOM 870 C LEU A 56 -15.425 44.383 12.320 1.00 0.00 C ATOM 871 O LEU A 56 -14.574 44.032 11.497 1.00 0.00 O ATOM 872 CB LEU A 56 -17.906 44.064 12.391 1.00 0.00 C ATOM 873 CG LEU A 56 -18.352 43.596 11.002 1.00 0.00 C ATOM 874 CD1 LEU A 56 -19.703 44.212 10.669 1.00 0.00 C ATOM 875 CD2 LEU A 56 -17.316 44.026 9.957 1.00 0.00 C ATOM 0 H LEU A 56 -17.275 43.498 14.704 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.428 42.501 12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.648 43.780 13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.832 45.151 12.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.439 42.509 10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -20.021 43.879 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.438 43.900 11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.619 45.299 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.635 43.692 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.225 45.112 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.351 43.580 10.197 1.00 0.00 H new ATOM 887 N LYS A 57 -15.433 45.597 12.869 1.00 0.00 N ATOM 888 CA LYS A 57 -14.440 46.592 12.512 1.00 0.00 C ATOM 889 C LYS A 57 -13.045 46.022 12.659 1.00 0.00 C ATOM 890 O LYS A 57 -12.151 46.353 11.887 1.00 0.00 O ATOM 891 CB LYS A 57 -14.590 47.808 13.440 1.00 0.00 C ATOM 892 CG LYS A 57 -15.948 48.479 13.206 1.00 0.00 C ATOM 893 CD LYS A 57 -16.124 49.636 14.194 1.00 0.00 C ATOM 894 CE LYS A 57 -17.512 50.258 14.011 1.00 0.00 C ATOM 895 NZ LYS A 57 -17.730 51.302 15.051 1.00 0.00 N1+ ATOM 0 H LYS A 57 -16.116 45.908 13.560 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.592 46.889 11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.504 47.495 14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.786 48.520 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.011 48.848 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.751 47.753 13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.007 49.276 15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.352 50.388 14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.597 50.697 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.280 49.488 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.672 51.724 14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.666 50.870 15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.004 52.041 14.958 1.00 0.00 H new ATOM 909 N SER A 58 -12.864 45.148 13.641 1.00 0.00 N ATOM 910 CA SER A 58 -11.564 44.527 13.862 1.00 0.00 C ATOM 911 C SER A 58 -11.088 43.824 12.595 1.00 0.00 C ATOM 912 O SER A 58 -9.894 43.788 12.305 1.00 0.00 O ATOM 913 CB SER A 58 -11.651 43.524 15.010 1.00 0.00 C ATOM 914 OG SER A 58 -11.764 44.229 16.239 1.00 0.00 O ATOM 0 H SER A 58 -13.593 44.855 14.291 1.00 0.00 H new ATOM 0 HA SER A 58 -10.847 45.306 14.122 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.511 42.869 14.872 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.765 42.889 15.022 1.00 0.00 H new ATOM 0 HG SER A 58 -11.822 43.589 16.979 1.00 0.00 H new ATOM 920 N ALA A 59 -12.026 43.260 11.847 1.00 0.00 N ATOM 921 CA ALA A 59 -11.683 42.564 10.615 1.00 0.00 C ATOM 922 C ALA A 59 -11.262 43.554 9.533 1.00 0.00 C ATOM 923 O ALA A 59 -10.236 43.374 8.880 1.00 0.00 O ATOM 924 CB ALA A 59 -12.883 41.755 10.128 1.00 0.00 C ATOM 0 H ALA A 59 -13.022 43.270 12.069 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.847 41.895 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.622 41.236 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -13.163 41.026 10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.722 42.425 9.942 1.00 0.00 H new ATOM 930 N GLU A 60 -12.062 44.601 9.352 1.00 0.00 N ATOM 931 CA GLU A 60 -11.763 45.617 8.347 1.00 0.00 C ATOM 932 C GLU A 60 -10.452 46.323 8.682 1.00 0.00 C ATOM 933 O GLU A 60 -9.662 46.641 7.793 1.00 0.00 O ATOM 934 CB GLU A 60 -12.896 46.642 8.291 1.00 0.00 C ATOM 935 CG GLU A 60 -14.156 45.977 7.733 1.00 0.00 C ATOM 936 CD GLU A 60 -15.323 46.957 7.772 1.00 0.00 C ATOM 937 OE1 GLU A 60 -15.119 48.071 8.224 1.00 0.00 O ATOM 938 OE2 GLU A 60 -16.404 46.578 7.351 1.00 0.00 O1- ATOM 0 H GLU A 60 -12.916 44.768 9.884 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.666 45.130 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.092 47.039 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.608 47.485 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.981 45.648 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.397 45.088 8.316 1.00 0.00 H new ATOM 945 N HIS A 61 -10.227 46.567 9.969 1.00 0.00 N ATOM 946 CA HIS A 61 -9.004 47.231 10.402 1.00 0.00 C ATOM 947 C HIS A 61 -7.789 46.345 10.129 1.00 0.00 C ATOM 948 O HIS A 61 -6.771 46.808 9.613 1.00 0.00 O ATOM 949 CB HIS A 61 -9.101 47.566 11.911 1.00 0.00 C ATOM 950 CG HIS A 61 -7.929 46.978 12.659 1.00 0.00 C ATOM 951 ND1 HIS A 61 -6.672 47.545 12.612 1.00 0.00 N ATOM 952 CD2 HIS A 61 -7.802 45.852 13.427 1.00 0.00 C ATOM 953 CE1 HIS A 61 -5.848 46.768 13.331 1.00 0.00 C ATOM 954 NE2 HIS A 61 -6.488 45.720 13.852 1.00 0.00 N ATOM 0 H HIS A 61 -10.868 46.318 10.722 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.883 48.156 9.839 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.123 48.647 12.049 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -10.033 47.174 12.318 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -6.416 48.401 12.119 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.604 45.169 13.666 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.796 46.967 13.471 1.00 0.00 H new ATOM 962 N ALA A 62 -7.895 45.082 10.521 1.00 0.00 N ATOM 963 CA ALA A 62 -6.797 44.147 10.341 1.00 0.00 C ATOM 964 C ALA A 62 -6.593 43.846 8.863 1.00 0.00 C ATOM 965 O ALA A 62 -5.465 43.722 8.397 1.00 0.00 O ATOM 966 CB ALA A 62 -7.084 42.845 11.094 1.00 0.00 C ATOM 0 H ALA A 62 -8.725 44.685 10.962 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.890 44.601 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.255 42.152 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.201 43.058 12.157 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.001 42.397 10.710 1.00 0.00 H new ATOM 972 N ALA A 63 -7.695 43.725 8.133 1.00 0.00 N ATOM 973 CA ALA A 63 -7.621 43.422 6.709 1.00 0.00 C ATOM 974 C ALA A 63 -6.812 44.480 5.968 1.00 0.00 C ATOM 975 O ALA A 63 -5.846 44.162 5.267 1.00 0.00 O ATOM 976 CB ALA A 63 -9.032 43.362 6.119 1.00 0.00 C ATOM 0 H ALA A 63 -8.641 43.831 8.498 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.127 42.457 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.972 43.135 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.605 42.584 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.526 44.324 6.258 1.00 0.00 H new ATOM 982 N ALA A 64 -7.197 45.743 6.134 1.00 0.00 N ATOM 983 CA ALA A 64 -6.494 46.838 5.478 1.00 0.00 C ATOM 984 C ALA A 64 -5.064 46.934 5.993 1.00 0.00 C ATOM 985 O ALA A 64 -4.147 47.219 5.233 1.00 0.00 O ATOM 986 CB ALA A 64 -7.225 48.154 5.739 1.00 0.00 C ATOM 0 H ALA A 64 -7.986 46.030 6.713 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.470 46.645 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.695 48.969 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.240 48.091 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.263 48.343 6.812 1.00 0.00 H new ATOM 992 N LYS A 65 -4.880 46.691 7.286 1.00 0.00 N ATOM 993 CA LYS A 65 -3.552 46.749 7.884 1.00 0.00 C ATOM 994 C LYS A 65 -2.610 45.786 7.175 1.00 0.00 C ATOM 995 O LYS A 65 -1.454 46.126 6.908 1.00 0.00 O ATOM 996 CB LYS A 65 -3.634 46.377 9.366 1.00 0.00 C ATOM 997 CG LYS A 65 -2.259 46.554 10.016 1.00 0.00 C ATOM 998 CD LYS A 65 -2.358 46.255 11.511 1.00 0.00 C ATOM 999 CE LYS A 65 -0.983 46.436 12.160 1.00 0.00 C ATOM 1000 NZ LYS A 65 -1.084 46.159 13.621 1.00 0.00 N1+ ATOM 0 H LYS A 65 -5.629 46.453 7.937 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.168 47.764 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.369 47.005 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.969 45.345 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.535 45.886 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.900 47.572 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.083 46.921 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.714 45.237 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.260 45.762 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.622 47.451 11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.151 46.282 14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.761 46.819 14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.411 45.183 13.767 1.00 0.00 H new ATOM 1014 N ILE A 66 -3.097 44.583 6.860 1.00 0.00 N ATOM 1015 CA ILE A 66 -2.266 43.598 6.185 1.00 0.00 C ATOM 1016 C ILE A 66 -1.799 44.139 4.837 1.00 0.00 C ATOM 1017 O ILE A 66 -0.640 43.967 4.454 1.00 0.00 O ATOM 1018 CB ILE A 66 -3.072 42.304 5.983 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -3.309 41.636 7.339 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -2.298 41.351 5.075 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -4.389 40.562 7.197 1.00 0.00 C ATOM 0 H ILE A 66 -4.049 44.276 7.060 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.389 43.387 6.797 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.030 42.544 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.383 41.190 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.615 42.380 8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.872 40.435 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.130 41.826 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.339 41.111 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.558 40.086 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.315 41.021 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.064 39.813 6.475 1.00 0.00 H new ATOM 1033 N ALA A 67 -2.706 44.782 4.122 1.00 0.00 N ATOM 1034 CA ALA A 67 -2.378 45.342 2.812 1.00 0.00 C ATOM 1035 C ALA A 67 -1.501 46.575 2.966 1.00 0.00 C ATOM 1036 O ALA A 67 -0.480 46.713 2.296 1.00 0.00 O ATOM 1037 CB ALA A 67 -3.655 45.704 2.055 1.00 0.00 C ATOM 0 H ALA A 67 -3.670 44.931 4.419 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.831 44.590 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.395 46.120 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.262 44.809 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.220 46.441 2.626 1.00 0.00 H new ATOM 1043 N VAL A 68 -1.900 47.468 3.858 1.00 0.00 N ATOM 1044 CA VAL A 68 -1.152 48.689 4.096 1.00 0.00 C ATOM 1045 C VAL A 68 0.277 48.355 4.505 1.00 0.00 C ATOM 1046 O VAL A 68 1.222 49.002 4.053 1.00 0.00 O ATOM 1047 CB VAL A 68 -1.828 49.514 5.206 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -0.854 50.566 5.749 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -3.066 50.218 4.641 1.00 0.00 C ATOM 0 H VAL A 68 -2.739 47.368 4.429 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.134 49.273 3.176 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.121 48.844 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.343 51.144 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.026 50.070 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.552 51.233 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.544 50.802 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.769 50.880 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.768 49.474 4.265 1.00 0.00 H new ATOM 1059 N ALA A 69 0.429 47.358 5.368 1.00 0.00 N ATOM 1060 CA ALA A 69 1.751 46.962 5.831 1.00 0.00 C ATOM 1061 C ALA A 69 2.538 46.291 4.709 1.00 0.00 C ATOM 1062 O ALA A 69 3.763 46.219 4.756 1.00 0.00 O ATOM 1063 CB ALA A 69 1.623 45.997 7.012 1.00 0.00 C ATOM 0 H ALA A 69 -0.340 46.814 5.758 1.00 0.00 H new ATOM 0 HA ALA A 69 2.285 47.858 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.616 45.705 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.089 46.487 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.072 45.110 6.699 1.00 0.00 H new ATOM 1069 N SER A 70 1.822 45.802 3.704 1.00 0.00 N ATOM 1070 CA SER A 70 2.462 45.146 2.569 1.00 0.00 C ATOM 1071 C SER A 70 3.026 46.179 1.595 1.00 0.00 C ATOM 1072 O SER A 70 4.067 45.964 0.977 1.00 0.00 O ATOM 1073 CB SER A 70 1.460 44.246 1.850 1.00 0.00 C ATOM 1074 OG SER A 70 2.122 43.547 0.806 1.00 0.00 O ATOM 0 H SER A 70 0.804 45.846 3.651 1.00 0.00 H new ATOM 0 HA SER A 70 3.285 44.538 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.018 43.540 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.644 44.843 1.443 1.00 0.00 H new ATOM 0 HG SER A 70 1.482 42.967 0.343 1.00 0.00 H new ATOM 1080 N LEU A 71 2.319 47.292 1.459 1.00 0.00 N ATOM 1081 CA LEU A 71 2.742 48.354 0.555 1.00 0.00 C ATOM 1082 C LEU A 71 3.995 49.032 1.075 1.00 0.00 C ATOM 1083 O LEU A 71 4.819 49.503 0.291 1.00 0.00 O ATOM 1084 CB LEU A 71 1.629 49.390 0.399 1.00 0.00 C ATOM 1085 CG LEU A 71 0.399 48.731 -0.236 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -0.754 49.738 -0.276 1.00 0.00 C ATOM 1087 CD2 LEU A 71 0.728 48.267 -1.663 1.00 0.00 C ATOM 0 H LEU A 71 1.452 47.484 1.961 1.00 0.00 H new ATOM 0 HA LEU A 71 2.959 47.908 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.369 49.808 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.973 50.217 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 71 0.109 47.866 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.629 49.271 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.995 50.056 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.460 50.605 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.152 47.800 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.025 49.125 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.545 47.546 -1.632 1.00 0.00 H new ATOM 1248 N TYR A 83 15.021 60.339 10.003 1.00 0.00 N ATOM 1249 CA TYR A 83 14.148 61.518 9.844 1.00 0.00 C ATOM 1250 C TYR A 83 14.736 62.471 8.785 1.00 0.00 C ATOM 1251 O TYR A 83 14.025 63.295 8.213 1.00 0.00 O ATOM 1252 CB TYR A 83 14.033 62.261 11.188 1.00 0.00 C ATOM 1253 CG TYR A 83 14.041 61.262 12.321 1.00 0.00 C ATOM 1254 CD1 TYR A 83 13.282 60.091 12.231 1.00 0.00 C ATOM 1255 CD2 TYR A 83 14.812 61.509 13.464 1.00 0.00 C ATOM 1256 CE1 TYR A 83 13.294 59.165 13.280 1.00 0.00 C ATOM 1257 CE2 TYR A 83 14.823 60.586 14.514 1.00 0.00 C ATOM 1258 CZ TYR A 83 14.062 59.414 14.422 1.00 0.00 C ATOM 1259 OH TYR A 83 14.071 58.501 15.458 1.00 0.00 O ATOM 0 HA TYR A 83 13.161 61.186 9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 83 14.861 62.960 11.301 1.00 0.00 H new ATOM 0 HB3 TYR A 83 13.115 62.848 11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 83 12.686 59.901 11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.398 62.413 13.534 1.00 0.00 H new ATOM 0 HE1 TYR A 83 12.711 58.259 13.208 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.418 60.777 15.395 1.00 0.00 H new ATOM 0 HH TYR A 83 14.821 58.694 16.058 1.00 0.00 H new ATOM 1269 N LYS A 84 16.024 62.302 8.519 1.00 0.00 N ATOM 1270 CA LYS A 84 16.692 63.106 7.497 1.00 0.00 C ATOM 1271 C LYS A 84 16.004 62.862 6.149 1.00 0.00 C ATOM 1272 O LYS A 84 15.743 63.799 5.395 1.00 0.00 O ATOM 1273 CB LYS A 84 18.167 62.739 7.408 1.00 0.00 C ATOM 1274 CG LYS A 84 18.873 63.209 8.676 1.00 0.00 C ATOM 1275 CD LYS A 84 20.353 62.833 8.602 1.00 0.00 C ATOM 1276 CE LYS A 84 21.049 63.243 9.903 1.00 0.00 C ATOM 1277 NZ LYS A 84 21.045 64.729 10.022 1.00 0.00 N1+ ATOM 0 H LYS A 84 16.624 61.624 8.989 1.00 0.00 H new ATOM 0 HA LYS A 84 16.622 64.161 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 84 18.280 61.661 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.618 63.204 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.766 64.288 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.414 62.752 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.459 61.760 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.823 63.329 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.538 62.798 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 84 22.073 62.869 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.748 65.022 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.283 65.152 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.101 65.051 10.317 1.00 0.00 H new ATOM 1291 N ASN A 85 15.725 61.596 5.852 1.00 0.00 N ATOM 1292 CA ASN A 85 15.072 61.249 4.591 1.00 0.00 C ATOM 1293 C ASN A 85 13.678 61.871 4.532 1.00 0.00 C ATOM 1294 O ASN A 85 13.260 62.388 3.500 1.00 0.00 O ATOM 1295 CB ASN A 85 14.960 59.728 4.464 1.00 0.00 C ATOM 1296 CG ASN A 85 13.494 59.321 4.351 1.00 0.00 C ATOM 1297 OD1 ASN A 85 12.604 60.156 4.512 1.00 0.00 O ATOM 1298 ND2 ASN A 85 13.190 58.081 4.081 1.00 0.00 N ATOM 0 H ASN A 85 15.937 60.802 6.457 1.00 0.00 H new ATOM 0 HA ASN A 85 15.671 61.637 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.510 59.387 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.414 59.248 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.212 57.801 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.930 57.392 3.948 1.00 0.00 H new ATOM 1305 N LEU A 86 12.965 61.812 5.649 1.00 0.00 N ATOM 1306 CA LEU A 86 11.618 62.358 5.701 1.00 0.00 C ATOM 1307 C LEU A 86 11.620 63.849 5.378 1.00 0.00 C ATOM 1308 O LEU A 86 10.848 64.314 4.541 1.00 0.00 O ATOM 1309 CB LEU A 86 11.033 62.137 7.089 1.00 0.00 C ATOM 1310 CG LEU A 86 9.597 62.718 7.146 1.00 0.00 C ATOM 1311 CD1 LEU A 86 8.662 61.722 7.839 1.00 0.00 C ATOM 1312 CD2 LEU A 86 9.604 64.034 7.929 1.00 0.00 C ATOM 0 H LEU A 86 13.293 61.397 6.521 1.00 0.00 H new ATOM 0 HA LEU A 86 11.009 61.846 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.015 61.072 7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.661 62.617 7.840 1.00 0.00 H new ATOM 0 HG LEU A 86 9.246 62.900 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.654 62.135 7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.650 60.786 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.016 61.536 8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.593 64.440 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.961 63.852 8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.263 64.748 7.435 1.00 0.00 H new ATOM 1324 N LEU A 87 12.500 64.591 6.040 1.00 0.00 N ATOM 1325 CA LEU A 87 12.599 66.027 5.814 1.00 0.00 C ATOM 1326 C LEU A 87 12.974 66.299 4.362 1.00 0.00 C ATOM 1327 O LEU A 87 12.525 67.275 3.764 1.00 0.00 O ATOM 1328 CB LEU A 87 13.654 66.626 6.744 1.00 0.00 C ATOM 1329 CG LEU A 87 13.217 66.433 8.201 1.00 0.00 C ATOM 1330 CD1 LEU A 87 14.372 66.816 9.132 1.00 0.00 C ATOM 1331 CD2 LEU A 87 11.994 67.317 8.508 1.00 0.00 C ATOM 0 H LEU A 87 13.152 64.224 6.734 1.00 0.00 H new ATOM 0 HA LEU A 87 11.634 66.488 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.618 66.146 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.784 67.687 6.529 1.00 0.00 H new ATOM 0 HG LEU A 87 12.948 65.389 8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.064 66.680 10.169 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.233 66.182 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.641 67.859 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.692 67.172 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.252 68.364 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.171 67.041 7.848 1.00 0.00 H new ATOM 1343 N GLN A 88 13.809 65.439 3.801 1.00 0.00 N ATOM 1344 CA GLN A 88 14.232 65.586 2.415 1.00 0.00 C ATOM 1345 C GLN A 88 13.128 65.114 1.469 1.00 0.00 C ATOM 1346 O GLN A 88 13.027 65.581 0.334 1.00 0.00 O ATOM 1347 CB GLN A 88 15.498 64.770 2.161 1.00 0.00 C ATOM 1348 CG GLN A 88 16.667 65.384 2.931 1.00 0.00 C ATOM 1349 CD GLN A 88 17.082 66.700 2.285 1.00 0.00 C ATOM 1350 OE1 GLN A 88 16.786 66.936 1.115 1.00 0.00 O ATOM 1351 NE2 GLN A 88 17.763 67.572 2.977 1.00 0.00 N ATOM 0 H GLN A 88 14.207 64.633 4.282 1.00 0.00 H new ATOM 0 HA GLN A 88 14.437 66.640 2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.346 63.737 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.722 64.750 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.381 65.553 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.510 64.693 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.007 67.374 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.051 68.451 2.548 1.00 0.00 H new ATOM 1360 N GLU A 89 12.305 64.176 1.944 1.00 0.00 N ATOM 1361 CA GLU A 89 11.221 63.644 1.121 1.00 0.00 C ATOM 1362 C GLU A 89 10.102 64.662 0.954 1.00 0.00 C ATOM 1363 O GLU A 89 9.638 64.910 -0.156 1.00 0.00 O ATOM 1364 CB GLU A 89 10.669 62.367 1.761 1.00 0.00 C ATOM 1365 CG GLU A 89 11.580 61.182 1.416 1.00 0.00 C ATOM 1366 CD GLU A 89 11.310 60.712 -0.010 1.00 0.00 C ATOM 1367 OE1 GLU A 89 10.235 60.990 -0.516 1.00 0.00 O ATOM 1368 OE2 GLU A 89 12.186 60.085 -0.579 1.00 0.00 O1- ATOM 0 H GLU A 89 12.368 63.775 2.880 1.00 0.00 H new ATOM 0 HA GLU A 89 11.622 63.418 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.607 62.488 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.657 62.177 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.625 61.474 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.407 60.364 2.116 1.00 0.00 H new ATOM 1375 N ILE A 90 9.674 65.246 2.062 1.00 0.00 N ATOM 1376 CA ILE A 90 8.602 66.233 2.027 1.00 0.00 C ATOM 1377 C ILE A 90 9.055 67.475 1.261 1.00 0.00 C ATOM 1378 O ILE A 90 8.303 68.031 0.463 1.00 0.00 O ATOM 1379 CB ILE A 90 8.204 66.616 3.460 1.00 0.00 C ATOM 1380 CG1 ILE A 90 9.455 67.102 4.236 1.00 0.00 C ATOM 1381 CG2 ILE A 90 7.602 65.398 4.164 1.00 0.00 C ATOM 1382 CD1 ILE A 90 9.490 68.631 4.270 1.00 0.00 C ATOM 0 H ILE A 90 10.048 65.057 2.992 1.00 0.00 H new ATOM 0 HA ILE A 90 7.739 65.803 1.518 1.00 0.00 H new ATOM 0 HB ILE A 90 7.467 67.418 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.438 66.708 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 90 10.359 66.720 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.319 65.669 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.720 65.062 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.338 64.594 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.372 68.963 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.529 69.017 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.594 69.005 4.766 1.00 0.00 H new ATOM 1394 N ALA A 91 10.286 67.909 1.520 1.00 0.00 N ATOM 1395 CA ALA A 91 10.825 69.086 0.850 1.00 0.00 C ATOM 1396 C ALA A 91 10.860 68.866 -0.656 1.00 0.00 C ATOM 1397 O ALA A 91 10.433 69.723 -1.426 1.00 0.00 O ATOM 1398 CB ALA A 91 12.239 69.381 1.353 1.00 0.00 C ATOM 0 H ALA A 91 10.923 67.467 2.183 1.00 0.00 H new ATOM 0 HA ALA A 91 10.179 69.935 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.630 70.262 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.212 69.564 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.884 68.527 1.146 1.00 0.00 H new ATOM 1404 N GLN A 92 11.378 67.712 -1.072 1.00 0.00 N ATOM 1405 CA GLN A 92 11.465 67.397 -2.493 1.00 0.00 C ATOM 1406 C GLN A 92 10.086 67.111 -3.075 1.00 0.00 C ATOM 1407 O GLN A 92 9.758 67.556 -4.174 1.00 0.00 O ATOM 1408 CB GLN A 92 12.374 66.184 -2.704 1.00 0.00 C ATOM 1409 CG GLN A 92 13.822 66.567 -2.391 1.00 0.00 C ATOM 1410 CD GLN A 92 14.726 65.347 -2.525 1.00 0.00 C ATOM 1411 OE1 GLN A 92 14.575 64.376 -1.781 1.00 0.00 O ATOM 1412 NE2 GLN A 92 15.660 65.335 -3.435 1.00 0.00 N ATOM 0 H GLN A 92 11.740 66.988 -0.452 1.00 0.00 H new ATOM 0 HA GLN A 92 11.884 68.262 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.057 65.363 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.295 65.832 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.154 67.352 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.890 66.970 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.783 66.139 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.267 64.521 -3.532 1.00 0.00 H new ATOM 1421 N LYS A 93 9.282 66.360 -2.329 1.00 0.00 N ATOM 1422 CA LYS A 93 7.942 66.014 -2.786 1.00 0.00 C ATOM 1423 C LYS A 93 7.103 67.272 -2.973 1.00 0.00 C ATOM 1424 O LYS A 93 6.455 67.448 -4.003 1.00 0.00 O ATOM 1425 CB LYS A 93 7.267 65.103 -1.761 1.00 0.00 C ATOM 1426 CG LYS A 93 5.909 64.640 -2.299 1.00 0.00 C ATOM 1427 CD LYS A 93 5.200 63.786 -1.245 1.00 0.00 C ATOM 1428 CE LYS A 93 5.851 62.402 -1.166 1.00 0.00 C ATOM 1429 NZ LYS A 93 4.985 61.491 -0.375 1.00 0.00 N1+ ATOM 0 H LYS A 93 9.532 65.983 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 93 8.023 65.496 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.900 64.240 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.134 65.635 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.295 65.503 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.047 64.065 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.251 64.277 -0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.144 63.686 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.999 62.001 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.835 62.477 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.427 60.551 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.865 61.873 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.055 61.410 -0.834 1.00 0.00 H new ATOM 1443 N GLU A 94 7.122 68.143 -1.972 1.00 0.00 N ATOM 1444 CA GLU A 94 6.361 69.388 -2.040 1.00 0.00 C ATOM 1445 C GLU A 94 7.143 70.451 -2.803 1.00 0.00 C ATOM 1446 O GLU A 94 6.555 71.281 -3.495 1.00 0.00 O ATOM 1447 CB GLU A 94 6.055 69.893 -0.631 1.00 0.00 C ATOM 1448 CG GLU A 94 5.078 68.935 0.052 1.00 0.00 C ATOM 1449 CD GLU A 94 4.850 69.363 1.498 1.00 0.00 C ATOM 1450 OE1 GLU A 94 5.368 70.402 1.874 1.00 0.00 O ATOM 1451 OE2 GLU A 94 4.165 68.647 2.206 1.00 0.00 O1- ATOM 0 H GLU A 94 7.651 68.014 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 94 5.426 69.191 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.975 69.966 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.627 70.894 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.130 68.925 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.472 67.919 0.023 1.00 0.00 H new ATOM 1458 N SER A 95 8.466 70.422 -2.668 1.00 0.00 N ATOM 1459 CA SER A 95 9.317 71.394 -3.350 1.00 0.00 C ATOM 1460 C SER A 95 9.259 72.743 -2.638 1.00 0.00 C ATOM 1461 O SER A 95 8.475 73.617 -3.005 1.00 0.00 O ATOM 1462 CB SER A 95 8.876 71.550 -4.809 1.00 0.00 C ATOM 1463 OG SER A 95 9.996 71.929 -5.595 1.00 0.00 O ATOM 0 H SER A 95 8.969 69.742 -2.098 1.00 0.00 H new ATOM 0 HA SER A 95 10.345 71.032 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.458 70.613 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.091 72.302 -4.886 1.00 0.00 H new ATOM 0 HG SER A 95 9.721 72.029 -6.530 1.00 0.00 H new ATOM 1469 N SER A 96 10.087 72.908 -1.614 1.00 0.00 N ATOM 1470 CA SER A 96 10.113 74.157 -0.859 1.00 0.00 C ATOM 1471 C SER A 96 11.520 74.461 -0.383 1.00 0.00 C ATOM 1472 O SER A 96 11.707 75.113 0.644 1.00 0.00 O ATOM 1473 CB SER A 96 9.175 74.059 0.341 1.00 0.00 C ATOM 1474 OG SER A 96 7.882 73.668 -0.107 1.00 0.00 O ATOM 0 H SER A 96 10.745 72.200 -1.288 1.00 0.00 H new ATOM 0 HA SER A 96 9.781 74.964 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.559 73.335 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.120 75.019 0.854 1.00 0.00 H new ATOM 0 HG SER A 96 7.276 73.602 0.660 1.00 0.00 H new ATOM 1480 N LEU A 97 12.515 73.991 -1.130 1.00 0.00 N ATOM 1481 CA LEU A 97 13.906 74.223 -0.772 1.00 0.00 C ATOM 1482 C LEU A 97 14.353 73.265 0.322 1.00 0.00 C ATOM 1483 O LEU A 97 13.967 73.418 1.482 1.00 0.00 O ATOM 1484 CB LEU A 97 14.097 75.677 -0.300 1.00 0.00 C ATOM 1485 CG LEU A 97 15.502 76.165 -0.660 1.00 0.00 C ATOM 1486 CD1 LEU A 97 15.647 77.633 -0.267 1.00 0.00 C ATOM 1487 CD2 LEU A 97 16.540 75.325 0.092 1.00 0.00 C ATOM 0 H LEU A 97 12.382 73.449 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 97 14.517 74.047 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 97 13.350 76.320 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 97 13.946 75.741 0.778 1.00 0.00 H new ATOM 0 HG LEU A 97 15.661 76.062 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.648 77.981 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 97 14.908 78.228 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.490 77.740 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 97 17.542 75.671 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.383 75.428 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.435 74.278 -0.191 1.00 0.00 H new ATOM 1499 N LEU A 98 15.163 72.279 -0.042 1.00 0.00 N ATOM 1500 CA LEU A 98 15.642 71.307 0.922 1.00 0.00 C ATOM 1501 C LEU A 98 16.039 71.990 2.229 1.00 0.00 C ATOM 1502 O LEU A 98 16.392 73.167 2.246 1.00 0.00 O ATOM 1503 CB LEU A 98 16.864 70.567 0.341 1.00 0.00 C ATOM 1504 CG LEU A 98 16.394 69.411 -0.545 1.00 0.00 C ATOM 1505 CD1 LEU A 98 15.574 69.966 -1.708 1.00 0.00 C ATOM 1506 CD2 LEU A 98 17.610 68.660 -1.086 1.00 0.00 C ATOM 0 H LEU A 98 15.499 72.135 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 98 14.840 70.599 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 98 17.477 71.257 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 98 17.489 70.188 1.149 1.00 0.00 H new ATOM 0 HG LEU A 98 15.778 68.728 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.238 69.145 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.708 70.502 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.190 70.648 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.277 67.836 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.227 69.341 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.194 68.267 -0.254 1.00 0.00 H new ATOM 1518 N PRO A 99 15.976 71.268 3.316 1.00 0.00 N ATOM 1519 CA PRO A 99 16.325 71.805 4.663 1.00 0.00 C ATOM 1520 C PRO A 99 17.808 72.142 4.774 1.00 0.00 C ATOM 1521 O PRO A 99 18.598 71.812 3.891 1.00 0.00 O ATOM 1522 CB PRO A 99 15.937 70.671 5.624 1.00 0.00 C ATOM 1523 CG PRO A 99 15.970 69.430 4.794 1.00 0.00 C ATOM 1524 CD PRO A 99 15.565 69.854 3.388 1.00 0.00 C ATOM 0 HA PRO A 99 15.807 72.739 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.635 70.606 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.947 70.835 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.965 68.986 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.285 68.679 5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.065 69.253 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.493 69.740 3.229 1.00 0.00 H new ATOM 1532 N PHE A 100 18.182 72.791 5.874 1.00 0.00 N ATOM 1533 CA PHE A 100 19.582 73.151 6.105 1.00 0.00 C ATOM 1534 C PHE A 100 19.976 72.812 7.536 1.00 0.00 C ATOM 1535 O PHE A 100 19.607 73.518 8.472 1.00 0.00 O ATOM 1536 CB PHE A 100 19.778 74.639 5.848 1.00 0.00 C ATOM 1537 CG PHE A 100 21.244 74.974 5.966 1.00 0.00 C ATOM 1538 CD1 PHE A 100 22.138 74.553 4.972 1.00 0.00 C ATOM 1539 CD2 PHE A 100 21.713 75.705 7.063 1.00 0.00 C ATOM 1540 CE1 PHE A 100 23.498 74.863 5.077 1.00 0.00 C ATOM 1541 CE2 PHE A 100 23.073 76.016 7.169 1.00 0.00 C ATOM 1542 CZ PHE A 100 23.966 75.595 6.176 1.00 0.00 C ATOM 0 H PHE A 100 17.542 73.077 6.615 1.00 0.00 H new ATOM 0 HA PHE A 100 20.215 72.585 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 100 19.412 74.900 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 100 19.200 75.223 6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 100 21.777 73.989 4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 100 21.024 76.030 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 100 24.187 74.538 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 100 23.434 76.580 8.016 1.00 0.00 H new ATOM 0 HZ PHE A 100 25.016 75.835 6.257 1.00 0.00 H new ATOM 1552 N TYR A 101 20.729 71.726 7.703 1.00 0.00 N ATOM 1553 CA TYR A 101 21.152 71.302 9.033 1.00 0.00 C ATOM 1554 C TYR A 101 22.457 71.981 9.425 1.00 0.00 C ATOM 1555 O TYR A 101 23.468 71.849 8.737 1.00 0.00 O ATOM 1556 CB TYR A 101 21.351 69.784 9.049 1.00 0.00 C ATOM 1557 CG TYR A 101 20.070 69.103 8.627 1.00 0.00 C ATOM 1558 CD1 TYR A 101 19.048 68.891 9.557 1.00 0.00 C ATOM 1559 CD2 TYR A 101 19.906 68.684 7.299 1.00 0.00 C ATOM 1560 CE1 TYR A 101 17.860 68.262 9.162 1.00 0.00 C ATOM 1561 CE2 TYR A 101 18.721 68.055 6.904 1.00 0.00 C ATOM 1562 CZ TYR A 101 17.697 67.844 7.836 1.00 0.00 C ATOM 1563 OH TYR A 101 16.526 67.226 7.446 1.00 0.00 O ATOM 0 H TYR A 101 21.055 71.130 6.942 1.00 0.00 H new ATOM 0 HA TYR A 101 20.379 71.585 9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 101 22.162 69.506 8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 101 21.638 69.455 10.048 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.174 69.212 10.580 1.00 0.00 H new ATOM 0 HD2 TYR A 101 20.696 68.847 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.070 68.100 9.880 1.00 0.00 H new ATOM 0 HE2 TYR A 101 18.596 67.732 5.881 1.00 0.00 H new ATOM 0 HH TYR A 101 16.733 66.491 6.832 1.00 0.00 H new ATOM 1573 N ALA A 102 22.429 72.703 10.541 1.00 0.00 N ATOM 1574 CA ALA A 102 23.620 73.401 11.027 1.00 0.00 C ATOM 1575 C ALA A 102 23.806 73.138 12.513 1.00 0.00 C ATOM 1576 O ALA A 102 22.871 73.276 13.298 1.00 0.00 O ATOM 1577 CB ALA A 102 23.479 74.905 10.786 1.00 0.00 C ATOM 0 H ALA A 102 21.601 72.821 11.125 1.00 0.00 H new ATOM 0 HA ALA A 102 24.490 73.031 10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 102 24.370 75.417 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 102 23.364 75.093 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 102 22.603 75.278 11.317 1.00 0.00 H new ATOM 1583 N THR A 103 25.026 72.760 12.894 1.00 0.00 N ATOM 1584 CA THR A 103 25.334 72.479 14.294 1.00 0.00 C ATOM 1585 C THR A 103 26.371 73.461 14.817 1.00 0.00 C ATOM 1586 O THR A 103 27.445 73.610 14.235 1.00 0.00 O ATOM 1587 CB THR A 103 25.867 71.053 14.435 1.00 0.00 C ATOM 1588 OG1 THR A 103 24.887 70.137 13.965 1.00 0.00 O ATOM 1589 CG2 THR A 103 26.170 70.765 15.907 1.00 0.00 C ATOM 0 H THR A 103 25.813 72.642 12.256 1.00 0.00 H new ATOM 0 HA THR A 103 24.419 72.585 14.877 1.00 0.00 H new ATOM 0 HB THR A 103 26.780 70.944 13.849 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.226 69.222 14.052 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.550 69.748 16.008 1.00 0.00 H new ATOM 0 HG22 THR A 103 26.918 71.470 16.269 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.258 70.871 16.494 1.00 0.00 H new ATOM 1597 N ALA A 104 26.045 74.133 15.922 1.00 0.00 N ATOM 1598 CA ALA A 104 26.963 75.105 16.518 1.00 0.00 C ATOM 1599 C ALA A 104 27.464 74.606 17.866 1.00 0.00 C ATOM 1600 O ALA A 104 26.688 74.113 18.682 1.00 0.00 O ATOM 1601 CB ALA A 104 26.243 76.442 16.709 1.00 0.00 C ATOM 0 H ALA A 104 25.161 74.024 16.419 1.00 0.00 H new ATOM 0 HA ALA A 104 27.814 75.236 15.850 1.00 0.00 H new ATOM 0 HB1 ALA A 104 26.928 77.164 17.153 1.00 0.00 H new ATOM 0 HB2 ALA A 104 25.901 76.813 15.743 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.386 76.303 17.368 1.00 0.00 H new ATOM 1607 N THR A 105 28.774 74.734 18.100 1.00 0.00 N ATOM 1608 CA THR A 105 29.371 74.298 19.351 1.00 0.00 C ATOM 1609 C THR A 105 29.783 75.503 20.189 1.00 0.00 C ATOM 1610 O THR A 105 30.446 76.419 19.699 1.00 0.00 O ATOM 1611 CB THR A 105 30.595 73.441 19.054 1.00 0.00 C ATOM 1612 OG1 THR A 105 31.646 74.255 18.553 1.00 0.00 O ATOM 1613 CG2 THR A 105 30.240 72.366 18.023 1.00 0.00 C ATOM 0 H THR A 105 29.435 75.137 17.435 1.00 0.00 H new ATOM 0 HA THR A 105 28.639 73.715 19.910 1.00 0.00 H new ATOM 0 HB THR A 105 30.923 72.960 19.976 1.00 0.00 H new ATOM 0 HG1 THR A 105 31.438 75.198 18.721 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.120 71.757 17.815 1.00 0.00 H new ATOM 0 HG22 THR A 105 29.445 71.733 18.417 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.903 72.842 17.102 1.00 0.00 H new ATOM 1621 N SER A 106 29.381 75.497 21.456 1.00 0.00 N ATOM 1622 CA SER A 106 29.711 76.595 22.354 1.00 0.00 C ATOM 1623 C SER A 106 29.551 76.160 23.800 1.00 0.00 C ATOM 1624 O SER A 106 28.937 75.131 24.083 1.00 0.00 O ATOM 1625 CB SER A 106 28.803 77.791 22.076 1.00 0.00 C ATOM 1626 OG SER A 106 27.445 77.379 22.159 1.00 0.00 O ATOM 0 H SER A 106 28.831 74.750 21.880 1.00 0.00 H new ATOM 0 HA SER A 106 30.748 76.883 22.182 1.00 0.00 H new ATOM 0 HB2 SER A 106 28.999 78.586 22.796 1.00 0.00 H new ATOM 0 HB3 SER A 106 29.012 78.198 21.087 1.00 0.00 H new ATOM 0 HG SER A 106 26.859 78.145 21.983 1.00 0.00 H new ATOM 1632 N GLY A 107 30.101 76.953 24.719 1.00 0.00 N ATOM 1633 CA GLY A 107 30.009 76.645 26.142 1.00 0.00 C ATOM 1634 C GLY A 107 31.392 76.590 26.779 1.00 0.00 C ATOM 1635 O GLY A 107 32.405 76.777 26.107 1.00 0.00 O ATOM 0 H GLY A 107 30.612 77.809 24.503 1.00 0.00 H new ATOM 0 HA2 GLY A 107 29.404 77.401 26.643 1.00 0.00 H new ATOM 0 HA3 GLY A 107 29.503 75.689 26.279 1.00 0.00 H new ATOM 1639 N PRO A 108 31.445 76.334 28.055 1.00 0.00 N ATOM 1640 CA PRO A 108 32.731 76.244 28.809 1.00 0.00 C ATOM 1641 C PRO A 108 33.636 75.137 28.274 1.00 0.00 C ATOM 1642 O PRO A 108 33.158 74.130 27.748 1.00 0.00 O ATOM 1643 CB PRO A 108 32.289 75.940 30.256 1.00 0.00 C ATOM 1644 CG PRO A 108 30.897 75.420 30.142 1.00 0.00 C ATOM 1645 CD PRO A 108 30.285 76.104 28.932 1.00 0.00 C ATOM 0 HA PRO A 108 33.319 77.158 28.722 1.00 0.00 H new ATOM 0 HB2 PRO A 108 32.946 75.206 30.722 1.00 0.00 H new ATOM 0 HB3 PRO A 108 32.324 76.837 30.875 1.00 0.00 H new ATOM 0 HG2 PRO A 108 30.895 74.337 30.019 1.00 0.00 H new ATOM 0 HG3 PRO A 108 30.325 75.639 31.043 1.00 0.00 H new ATOM 0 HD2 PRO A 108 29.534 75.477 28.451 1.00 0.00 H new ATOM 0 HD3 PRO A 108 29.793 77.038 29.203 1.00 0.00 H new ATOM 1653 N SER A 109 34.942 75.326 28.424 1.00 0.00 N ATOM 1654 CA SER A 109 35.903 74.335 27.963 1.00 0.00 C ATOM 1655 C SER A 109 35.732 73.034 28.740 1.00 0.00 C ATOM 1656 O SER A 109 36.205 71.980 28.316 1.00 0.00 O ATOM 1657 CB SER A 109 37.327 74.858 28.151 1.00 0.00 C ATOM 1658 OG SER A 109 37.548 75.140 29.529 1.00 0.00 O ATOM 0 H SER A 109 35.356 76.151 28.858 1.00 0.00 H new ATOM 0 HA SER A 109 35.726 74.145 26.904 1.00 0.00 H new ATOM 0 HB2 SER A 109 38.047 74.119 27.799 1.00 0.00 H new ATOM 0 HB3 SER A 109 37.477 75.758 27.555 1.00 0.00 H new ATOM 0 HG SER A 109 38.461 75.474 29.652 1.00 0.00 H new ATOM 1664 N HIS A 110 35.050 73.113 29.884 1.00 0.00 N ATOM 1665 CA HIS A 110 34.820 71.931 30.712 1.00 0.00 C ATOM 1666 C HIS A 110 33.491 71.286 30.354 1.00 0.00 C ATOM 1667 O HIS A 110 33.371 70.060 30.340 1.00 0.00 O ATOM 1668 CB HIS A 110 34.819 72.317 32.188 1.00 0.00 C ATOM 1669 CG HIS A 110 36.220 72.652 32.620 1.00 0.00 C ATOM 1670 ND1 HIS A 110 36.799 73.883 32.351 1.00 0.00 N ATOM 1671 CD2 HIS A 110 37.171 71.930 33.295 1.00 0.00 C ATOM 1672 CE1 HIS A 110 38.044 73.864 32.861 1.00 0.00 C ATOM 1673 NE2 HIS A 110 38.323 72.697 33.447 1.00 0.00 N ATOM 0 H HIS A 110 34.651 73.975 30.255 1.00 0.00 H new ATOM 0 HA HIS A 110 35.623 71.218 30.527 1.00 0.00 H new ATOM 0 HB2 HIS A 110 34.163 73.172 32.351 1.00 0.00 H new ATOM 0 HB3 HIS A 110 34.428 71.496 32.789 1.00 0.00 H new ATOM 0 HD2 HIS A 110 37.045 70.919 33.654 1.00 0.00 H new ATOM 0 HE1 HIS A 110 38.734 74.693 32.803 1.00 0.00 H new ATOM 0 HE2 HIS A 110 39.192 72.426 33.907 1.00 0.00 H new ATOM 1681 N ALA A 111 32.491 72.120 30.056 1.00 0.00 N ATOM 1682 CA ALA A 111 31.163 71.623 29.686 1.00 0.00 C ATOM 1683 C ALA A 111 30.740 72.193 28.327 1.00 0.00 C ATOM 1684 O ALA A 111 29.964 73.143 28.249 1.00 0.00 O ATOM 1685 CB ALA A 111 30.141 72.000 30.779 1.00 0.00 C ATOM 0 H ALA A 111 32.575 73.137 30.063 1.00 0.00 H new ATOM 0 HA ALA A 111 31.199 70.537 29.601 1.00 0.00 H new ATOM 0 HB1 ALA A 111 29.155 71.628 30.499 1.00 0.00 H new ATOM 0 HB2 ALA A 111 30.441 71.554 31.727 1.00 0.00 H new ATOM 0 HB3 ALA A 111 30.104 73.084 30.884 1.00 0.00 H new ATOM 1691 N PRO A 112 31.228 71.629 27.259 1.00 0.00 N ATOM 1692 CA PRO A 112 30.891 72.092 25.890 1.00 0.00 C ATOM 1693 C PRO A 112 29.572 71.513 25.391 1.00 0.00 C ATOM 1694 O PRO A 112 29.389 70.299 25.364 1.00 0.00 O ATOM 1695 CB PRO A 112 32.064 71.584 25.048 1.00 0.00 C ATOM 1696 CG PRO A 112 32.579 70.366 25.765 1.00 0.00 C ATOM 1697 CD PRO A 112 32.160 70.494 27.240 1.00 0.00 C ATOM 0 HA PRO A 112 30.756 73.173 25.842 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.742 71.337 24.036 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.840 72.344 24.959 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.166 69.458 25.325 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.663 70.298 25.678 1.00 0.00 H new ATOM 0 HD2 PRO A 112 31.682 69.582 27.598 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.021 70.676 27.883 1.00 0.00 H new ATOM 1705 N THR A 113 28.653 72.392 24.996 1.00 0.00 N ATOM 1706 CA THR A 113 27.349 71.963 24.495 1.00 0.00 C ATOM 1707 C THR A 113 27.248 72.226 23.004 1.00 0.00 C ATOM 1708 O THR A 113 28.093 72.908 22.424 1.00 0.00 O ATOM 1709 CB THR A 113 26.233 72.706 25.235 1.00 0.00 C ATOM 1710 OG1 THR A 113 26.064 73.993 24.663 1.00 0.00 O ATOM 1711 CG2 THR A 113 26.603 72.846 26.714 1.00 0.00 C ATOM 0 H THR A 113 28.787 73.403 25.013 1.00 0.00 H new ATOM 0 HA THR A 113 27.240 70.893 24.671 1.00 0.00 H new ATOM 0 HB THR A 113 25.303 72.145 25.148 1.00 0.00 H new ATOM 0 HG1 THR A 113 26.942 74.402 24.513 1.00 0.00 H new ATOM 0 HG21 THR A 113 25.808 73.375 27.239 1.00 0.00 H new ATOM 0 HG22 THR A 113 26.732 71.856 27.152 1.00 0.00 H new ATOM 0 HG23 THR A 113 27.533 73.407 26.805 1.00 0.00 H new ATOM 1719 N PHE A 114 26.207 71.681 22.385 1.00 0.00 N ATOM 1720 CA PHE A 114 26.002 71.861 20.949 1.00 0.00 C ATOM 1721 C PHE A 114 24.535 72.157 20.653 1.00 0.00 C ATOM 1722 O PHE A 114 23.643 71.715 21.376 1.00 0.00 O ATOM 1723 CB PHE A 114 26.439 70.591 20.204 1.00 0.00 C ATOM 1724 CG PHE A 114 27.527 69.903 20.991 1.00 0.00 C ATOM 1725 CD1 PHE A 114 28.825 70.424 20.999 1.00 0.00 C ATOM 1726 CD2 PHE A 114 27.236 68.749 21.721 1.00 0.00 C ATOM 1727 CE1 PHE A 114 29.833 69.785 21.728 1.00 0.00 C ATOM 1728 CE2 PHE A 114 28.240 68.112 22.449 1.00 0.00 C ATOM 1729 CZ PHE A 114 29.542 68.625 22.453 1.00 0.00 C ATOM 0 H PHE A 114 25.496 71.115 22.849 1.00 0.00 H new ATOM 0 HA PHE A 114 26.602 72.706 20.610 1.00 0.00 H new ATOM 0 HB2 PHE A 114 25.589 69.921 20.073 1.00 0.00 H new ATOM 0 HB3 PHE A 114 26.800 70.846 19.208 1.00 0.00 H new ATOM 0 HD1 PHE A 114 29.049 71.321 20.441 1.00 0.00 H new ATOM 0 HD2 PHE A 114 26.233 68.350 21.722 1.00 0.00 H new ATOM 0 HE1 PHE A 114 30.835 70.187 21.731 1.00 0.00 H new ATOM 0 HE2 PHE A 114 28.012 67.219 23.012 1.00 0.00 H new ATOM 0 HZ PHE A 114 30.319 68.127 23.014 1.00 0.00 H new ATOM 1739 N THR A 115 24.291 72.898 19.575 1.00 0.00 N ATOM 1740 CA THR A 115 22.925 73.242 19.180 1.00 0.00 C ATOM 1741 C THR A 115 22.727 72.996 17.694 1.00 0.00 C ATOM 1742 O THR A 115 23.536 73.428 16.873 1.00 0.00 O ATOM 1743 CB THR A 115 22.647 74.708 19.504 1.00 0.00 C ATOM 1744 OG1 THR A 115 22.878 74.932 20.887 1.00 0.00 O ATOM 1745 CG2 THR A 115 21.194 75.034 19.166 1.00 0.00 C ATOM 0 H THR A 115 25.016 73.271 18.962 1.00 0.00 H new ATOM 0 HA THR A 115 22.230 72.612 19.735 1.00 0.00 H new ATOM 0 HB THR A 115 23.306 75.348 18.917 1.00 0.00 H new ATOM 0 HG1 THR A 115 22.702 75.872 21.100 1.00 0.00 H new ATOM 0 HG21 THR A 115 20.993 76.080 19.396 1.00 0.00 H new ATOM 0 HG22 THR A 115 21.018 74.856 18.105 1.00 0.00 H new ATOM 0 HG23 THR A 115 20.532 74.399 19.755 1.00 0.00 H new ATOM 1753 N SER A 116 21.642 72.308 17.347 1.00 0.00 N ATOM 1754 CA SER A 116 21.340 72.013 15.948 1.00 0.00 C ATOM 1755 C SER A 116 20.085 72.753 15.507 1.00 0.00 C ATOM 1756 O SER A 116 19.118 72.862 16.261 1.00 0.00 O ATOM 1757 CB SER A 116 21.136 70.512 15.765 1.00 0.00 C ATOM 1758 OG SER A 116 20.260 70.031 16.778 1.00 0.00 O ATOM 0 H SER A 116 20.959 71.945 18.012 1.00 0.00 H new ATOM 0 HA SER A 116 22.179 72.343 15.336 1.00 0.00 H new ATOM 0 HB2 SER A 116 20.718 70.307 14.779 1.00 0.00 H new ATOM 0 HB3 SER A 116 22.093 69.994 15.819 1.00 0.00 H new ATOM 0 HG SER A 116 19.378 70.445 16.671 1.00 0.00 H new ATOM 1764 N THR A 117 20.106 73.270 14.283 1.00 0.00 N ATOM 1765 CA THR A 117 18.963 74.008 13.747 1.00 0.00 C ATOM 1766 C THR A 117 18.685 73.589 12.311 1.00 0.00 C ATOM 1767 O THR A 117 19.603 73.245 11.567 1.00 0.00 O ATOM 1768 CB THR A 117 19.245 75.512 13.793 1.00 0.00 C ATOM 1769 OG1 THR A 117 19.375 75.924 15.146 1.00 0.00 O ATOM 1770 CG2 THR A 117 18.094 76.269 13.134 1.00 0.00 C ATOM 0 H THR A 117 20.897 73.193 13.644 1.00 0.00 H new ATOM 0 HA THR A 117 18.089 73.782 14.358 1.00 0.00 H new ATOM 0 HB THR A 117 20.169 75.727 13.257 1.00 0.00 H new ATOM 0 HG1 THR A 117 19.557 76.886 15.179 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.296 77.340 13.168 1.00 0.00 H new ATOM 0 HG22 THR A 117 17.996 75.951 12.096 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.167 76.058 13.667 1.00 0.00 H new ATOM 1778 N VAL A 118 17.411 73.620 11.928 1.00 0.00 N ATOM 1779 CA VAL A 118 17.015 73.243 10.572 1.00 0.00 C ATOM 1780 C VAL A 118 16.146 74.323 9.941 1.00 0.00 C ATOM 1781 O VAL A 118 15.100 74.682 10.478 1.00 0.00 O ATOM 1782 CB VAL A 118 16.237 71.924 10.602 1.00 0.00 C ATOM 1783 CG1 VAL A 118 14.991 72.080 11.472 1.00 0.00 C ATOM 1784 CG2 VAL A 118 15.827 71.548 9.176 1.00 0.00 C ATOM 0 H VAL A 118 16.639 73.900 12.533 1.00 0.00 H new ATOM 0 HA VAL A 118 17.920 73.125 9.975 1.00 0.00 H new ATOM 0 HB VAL A 118 16.867 71.139 11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.440 71.140 11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.287 72.348 12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.356 72.864 11.060 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.273 70.610 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.197 72.334 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.719 71.432 8.560 1.00 0.00 H new ATOM 1794 N GLU A 119 16.592 74.853 8.807 1.00 0.00 N ATOM 1795 CA GLU A 119 15.846 75.900 8.108 1.00 0.00 C ATOM 1796 C GLU A 119 15.254 75.361 6.821 1.00 0.00 C ATOM 1797 O GLU A 119 15.975 75.027 5.883 1.00 0.00 O ATOM 1798 CB GLU A 119 16.772 77.076 7.787 1.00 0.00 C ATOM 1799 CG GLU A 119 15.959 78.204 7.148 1.00 0.00 C ATOM 1800 CD GLU A 119 16.857 79.405 6.876 1.00 0.00 C ATOM 1801 OE1 GLU A 119 17.931 79.207 6.331 1.00 0.00 O ATOM 1802 OE2 GLU A 119 16.456 80.506 7.217 1.00 0.00 O1- ATOM 0 H GLU A 119 17.462 74.578 8.352 1.00 0.00 H new ATOM 0 HA GLU A 119 15.038 76.238 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.255 77.432 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.564 76.755 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.510 77.857 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.141 78.493 7.808 1.00 0.00 H new ATOM 1809 N PHE A 120 13.925 75.266 6.794 1.00 0.00 N ATOM 1810 CA PHE A 120 13.226 74.756 5.613 1.00 0.00 C ATOM 1811 C PHE A 120 11.987 75.585 5.328 1.00 0.00 C ATOM 1812 O PHE A 120 11.195 75.859 6.228 1.00 0.00 O ATOM 1813 CB PHE A 120 12.827 73.292 5.825 1.00 0.00 C ATOM 1814 CG PHE A 120 11.688 73.212 6.815 1.00 0.00 C ATOM 1815 CD1 PHE A 120 11.953 73.218 8.186 1.00 0.00 C ATOM 1816 CD2 PHE A 120 10.371 73.140 6.356 1.00 0.00 C ATOM 1817 CE1 PHE A 120 10.897 73.151 9.099 1.00 0.00 C ATOM 1818 CE2 PHE A 120 9.313 73.073 7.269 1.00 0.00 C ATOM 1819 CZ PHE A 120 9.577 73.078 8.643 1.00 0.00 C ATOM 0 H PHE A 120 13.315 75.532 7.567 1.00 0.00 H new ATOM 0 HA PHE A 120 13.901 74.825 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 120 12.529 72.845 4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.681 72.722 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 120 12.972 73.274 8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 120 10.169 73.136 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.101 73.156 10.160 1.00 0.00 H new ATOM 0 HE2 PHE A 120 8.295 73.018 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 120 8.763 73.026 9.350 1.00 0.00 H new ATOM 1829 N ALA A 121 11.825 75.999 4.074 1.00 0.00 N ATOM 1830 CA ALA A 121 10.673 76.804 3.685 1.00 0.00 C ATOM 1831 C ALA A 121 10.880 78.262 4.082 1.00 0.00 C ATOM 1832 O ALA A 121 9.931 79.046 4.113 1.00 0.00 O ATOM 1833 CB ALA A 121 9.398 76.260 4.345 1.00 0.00 C ATOM 0 H ALA A 121 12.473 75.791 3.314 1.00 0.00 H new ATOM 0 HA ALA A 121 10.565 76.748 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.545 76.870 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.236 75.230 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.507 76.294 5.429 1.00 0.00 H new ATOM 1839 N GLY A 122 12.121 78.616 4.397 1.00 0.00 N ATOM 1840 CA GLY A 122 12.439 79.980 4.799 1.00 0.00 C ATOM 1841 C GLY A 122 12.224 80.166 6.292 1.00 0.00 C ATOM 1842 O GLY A 122 12.490 81.239 6.834 1.00 0.00 O ATOM 0 H GLY A 122 12.919 77.981 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 122 13.474 80.207 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 122 11.814 80.682 4.247 1.00 0.00 H new ATOM 1846 N LYS A 123 11.736 79.118 6.964 1.00 0.00 N ATOM 1847 CA LYS A 123 11.485 79.191 8.400 1.00 0.00 C ATOM 1848 C LYS A 123 12.517 78.375 9.157 1.00 0.00 C ATOM 1849 O LYS A 123 12.880 77.275 8.745 1.00 0.00 O ATOM 1850 CB LYS A 123 10.086 78.656 8.705 1.00 0.00 C ATOM 1851 CG LYS A 123 9.033 79.670 8.251 1.00 0.00 C ATOM 1852 CD LYS A 123 7.629 79.101 8.505 1.00 0.00 C ATOM 1853 CE LYS A 123 7.245 79.302 9.974 1.00 0.00 C ATOM 1854 NZ LYS A 123 5.833 78.883 10.182 1.00 0.00 N1+ ATOM 0 H LYS A 123 11.510 78.219 6.538 1.00 0.00 H new ATOM 0 HA LYS A 123 11.555 80.232 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.931 77.705 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.984 78.466 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.160 80.608 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.160 79.893 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.904 79.596 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.606 78.040 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.906 78.720 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.369 80.348 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.574 79.020 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.208 79.457 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.728 77.879 9.932 1.00 0.00 H new ATOM 1868 N VAL A 124 12.997 78.928 10.265 1.00 0.00 N ATOM 1869 CA VAL A 124 14.002 78.249 11.074 1.00 0.00 C ATOM 1870 C VAL A 124 13.348 77.498 12.229 1.00 0.00 C ATOM 1871 O VAL A 124 12.232 77.817 12.636 1.00 0.00 O ATOM 1872 CB VAL A 124 15.002 79.270 11.625 1.00 0.00 C ATOM 1873 CG1 VAL A 124 14.300 80.181 12.634 1.00 0.00 C ATOM 1874 CG2 VAL A 124 16.150 78.538 12.318 1.00 0.00 C ATOM 0 H VAL A 124 12.709 79.839 10.622 1.00 0.00 H new ATOM 0 HA VAL A 124 14.525 77.530 10.443 1.00 0.00 H new ATOM 0 HB VAL A 124 15.395 79.870 10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 124 15.012 80.907 13.026 1.00 0.00 H new ATOM 0 HG12 VAL A 124 13.481 80.705 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 124 13.906 79.580 13.454 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.861 79.265 12.710 1.00 0.00 H new ATOM 0 HG22 VAL A 124 15.756 77.937 13.138 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.653 77.889 11.601 1.00 0.00 H new ATOM 1884 N PHE A 125 14.054 76.501 12.754 1.00 0.00 N ATOM 1885 CA PHE A 125 13.539 75.708 13.872 1.00 0.00 C ATOM 1886 C PHE A 125 14.677 75.254 14.772 1.00 0.00 C ATOM 1887 O PHE A 125 15.395 74.306 14.456 1.00 0.00 O ATOM 1888 CB PHE A 125 12.789 74.495 13.330 1.00 0.00 C ATOM 1889 CG PHE A 125 11.507 74.945 12.673 1.00 0.00 C ATOM 1890 CD1 PHE A 125 11.520 75.403 11.352 1.00 0.00 C ATOM 1891 CD2 PHE A 125 10.303 74.899 13.383 1.00 0.00 C ATOM 1892 CE1 PHE A 125 10.330 75.816 10.745 1.00 0.00 C ATOM 1893 CE2 PHE A 125 9.113 75.313 12.774 1.00 0.00 C ATOM 1894 CZ PHE A 125 9.127 75.771 11.454 1.00 0.00 C ATOM 0 H PHE A 125 14.979 76.222 12.428 1.00 0.00 H new ATOM 0 HA PHE A 125 12.859 76.325 14.460 1.00 0.00 H new ATOM 0 HB2 PHE A 125 13.411 73.962 12.611 1.00 0.00 H new ATOM 0 HB3 PHE A 125 12.570 73.799 14.139 1.00 0.00 H new ATOM 0 HD1 PHE A 125 12.448 75.438 10.801 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.292 74.543 14.403 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.341 76.171 9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.184 75.279 13.324 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.209 76.090 10.982 1.00 0.00 H new ATOM 1904 N SER A 126 14.840 75.941 15.900 1.00 0.00 N ATOM 1905 CA SER A 126 15.897 75.605 16.845 1.00 0.00 C ATOM 1906 C SER A 126 15.451 74.478 17.766 1.00 0.00 C ATOM 1907 O SER A 126 14.293 74.416 18.173 1.00 0.00 O ATOM 1908 CB SER A 126 16.263 76.833 17.678 1.00 0.00 C ATOM 1909 OG SER A 126 16.401 77.957 16.820 1.00 0.00 O ATOM 0 H SER A 126 14.256 76.729 16.179 1.00 0.00 H new ATOM 0 HA SER A 126 16.771 75.276 16.283 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.492 77.023 18.425 1.00 0.00 H new ATOM 0 HB3 SER A 126 17.193 76.657 18.218 1.00 0.00 H new ATOM 0 HG SER A 126 16.634 78.747 17.351 1.00 0.00 H new ATOM 1915 N GLY A 127 16.381 73.588 18.100 1.00 0.00 N ATOM 1916 CA GLY A 127 16.077 72.464 18.987 1.00 0.00 C ATOM 1917 C GLY A 127 16.557 72.752 20.403 1.00 0.00 C ATOM 1918 O GLY A 127 16.925 73.883 20.724 1.00 0.00 O ATOM 0 H GLY A 127 17.347 73.620 17.773 1.00 0.00 H new ATOM 0 HA2 GLY A 127 15.003 72.278 18.992 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.555 71.559 18.612 1.00 0.00 H new ATOM 1922 N GLU A 128 16.553 71.724 21.251 1.00 0.00 N ATOM 1923 CA GLU A 128 16.989 71.870 22.624 1.00 0.00 C ATOM 1924 C GLU A 128 18.478 71.585 22.752 1.00 0.00 C ATOM 1925 O GLU A 128 18.965 70.546 22.312 1.00 0.00 O ATOM 1926 CB GLU A 128 16.205 70.919 23.530 1.00 0.00 C ATOM 1927 CG GLU A 128 16.899 70.792 24.882 1.00 0.00 C ATOM 1928 CD GLU A 128 15.978 70.127 25.894 1.00 0.00 C ATOM 1929 OE1 GLU A 128 14.986 69.553 25.478 1.00 0.00 O ATOM 1930 OE2 GLU A 128 16.275 70.204 27.077 1.00 0.00 O1- ATOM 0 H GLU A 128 16.250 70.782 21.003 1.00 0.00 H new ATOM 0 HA GLU A 128 16.802 72.899 22.931 1.00 0.00 H new ATOM 0 HB2 GLU A 128 15.189 71.290 23.667 1.00 0.00 H new ATOM 0 HB3 GLU A 128 16.126 69.939 23.060 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.813 70.208 24.775 1.00 0.00 H new ATOM 0 HG3 GLU A 128 17.192 71.779 25.241 1.00 0.00 H new ATOM 1937 N GLU A 129 19.188 72.513 23.361 1.00 0.00 N ATOM 1938 CA GLU A 129 20.630 72.361 23.556 1.00 0.00 C ATOM 1939 C GLU A 129 20.924 71.140 24.428 1.00 0.00 C ATOM 1940 O GLU A 129 20.095 70.738 25.246 1.00 0.00 O ATOM 1941 CB GLU A 129 21.217 73.610 24.220 1.00 0.00 C ATOM 1942 CG GLU A 129 20.424 73.948 25.488 1.00 0.00 C ATOM 1943 CD GLU A 129 19.127 74.662 25.121 1.00 0.00 C ATOM 1944 OE1 GLU A 129 19.168 75.502 24.237 1.00 0.00 O ATOM 1945 OE2 GLU A 129 18.113 74.350 25.719 1.00 0.00 O1- ATOM 0 H GLU A 129 18.799 73.380 23.731 1.00 0.00 H new ATOM 0 HA GLU A 129 21.091 72.225 22.578 1.00 0.00 H new ATOM 0 HB2 GLU A 129 22.265 73.442 24.470 1.00 0.00 H new ATOM 0 HB3 GLU A 129 21.186 74.450 23.526 1.00 0.00 H new ATOM 0 HG2 GLU A 129 20.202 73.036 26.041 1.00 0.00 H new ATOM 0 HG3 GLU A 129 21.023 74.580 26.143 1.00 0.00 H new ATOM 1952 N ALA A 130 22.103 70.559 24.246 1.00 0.00 N ATOM 1953 CA ALA A 130 22.492 69.388 25.023 1.00 0.00 C ATOM 1954 C ALA A 130 23.961 69.050 24.785 1.00 0.00 C ATOM 1955 O ALA A 130 24.556 69.487 23.801 1.00 0.00 O ATOM 1956 CB ALA A 130 21.620 68.194 24.633 1.00 0.00 C ATOM 0 H ALA A 130 22.801 70.876 23.573 1.00 0.00 H new ATOM 0 HA ALA A 130 22.351 69.611 26.081 1.00 0.00 H new ATOM 0 HB1 ALA A 130 21.915 67.322 25.217 1.00 0.00 H new ATOM 0 HB2 ALA A 130 20.574 68.427 24.832 1.00 0.00 H new ATOM 0 HB3 ALA A 130 21.749 67.981 23.572 1.00 0.00 H new ATOM 1962 N LYS A 131 24.532 68.261 25.686 1.00 0.00 N ATOM 1963 CA LYS A 131 25.929 67.852 25.561 1.00 0.00 C ATOM 1964 C LYS A 131 26.053 66.695 24.581 1.00 0.00 C ATOM 1965 O LYS A 131 26.914 65.828 24.736 1.00 0.00 O ATOM 1966 CB LYS A 131 26.481 67.430 26.924 1.00 0.00 C ATOM 1967 CG LYS A 131 26.720 68.670 27.781 1.00 0.00 C ATOM 1968 CD LYS A 131 27.234 68.245 29.159 1.00 0.00 C ATOM 1969 CE LYS A 131 27.316 69.467 30.074 1.00 0.00 C ATOM 1970 NZ LYS A 131 28.244 70.472 29.485 1.00 0.00 N1+ ATOM 0 H LYS A 131 24.054 67.892 26.508 1.00 0.00 H new ATOM 0 HA LYS A 131 26.505 68.699 25.189 1.00 0.00 H new ATOM 0 HB2 LYS A 131 25.779 66.761 27.421 1.00 0.00 H new ATOM 0 HB3 LYS A 131 27.412 66.878 26.796 1.00 0.00 H new ATOM 0 HG2 LYS A 131 27.444 69.326 27.297 1.00 0.00 H new ATOM 0 HG3 LYS A 131 25.795 69.237 27.885 1.00 0.00 H new ATOM 0 HD2 LYS A 131 26.569 67.498 29.592 1.00 0.00 H new ATOM 0 HD3 LYS A 131 28.216 67.782 29.065 1.00 0.00 H new ATOM 0 HE2 LYS A 131 26.326 69.904 30.204 1.00 0.00 H new ATOM 0 HE3 LYS A 131 27.665 69.170 31.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 28.338 71.280 30.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 29.177 70.038 29.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 27.866 70.801 28.574 1.00 0.00 H new ATOM 1984 N THR A 132 25.195 66.688 23.567 1.00 0.00 N ATOM 1985 CA THR A 132 25.224 65.629 22.561 1.00 0.00 C ATOM 1986 C THR A 132 24.598 66.115 21.255 1.00 0.00 C ATOM 1987 O THR A 132 23.703 66.958 21.260 1.00 0.00 O ATOM 1988 CB THR A 132 24.469 64.404 23.077 1.00 0.00 C ATOM 1989 OG1 THR A 132 24.458 63.398 22.075 1.00 0.00 O ATOM 1990 CG2 THR A 132 23.035 64.801 23.420 1.00 0.00 C ATOM 0 H THR A 132 24.476 67.396 23.419 1.00 0.00 H new ATOM 0 HA THR A 132 26.262 65.357 22.369 1.00 0.00 H new ATOM 0 HB THR A 132 24.963 64.019 23.969 1.00 0.00 H new ATOM 0 HG1 THR A 132 23.976 62.612 22.406 1.00 0.00 H new ATOM 0 HG21 THR A 132 22.494 63.929 23.788 1.00 0.00 H new ATOM 0 HG22 THR A 132 23.045 65.573 24.189 1.00 0.00 H new ATOM 0 HG23 THR A 132 22.540 65.184 22.528 1.00 0.00 H new ATOM 1998 N LYS A 133 25.072 65.569 20.141 1.00 0.00 N ATOM 1999 CA LYS A 133 24.548 65.947 18.833 1.00 0.00 C ATOM 2000 C LYS A 133 23.261 65.191 18.524 1.00 0.00 C ATOM 2001 O LYS A 133 22.418 65.664 17.760 1.00 0.00 O ATOM 2002 CB LYS A 133 25.587 65.655 17.753 1.00 0.00 C ATOM 2003 CG LYS A 133 25.127 66.255 16.422 1.00 0.00 C ATOM 2004 CD LYS A 133 26.102 65.852 15.311 1.00 0.00 C ATOM 2005 CE LYS A 133 27.446 66.556 15.513 1.00 0.00 C ATOM 2006 NZ LYS A 133 28.248 66.464 14.264 1.00 0.00 N1+ ATOM 0 H LYS A 133 25.813 64.868 20.116 1.00 0.00 H new ATOM 0 HA LYS A 133 24.328 67.014 18.848 1.00 0.00 H new ATOM 0 HB2 LYS A 133 26.551 66.075 18.039 1.00 0.00 H new ATOM 0 HB3 LYS A 133 25.726 64.579 17.650 1.00 0.00 H new ATOM 0 HG2 LYS A 133 24.123 65.906 16.182 1.00 0.00 H new ATOM 0 HG3 LYS A 133 25.077 67.341 16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 133 26.244 64.771 15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 133 25.687 66.115 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 133 27.285 67.601 15.778 1.00 0.00 H new ATOM 0 HE3 LYS A 133 27.988 66.097 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 29.161 66.942 14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 28.413 65.464 14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 27.732 66.921 13.485 1.00 0.00 H new ATOM 2020 N LYS A 134 23.126 64.001 19.098 1.00 0.00 N ATOM 2021 CA LYS A 134 21.949 63.180 18.848 1.00 0.00 C ATOM 2022 C LYS A 134 20.700 63.837 19.410 1.00 0.00 C ATOM 2023 O LYS A 134 19.724 64.048 18.689 1.00 0.00 O ATOM 2024 CB LYS A 134 22.140 61.807 19.502 1.00 0.00 C ATOM 2025 CG LYS A 134 23.415 61.139 18.968 1.00 0.00 C ATOM 2026 CD LYS A 134 23.153 60.540 17.584 1.00 0.00 C ATOM 2027 CE LYS A 134 24.398 59.800 17.105 1.00 0.00 C ATOM 2028 NZ LYS A 134 24.131 59.204 15.766 1.00 0.00 N1+ ATOM 0 H LYS A 134 23.809 63.587 19.733 1.00 0.00 H new ATOM 0 HA LYS A 134 21.826 63.068 17.771 1.00 0.00 H new ATOM 0 HB2 LYS A 134 22.204 61.917 20.584 1.00 0.00 H new ATOM 0 HB3 LYS A 134 21.276 61.175 19.297 1.00 0.00 H new ATOM 0 HG2 LYS A 134 24.221 61.870 18.910 1.00 0.00 H new ATOM 0 HG3 LYS A 134 23.741 60.358 19.655 1.00 0.00 H new ATOM 0 HD2 LYS A 134 22.305 59.857 17.627 1.00 0.00 H new ATOM 0 HD3 LYS A 134 22.892 61.329 16.878 1.00 0.00 H new ATOM 0 HE2 LYS A 134 25.244 60.486 17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 134 24.667 59.019 17.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 24.978 58.698 15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 23.335 58.538 15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 23.893 59.959 15.091 1.00 0.00 H new ATOM 2042 N LEU A 135 20.726 64.156 20.699 1.00 0.00 N ATOM 2043 CA LEU A 135 19.585 64.781 21.335 1.00 0.00 C ATOM 2044 C LEU A 135 19.314 66.156 20.737 1.00 0.00 C ATOM 2045 O LEU A 135 18.162 66.534 20.525 1.00 0.00 O ATOM 2046 CB LEU A 135 19.846 64.920 22.844 1.00 0.00 C ATOM 2047 CG LEU A 135 18.509 64.964 23.604 1.00 0.00 C ATOM 2048 CD1 LEU A 135 18.022 63.527 23.857 1.00 0.00 C ATOM 2049 CD2 LEU A 135 18.699 65.687 24.940 1.00 0.00 C ATOM 0 H LEU A 135 21.521 63.991 21.316 1.00 0.00 H new ATOM 0 HA LEU A 135 18.711 64.152 21.167 1.00 0.00 H new ATOM 0 HB2 LEU A 135 20.448 64.082 23.197 1.00 0.00 H new ATOM 0 HB3 LEU A 135 20.417 65.827 23.041 1.00 0.00 H new ATOM 0 HG LEU A 135 17.769 65.500 23.010 1.00 0.00 H new ATOM 0 HD11 LEU A 135 17.075 63.553 24.395 1.00 0.00 H new ATOM 0 HD12 LEU A 135 17.884 63.017 22.904 1.00 0.00 H new ATOM 0 HD13 LEU A 135 18.762 62.991 24.451 1.00 0.00 H new ATOM 0 HD21 LEU A 135 17.750 65.717 25.476 1.00 0.00 H new ATOM 0 HD22 LEU A 135 19.438 65.155 25.540 1.00 0.00 H new ATOM 0 HD23 LEU A 135 19.044 66.705 24.757 1.00 0.00 H new ATOM 2061 N ALA A 136 20.382 66.904 20.483 1.00 0.00 N ATOM 2062 CA ALA A 136 20.243 68.243 19.927 1.00 0.00 C ATOM 2063 C ALA A 136 19.425 68.206 18.640 1.00 0.00 C ATOM 2064 O ALA A 136 18.429 68.918 18.508 1.00 0.00 O ATOM 2065 CB ALA A 136 21.629 68.825 19.628 1.00 0.00 C ATOM 0 H ALA A 136 21.344 66.609 20.651 1.00 0.00 H new ATOM 0 HA ALA A 136 19.729 68.869 20.656 1.00 0.00 H new ATOM 0 HB1 ALA A 136 21.521 69.827 19.212 1.00 0.00 H new ATOM 0 HB2 ALA A 136 22.209 68.875 20.549 1.00 0.00 H new ATOM 0 HB3 ALA A 136 22.144 68.187 18.909 1.00 0.00 H new ATOM 2071 N GLU A 137 19.841 67.364 17.700 1.00 0.00 N ATOM 2072 CA GLU A 137 19.132 67.240 16.433 1.00 0.00 C ATOM 2073 C GLU A 137 17.745 66.646 16.654 1.00 0.00 C ATOM 2074 O GLU A 137 16.779 67.041 15.999 1.00 0.00 O ATOM 2075 CB GLU A 137 19.924 66.347 15.476 1.00 0.00 C ATOM 2076 CG GLU A 137 21.230 67.044 15.088 1.00 0.00 C ATOM 2077 CD GLU A 137 22.061 66.133 14.192 1.00 0.00 C ATOM 2078 OE1 GLU A 137 21.628 65.020 13.948 1.00 0.00 O ATOM 2079 OE2 GLU A 137 23.119 66.564 13.761 1.00 0.00 O1- ATOM 0 H GLU A 137 20.659 66.762 17.791 1.00 0.00 H new ATOM 0 HA GLU A 137 19.026 68.234 15.998 1.00 0.00 H new ATOM 0 HB2 GLU A 137 20.138 65.389 15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.333 66.137 14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 137 21.013 67.978 14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 137 21.795 67.300 15.984 1.00 0.00 H new ATOM 2086 N MET A 138 17.653 65.696 17.577 1.00 0.00 N ATOM 2087 CA MET A 138 16.379 65.052 17.867 1.00 0.00 C ATOM 2088 C MET A 138 15.349 66.083 18.316 1.00 0.00 C ATOM 2089 O MET A 138 14.210 66.070 17.861 1.00 0.00 O ATOM 2090 CB MET A 138 16.563 64.005 18.969 1.00 0.00 C ATOM 2091 CG MET A 138 15.276 63.191 19.132 1.00 0.00 C ATOM 2092 SD MET A 138 15.048 62.136 17.680 1.00 0.00 S ATOM 2093 CE MET A 138 15.824 60.646 18.354 1.00 0.00 C ATOM 0 H MET A 138 18.438 65.357 18.133 1.00 0.00 H new ATOM 0 HA MET A 138 16.023 64.567 16.958 1.00 0.00 H new ATOM 0 HB2 MET A 138 17.393 63.344 18.720 1.00 0.00 H new ATOM 0 HB3 MET A 138 16.816 64.494 19.910 1.00 0.00 H new ATOM 0 HG2 MET A 138 15.329 62.581 20.034 1.00 0.00 H new ATOM 0 HG3 MET A 138 14.422 63.858 19.249 1.00 0.00 H new ATOM 0 HE1 MET A 138 15.793 59.851 17.609 1.00 0.00 H new ATOM 0 HE2 MET A 138 16.861 60.861 18.612 1.00 0.00 H new ATOM 0 HE3 MET A 138 15.286 60.328 19.247 1.00 0.00 H new ATOM 2103 N SER A 139 15.759 66.971 19.213 1.00 0.00 N ATOM 2104 CA SER A 139 14.861 68.001 19.719 1.00 0.00 C ATOM 2105 C SER A 139 14.502 68.990 18.616 1.00 0.00 C ATOM 2106 O SER A 139 13.403 69.540 18.595 1.00 0.00 O ATOM 2107 CB SER A 139 15.521 68.745 20.880 1.00 0.00 C ATOM 2108 OG SER A 139 15.557 67.895 22.019 1.00 0.00 O ATOM 0 H SER A 139 16.701 66.999 19.603 1.00 0.00 H new ATOM 0 HA SER A 139 13.948 67.519 20.069 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.531 69.049 20.606 1.00 0.00 H new ATOM 0 HB3 SER A 139 14.965 69.655 21.108 1.00 0.00 H new ATOM 0 HG SER A 139 16.464 67.883 22.389 1.00 0.00 H new ATOM 2114 N ALA A 140 15.444 69.220 17.706 1.00 0.00 N ATOM 2115 CA ALA A 140 15.223 70.158 16.612 1.00 0.00 C ATOM 2116 C ALA A 140 14.194 69.615 15.628 1.00 0.00 C ATOM 2117 O ALA A 140 13.240 70.306 15.267 1.00 0.00 O ATOM 2118 CB ALA A 140 16.540 70.426 15.881 1.00 0.00 C ATOM 0 H ALA A 140 16.361 68.773 17.704 1.00 0.00 H new ATOM 0 HA ALA A 140 14.843 71.089 17.033 1.00 0.00 H new ATOM 0 HB1 ALA A 140 16.367 71.128 15.065 1.00 0.00 H new ATOM 0 HB2 ALA A 140 17.263 70.851 16.578 1.00 0.00 H new ATOM 0 HB3 ALA A 140 16.930 69.491 15.479 1.00 0.00 H new ATOM 2124 N ALA A 141 14.393 68.376 15.199 1.00 0.00 N ATOM 2125 CA ALA A 141 13.480 67.749 14.253 1.00 0.00 C ATOM 2126 C ALA A 141 12.066 67.719 14.817 1.00 0.00 C ATOM 2127 O ALA A 141 11.089 67.705 14.066 1.00 0.00 O ATOM 2128 CB ALA A 141 13.937 66.323 13.950 1.00 0.00 C ATOM 0 H ALA A 141 15.174 67.788 15.489 1.00 0.00 H new ATOM 0 HA ALA A 141 13.483 68.334 13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.248 65.863 13.242 1.00 0.00 H new ATOM 0 HB2 ALA A 141 14.938 66.345 13.520 1.00 0.00 H new ATOM 0 HB3 ALA A 141 13.951 65.742 14.872 1.00 0.00 H new ATOM 2134 N LYS A 142 11.957 67.715 16.140 1.00 0.00 N ATOM 2135 CA LYS A 142 10.654 67.696 16.789 1.00 0.00 C ATOM 2136 C LYS A 142 9.908 68.996 16.550 1.00 0.00 C ATOM 2137 O LYS A 142 8.708 68.992 16.277 1.00 0.00 O ATOM 2138 CB LYS A 142 10.829 67.472 18.294 1.00 0.00 C ATOM 2139 CG LYS A 142 11.284 66.028 18.560 1.00 0.00 C ATOM 2140 CD LYS A 142 10.060 65.113 18.664 1.00 0.00 C ATOM 2141 CE LYS A 142 10.515 63.683 18.936 1.00 0.00 C ATOM 2142 NZ LYS A 142 9.323 62.795 19.022 1.00 0.00 N1+ ATOM 0 H LYS A 142 12.751 67.725 16.780 1.00 0.00 H new ATOM 0 HA LYS A 142 10.070 66.881 16.361 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.563 68.173 18.692 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.889 67.667 18.811 1.00 0.00 H new ATOM 0 HG2 LYS A 142 11.937 65.688 17.756 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.863 65.983 19.482 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.404 65.455 19.464 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.483 65.153 17.740 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.179 63.343 18.141 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.082 63.640 19.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.630 61.819 19.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.706 63.117 19.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 8.800 62.829 18.124 1.00 0.00 H new ATOM 2156 N VAL A 143 10.621 70.109 16.671 1.00 0.00 N ATOM 2157 CA VAL A 143 9.998 71.412 16.483 1.00 0.00 C ATOM 2158 C VAL A 143 9.455 71.552 15.067 1.00 0.00 C ATOM 2159 O VAL A 143 8.321 71.993 14.868 1.00 0.00 O ATOM 2160 CB VAL A 143 11.021 72.522 16.738 1.00 0.00 C ATOM 2161 CG1 VAL A 143 10.300 73.853 17.005 1.00 0.00 C ATOM 2162 CG2 VAL A 143 11.893 72.158 17.936 1.00 0.00 C ATOM 0 H VAL A 143 11.616 70.136 16.895 1.00 0.00 H new ATOM 0 HA VAL A 143 9.173 71.499 17.190 1.00 0.00 H new ATOM 0 HB VAL A 143 11.651 72.631 15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 143 11.037 74.636 17.185 1.00 0.00 H new ATOM 0 HG12 VAL A 143 9.693 74.118 16.139 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.658 73.750 17.880 1.00 0.00 H new ATOM 0 HG21 VAL A 143 12.619 72.952 18.112 1.00 0.00 H new ATOM 0 HG22 VAL A 143 11.266 72.037 18.819 1.00 0.00 H new ATOM 0 HG23 VAL A 143 12.418 71.225 17.734 1.00 0.00 H new ATOM 2172 N ALA A 144 10.267 71.182 14.080 1.00 0.00 N ATOM 2173 CA ALA A 144 9.854 71.284 12.690 1.00 0.00 C ATOM 2174 C ALA A 144 8.727 70.308 12.378 1.00 0.00 C ATOM 2175 O ALA A 144 7.708 70.689 11.813 1.00 0.00 O ATOM 2176 CB ALA A 144 11.049 70.984 11.774 1.00 0.00 C ATOM 0 H ALA A 144 11.207 70.812 14.219 1.00 0.00 H new ATOM 0 HA ALA A 144 9.493 72.298 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 144 10.737 71.061 10.732 1.00 0.00 H new ATOM 0 HB2 ALA A 144 11.846 71.702 11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.414 69.976 11.970 1.00 0.00 H new ATOM 2182 N PHE A 145 8.918 69.049 12.745 1.00 0.00 N ATOM 2183 CA PHE A 145 7.910 68.031 12.475 1.00 0.00 C ATOM 2184 C PHE A 145 6.577 68.396 13.110 1.00 0.00 C ATOM 2185 O PHE A 145 5.538 68.366 12.445 1.00 0.00 O ATOM 2186 CB PHE A 145 8.381 66.681 13.029 1.00 0.00 C ATOM 2187 CG PHE A 145 7.600 65.563 12.379 1.00 0.00 C ATOM 2188 CD1 PHE A 145 6.277 65.319 12.765 1.00 0.00 C ATOM 2189 CD2 PHE A 145 8.195 64.774 11.389 1.00 0.00 C ATOM 2190 CE1 PHE A 145 5.551 64.288 12.161 1.00 0.00 C ATOM 2191 CE2 PHE A 145 7.470 63.741 10.786 1.00 0.00 C ATOM 2192 CZ PHE A 145 6.146 63.499 11.170 1.00 0.00 C ATOM 0 H PHE A 145 9.751 68.709 13.225 1.00 0.00 H new ATOM 0 HA PHE A 145 7.773 67.966 11.396 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.447 66.551 12.840 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.244 66.653 14.110 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.817 65.927 13.530 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.215 64.963 11.090 1.00 0.00 H new ATOM 0 HE1 PHE A 145 4.530 64.100 12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 145 7.932 63.130 10.024 1.00 0.00 H new ATOM 0 HZ PHE A 145 5.584 62.704 10.702 1.00 0.00 H new ATOM 2202 N MET A 146 6.610 68.743 14.389 1.00 0.00 N ATOM 2203 CA MET A 146 5.395 69.109 15.101 1.00 0.00 C ATOM 2204 C MET A 146 4.784 70.378 14.517 1.00 0.00 C ATOM 2205 O MET A 146 3.562 70.520 14.459 1.00 0.00 O ATOM 2206 CB MET A 146 5.703 69.323 16.584 1.00 0.00 C ATOM 2207 CG MET A 146 5.029 68.225 17.409 1.00 0.00 C ATOM 2208 SD MET A 146 6.098 67.775 18.799 1.00 0.00 S ATOM 2209 CE MET A 146 5.654 66.021 18.869 1.00 0.00 C ATOM 0 H MET A 146 7.460 68.779 14.952 1.00 0.00 H new ATOM 0 HA MET A 146 4.678 68.296 14.991 1.00 0.00 H new ATOM 0 HB2 MET A 146 6.780 69.307 16.749 1.00 0.00 H new ATOM 0 HB3 MET A 146 5.347 70.303 16.903 1.00 0.00 H new ATOM 0 HG2 MET A 146 4.063 68.572 17.776 1.00 0.00 H new ATOM 0 HG3 MET A 146 4.838 67.352 16.785 1.00 0.00 H new ATOM 0 HE1 MET A 146 6.208 65.537 19.673 1.00 0.00 H new ATOM 0 HE2 MET A 146 4.585 65.924 19.056 1.00 0.00 H new ATOM 0 HE3 MET A 146 5.902 65.545 17.920 1.00 0.00 H new ATOM 2219 N SER A 147 5.641 71.297 14.091 1.00 0.00 N ATOM 2220 CA SER A 147 5.177 72.552 13.513 1.00 0.00 C ATOM 2221 C SER A 147 4.536 72.324 12.149 1.00 0.00 C ATOM 2222 O SER A 147 3.506 72.915 11.827 1.00 0.00 O ATOM 2223 CB SER A 147 6.341 73.521 13.375 1.00 0.00 C ATOM 2224 OG SER A 147 5.946 74.617 12.560 1.00 0.00 O ATOM 0 H SER A 147 6.655 71.198 14.134 1.00 0.00 H new ATOM 0 HA SER A 147 4.426 72.975 14.180 1.00 0.00 H new ATOM 0 HB2 SER A 147 6.651 73.877 14.357 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.200 73.015 12.933 1.00 0.00 H new ATOM 0 HG SER A 147 6.742 75.083 12.230 1.00 0.00 H new ATOM 2230 N ILE A 148 5.159 71.470 11.349 1.00 0.00 N ATOM 2231 CA ILE A 148 4.651 71.182 10.013 1.00 0.00 C ATOM 2232 C ILE A 148 3.197 70.739 10.087 1.00 0.00 C ATOM 2233 O ILE A 148 2.379 71.135 9.255 1.00 0.00 O ATOM 2234 CB ILE A 148 5.494 70.077 9.358 1.00 0.00 C ATOM 2235 CG1 ILE A 148 6.830 70.661 8.887 1.00 0.00 C ATOM 2236 CG2 ILE A 148 4.747 69.493 8.149 1.00 0.00 C ATOM 2237 CD1 ILE A 148 7.806 69.524 8.574 1.00 0.00 C ATOM 0 H ILE A 148 6.011 70.967 11.598 1.00 0.00 H new ATOM 0 HA ILE A 148 4.716 72.089 9.412 1.00 0.00 H new ATOM 0 HB ILE A 148 5.672 69.289 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 148 6.677 71.277 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 148 7.247 71.310 9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 148 5.352 68.710 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.797 69.072 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.562 70.282 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 148 8.756 69.941 8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 148 7.968 68.927 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 148 7.390 68.893 7.788 1.00 0.00 H new