USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 658 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 69 SER OG : rot 87:sc= 0.82 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 60 MET CE :methyl -150:sc= -0.835 (180deg=-2.23!) USER MOD Set 2.2: A 84 SER OG : rot 119:sc= 1.18 USER MOD Set 3.1: A 45 MET CE :methyl -173:sc= -2.83! (180deg=0) USER MOD Set 3.2: A 50 GLN : amide:sc= -3.29! C(o=-6.1!,f=-12!) USER MOD Set 4.1: A 13 THR OG1 : rot -122:sc= 0.304 USER MOD Set 4.2: A 16 GLN : amide:sc= -0.332! C(o=-0.028!,f=-9!) USER MOD Set 4.3: A 85 MET CE :methyl -120:sc= 0 (180deg=-0.00315) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= -0.0931 (180deg=-1.7!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0355 F(o=-1.9,f=-0.035) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 43:sc= -2.84! USER MOD Single : A 37 SER OG : rot -102:sc= 0.776 USER MOD Single : A 38 THR OG1 : rot -83:sc= -2.45! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.135) USER MOD Single : A 47 MET CE :methyl 146:sc= -2.14 (180deg=-4.01!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 58 GLN : amide:sc= 0.273 K(o=0.27,f=-0.36) USER MOD Single : A 80 MET CE :methyl 178:sc= -6.05! (180deg=-6.09!) USER MOD Single : A 81 MET CE :methyl -146:sc= -0.354 (180deg=-1.97!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -65:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 64.721 17.989 3.453 1.00 4.98 N ATOM 2 CA ALA A 2 64.879 16.508 3.549 1.00 4.92 C ATOM 3 C ALA A 2 65.578 15.968 2.299 1.00 4.09 C ATOM 4 O ALA A 2 65.032 15.165 1.569 1.00 4.52 O ATOM 5 CB ALA A 2 63.455 15.963 3.646 1.00 5.75 C ATOM 0 HA ALA A 2 65.487 16.212 4.404 1.00 4.92 H new ATOM 0 HB1 ALA A 2 63.486 14.876 3.720 1.00 5.75 H new ATOM 0 HB2 ALA A 2 62.968 16.373 4.531 1.00 5.75 H new ATOM 0 HB3 ALA A 2 62.894 16.250 2.757 1.00 5.75 H new ATOM 13 N ASP A 3 66.783 16.402 2.046 1.00 3.31 N ATOM 14 CA ASP A 3 67.515 15.913 0.843 1.00 2.98 C ATOM 15 C ASP A 3 68.842 15.259 1.258 1.00 2.31 C ATOM 16 O ASP A 3 68.862 14.147 1.745 1.00 2.93 O ATOM 17 CB ASP A 3 67.757 17.159 -0.017 1.00 3.17 C ATOM 18 CG ASP A 3 68.146 18.340 0.877 1.00 3.95 C ATOM 19 OD1 ASP A 3 68.804 18.109 1.878 1.00 4.32 O ATOM 20 OD2 ASP A 3 67.778 19.455 0.544 1.00 4.60 O ATOM 0 H ASP A 3 67.292 17.074 2.620 1.00 3.31 H new ATOM 0 HA ASP A 3 66.953 15.156 0.296 1.00 2.98 H new ATOM 0 HB2 ASP A 3 68.548 16.964 -0.742 1.00 3.17 H new ATOM 0 HB3 ASP A 3 66.858 17.401 -0.584 1.00 3.17 H new ATOM 25 N ILE A 4 69.948 15.935 1.074 1.00 1.43 N ATOM 26 CA ILE A 4 71.262 15.341 1.461 1.00 1.28 C ATOM 27 C ILE A 4 71.557 14.102 0.609 1.00 1.13 C ATOM 28 O ILE A 4 72.463 14.095 -0.199 1.00 1.61 O ATOM 29 CB ILE A 4 71.115 14.960 2.935 1.00 1.66 C ATOM 30 CG1 ILE A 4 70.423 16.098 3.690 1.00 2.36 C ATOM 31 CG2 ILE A 4 72.500 14.719 3.539 1.00 1.86 C ATOM 32 CD1 ILE A 4 70.360 15.761 5.181 1.00 2.80 C ATOM 0 H ILE A 4 69.997 16.872 0.673 1.00 1.43 H new ATOM 0 HA ILE A 4 72.087 16.036 1.305 1.00 1.28 H new ATOM 0 HB ILE A 4 70.518 14.052 3.017 1.00 1.66 H new ATOM 0 HG12 ILE A 4 70.967 17.031 3.540 1.00 2.36 H new ATOM 0 HG13 ILE A 4 69.417 16.249 3.298 1.00 2.36 H new ATOM 0 HG21 ILE A 4 72.397 14.447 4.590 1.00 1.86 H new ATOM 0 HG22 ILE A 4 72.995 13.910 3.002 1.00 1.86 H new ATOM 0 HG23 ILE A 4 73.096 15.628 3.456 1.00 1.86 H new ATOM 0 HD11 ILE A 4 69.867 16.572 5.717 1.00 2.80 H new ATOM 0 HD12 ILE A 4 69.797 14.838 5.322 1.00 2.80 H new ATOM 0 HD13 ILE A 4 71.371 15.632 5.568 1.00 2.80 H new ATOM 44 N TYR A 5 70.798 13.054 0.784 1.00 0.88 N ATOM 45 CA TYR A 5 71.038 11.818 -0.017 1.00 0.86 C ATOM 46 C TYR A 5 70.292 11.902 -1.351 1.00 0.78 C ATOM 47 O TYR A 5 70.822 11.568 -2.392 1.00 0.79 O ATOM 48 CB TYR A 5 70.484 10.675 0.835 1.00 1.02 C ATOM 49 CG TYR A 5 70.939 10.846 2.264 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.176 10.334 2.670 1.00 1.64 C ATOM 51 CD2 TYR A 5 70.124 11.518 3.182 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.599 10.493 3.995 1.00 1.80 C ATOM 53 CE2 TYR A 5 70.546 11.678 4.507 1.00 2.20 C ATOM 54 CZ TYR A 5 71.783 11.166 4.914 1.00 1.77 C ATOM 55 OH TYR A 5 72.200 11.323 6.220 1.00 2.07 O ATOM 0 H TYR A 5 70.023 13.000 1.445 1.00 0.88 H new ATOM 0 HA TYR A 5 72.093 11.676 -0.249 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.395 10.667 0.787 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.828 9.717 0.445 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.805 9.816 1.961 1.00 1.64 H new ATOM 0 HD2 TYR A 5 69.169 11.913 2.868 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.554 10.097 4.309 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.917 12.197 5.215 1.00 2.20 H new ATOM 0 HH TYR A 5 71.517 11.813 6.725 1.00 2.07 H new ATOM 65 N LYS A 6 69.064 12.346 -1.328 1.00 0.89 N ATOM 66 CA LYS A 6 68.288 12.451 -2.597 1.00 1.01 C ATOM 67 C LYS A 6 69.157 13.066 -3.695 1.00 0.98 C ATOM 68 O LYS A 6 69.213 12.573 -4.805 1.00 1.00 O ATOM 69 CB LYS A 6 67.111 13.371 -2.266 1.00 1.28 C ATOM 70 CG LYS A 6 65.815 12.560 -2.257 1.00 1.60 C ATOM 71 CD LYS A 6 65.941 11.403 -1.264 1.00 2.04 C ATOM 72 CE LYS A 6 65.995 11.957 0.161 1.00 2.60 C ATOM 73 NZ LYS A 6 65.708 10.788 1.039 1.00 3.24 N ATOM 0 H LYS A 6 68.566 12.640 -0.488 1.00 0.89 H new ATOM 0 HA LYS A 6 67.955 11.479 -2.961 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.265 13.841 -1.294 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.045 14.173 -3.001 1.00 1.28 H new ATOM 0 HG2 LYS A 6 64.976 13.199 -1.982 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.608 12.175 -3.255 1.00 1.60 H new ATOM 0 HD2 LYS A 6 65.094 10.725 -1.370 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.841 10.825 -1.475 1.00 2.04 H new ATOM 0 HE2 LYS A 6 66.973 12.386 0.381 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.260 12.749 0.305 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.895 11.004 1.650 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.488 9.958 0.452 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.540 10.584 1.629 1.00 3.24 H new ATOM 87 N ALA A 7 69.837 14.139 -3.394 1.00 1.07 N ATOM 88 CA ALA A 7 70.705 14.784 -4.420 1.00 1.20 C ATOM 89 C ALA A 7 71.733 13.778 -4.946 1.00 1.08 C ATOM 90 O ALA A 7 72.194 13.875 -6.066 1.00 1.19 O ATOM 91 CB ALA A 7 71.400 15.931 -3.687 1.00 1.36 C ATOM 0 H ALA A 7 69.829 14.597 -2.482 1.00 1.07 H new ATOM 0 HA ALA A 7 70.137 15.138 -5.281 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.059 16.457 -4.377 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.651 16.623 -3.301 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.986 15.532 -2.859 1.00 1.36 H new ATOM 97 N ALA A 8 72.095 12.814 -4.144 1.00 0.95 N ATOM 98 CA ALA A 8 73.092 11.803 -4.596 1.00 0.96 C ATOM 99 C ALA A 8 72.407 10.731 -5.447 1.00 0.90 C ATOM 100 O ALA A 8 72.882 10.366 -6.504 1.00 1.01 O ATOM 101 CB ALA A 8 73.651 11.192 -3.310 1.00 0.98 C ATOM 0 H ALA A 8 71.743 12.683 -3.196 1.00 0.95 H new ATOM 0 HA ALA A 8 73.877 12.243 -5.211 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.395 10.435 -3.560 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.116 11.973 -2.708 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.841 10.732 -2.744 1.00 0.98 H new ATOM 107 N VAL A 9 71.291 10.227 -4.995 1.00 0.83 N ATOM 108 CA VAL A 9 70.575 9.181 -5.781 1.00 0.82 C ATOM 109 C VAL A 9 70.220 9.720 -7.168 1.00 0.97 C ATOM 110 O VAL A 9 70.227 8.999 -8.146 1.00 1.02 O ATOM 111 CB VAL A 9 69.308 8.879 -4.979 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.363 8.020 -5.822 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.680 8.123 -3.701 1.00 0.70 C ATOM 0 H VAL A 9 70.845 10.493 -4.117 1.00 0.83 H new ATOM 0 HA VAL A 9 71.181 8.287 -5.932 1.00 0.82 H new ATOM 0 HB VAL A 9 68.813 9.814 -4.717 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.460 7.805 -5.251 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.097 8.558 -6.732 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.858 7.085 -6.084 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.777 7.908 -3.130 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.175 7.188 -3.963 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.353 8.734 -3.100 1.00 0.70 H new ATOM 123 N GLU A 10 69.910 10.985 -7.261 1.00 1.12 N ATOM 124 CA GLU A 10 69.557 11.571 -8.585 1.00 1.32 C ATOM 125 C GLU A 10 70.780 11.569 -9.505 1.00 1.37 C ATOM 126 O GLU A 10 70.664 11.636 -10.713 1.00 1.56 O ATOM 127 CB GLU A 10 69.117 13.003 -8.282 1.00 1.51 C ATOM 128 CG GLU A 10 67.710 12.991 -7.680 1.00 1.80 C ATOM 129 CD GLU A 10 66.738 12.346 -8.669 1.00 2.02 C ATOM 130 OE1 GLU A 10 66.579 12.887 -9.751 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.169 11.323 -8.327 1.00 2.61 O ATOM 0 H GLU A 10 69.886 11.637 -6.477 1.00 1.12 H new ATOM 0 HA GLU A 10 68.776 11.005 -9.092 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.816 13.470 -7.588 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.128 13.598 -9.195 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.710 12.438 -6.740 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.392 14.008 -7.452 1.00 1.80 H new ATOM 138 N GLN A 11 71.955 11.493 -8.941 1.00 1.29 N ATOM 139 CA GLN A 11 73.187 11.486 -9.781 1.00 1.45 C ATOM 140 C GLN A 11 73.652 10.048 -10.026 1.00 1.35 C ATOM 141 O GLN A 11 74.756 9.810 -10.473 1.00 1.53 O ATOM 142 CB GLN A 11 74.227 12.253 -8.964 1.00 1.61 C ATOM 143 CG GLN A 11 74.514 13.597 -9.637 1.00 2.13 C ATOM 144 CD GLN A 11 73.728 14.701 -8.925 1.00 2.44 C ATOM 145 OE1 GLN A 11 72.450 14.540 -8.709 1.00 2.96 O flip ATOM 146 NE2 GLN A 11 74.281 15.720 -8.564 1.00 2.71 N flip ATOM 0 H GLN A 11 72.115 11.435 -7.935 1.00 1.29 H new ATOM 0 HA GLN A 11 73.022 11.938 -10.759 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.862 12.413 -7.949 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.145 11.670 -8.885 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.582 13.814 -9.600 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.233 13.556 -10.689 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.279 15.846 -8.733 1.00 2.71 H new ATOM 0 HE22 GLN A 11 73.747 16.450 -8.092 1.00 2.71 H new ATOM 155 N LEU A 12 72.818 9.087 -9.735 1.00 1.18 N ATOM 156 CA LEU A 12 73.214 7.666 -9.952 1.00 1.21 C ATOM 157 C LEU A 12 73.321 7.370 -11.449 1.00 1.11 C ATOM 158 O LEU A 12 72.966 8.183 -12.279 1.00 1.25 O ATOM 159 CB LEU A 12 72.090 6.841 -9.324 1.00 1.32 C ATOM 160 CG LEU A 12 72.433 6.531 -7.866 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.365 5.607 -7.279 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.797 5.839 -7.798 1.00 1.68 C ATOM 0 H LEU A 12 71.881 9.224 -9.357 1.00 1.18 H new ATOM 0 HA LEU A 12 74.184 7.437 -9.512 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.149 7.389 -9.378 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.951 5.914 -9.880 1.00 1.32 H new ATOM 0 HG LEU A 12 72.467 7.459 -7.295 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.607 5.385 -6.240 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.393 6.097 -7.328 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.332 4.679 -7.850 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.042 5.618 -6.759 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.763 4.911 -8.368 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.559 6.495 -8.218 1.00 1.68 H new ATOM 174 N THR A 13 73.807 6.211 -11.800 1.00 1.05 N ATOM 175 CA THR A 13 73.934 5.863 -13.245 1.00 1.13 C ATOM 176 C THR A 13 72.788 4.938 -13.664 1.00 0.94 C ATOM 177 O THR A 13 72.303 4.143 -12.885 1.00 0.87 O ATOM 178 CB THR A 13 75.278 5.141 -13.362 1.00 1.38 C ATOM 179 OG1 THR A 13 75.154 3.826 -12.838 1.00 1.89 O ATOM 180 CG2 THR A 13 76.344 5.907 -12.578 1.00 1.68 C ATOM 0 H THR A 13 74.121 5.490 -11.150 1.00 1.05 H new ATOM 0 HA THR A 13 73.887 6.741 -13.889 1.00 1.13 H new ATOM 0 HB THR A 13 75.572 5.089 -14.410 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.803 3.700 -12.115 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.300 5.390 -12.663 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.439 6.915 -12.982 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.054 5.963 -11.529 1.00 1.68 H new ATOM 188 N GLU A 14 72.353 5.033 -14.891 1.00 0.94 N ATOM 189 CA GLU A 14 71.240 4.157 -15.356 1.00 0.90 C ATOM 190 C GLU A 14 71.473 2.719 -14.887 1.00 0.82 C ATOM 191 O GLU A 14 70.543 1.969 -14.666 1.00 0.82 O ATOM 192 CB GLU A 14 71.283 4.237 -16.883 1.00 1.05 C ATOM 193 CG GLU A 14 70.313 3.214 -17.476 1.00 2.10 C ATOM 194 CD GLU A 14 70.136 3.484 -18.971 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.593 4.522 -19.423 1.00 2.91 O ATOM 196 OE2 GLU A 14 69.547 2.650 -19.639 1.00 3.31 O ATOM 0 H GLU A 14 72.720 5.678 -15.591 1.00 0.94 H new ATOM 0 HA GLU A 14 70.274 4.469 -14.960 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.015 5.241 -17.213 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.295 4.043 -17.239 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.693 2.204 -17.321 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.350 3.274 -16.969 1.00 2.10 H new ATOM 203 N GLU A 15 72.709 2.329 -14.733 1.00 0.92 N ATOM 204 CA GLU A 15 73.003 0.940 -14.278 1.00 1.01 C ATOM 205 C GLU A 15 72.743 0.813 -12.774 1.00 0.90 C ATOM 206 O GLU A 15 72.515 -0.266 -12.264 1.00 0.89 O ATOM 207 CB GLU A 15 74.484 0.729 -14.590 1.00 1.23 C ATOM 208 CG GLU A 15 74.701 0.807 -16.102 1.00 1.92 C ATOM 209 CD GLU A 15 75.265 2.181 -16.468 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.466 2.358 -16.352 1.00 2.90 O ATOM 211 OE2 GLU A 15 74.485 3.036 -16.856 1.00 2.80 O ATOM 0 H GLU A 15 73.528 2.912 -14.903 1.00 0.92 H new ATOM 0 HA GLU A 15 72.375 0.198 -14.771 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.085 1.486 -14.086 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.812 -0.240 -14.214 1.00 1.23 H new ATOM 0 HG2 GLU A 15 75.388 0.023 -16.422 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.759 0.638 -16.624 1.00 1.92 H new ATOM 218 N GLN A 16 72.775 1.907 -12.063 1.00 0.89 N ATOM 219 CA GLN A 16 72.528 1.848 -10.594 1.00 0.87 C ATOM 220 C GLN A 16 71.024 1.915 -10.311 1.00 0.68 C ATOM 221 O GLN A 16 70.503 1.175 -9.500 1.00 0.67 O ATOM 222 CB GLN A 16 73.237 3.078 -10.023 1.00 0.97 C ATOM 223 CG GLN A 16 74.391 2.631 -9.122 1.00 1.77 C ATOM 224 CD GLN A 16 75.697 2.649 -9.918 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.711 2.338 -11.093 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.804 3.002 -9.324 1.00 2.61 N ATOM 0 H GLN A 16 72.961 2.838 -12.435 1.00 0.89 H new ATOM 0 HA GLN A 16 72.896 0.924 -10.149 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.615 3.702 -10.833 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.533 3.686 -9.455 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.470 3.292 -8.259 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.200 1.629 -8.739 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.793 3.263 -8.338 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.680 3.017 -9.846 1.00 2.61 H new ATOM 235 N LYS A 17 70.321 2.791 -10.977 1.00 0.63 N ATOM 236 CA LYS A 17 68.852 2.896 -10.747 1.00 0.62 C ATOM 237 C LYS A 17 68.151 1.635 -11.257 1.00 0.60 C ATOM 238 O LYS A 17 67.351 1.035 -10.569 1.00 0.66 O ATOM 239 CB LYS A 17 68.403 4.118 -11.550 1.00 0.74 C ATOM 240 CG LYS A 17 69.090 5.373 -11.009 1.00 1.21 C ATOM 241 CD LYS A 17 68.029 6.412 -10.639 1.00 1.31 C ATOM 242 CE LYS A 17 68.691 7.783 -10.480 1.00 1.43 C ATOM 243 NZ LYS A 17 67.658 8.762 -10.921 1.00 2.06 N ATOM 0 H LYS A 17 70.700 3.437 -11.669 1.00 0.63 H new ATOM 0 HA LYS A 17 68.608 2.996 -9.689 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.649 3.983 -12.603 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.320 4.229 -11.487 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.692 5.124 -10.135 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.769 5.781 -11.758 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.261 6.454 -11.412 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.533 6.126 -9.712 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.988 7.961 -9.446 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.592 7.859 -11.088 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.038 9.727 -10.841 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.400 8.572 -11.911 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 66.814 8.671 -10.320 1.00 2.06 H new ATOM 257 N ASN A 18 68.447 1.229 -12.463 1.00 0.70 N ATOM 258 CA ASN A 18 67.799 0.005 -13.016 1.00 0.85 C ATOM 259 C ASN A 18 68.087 -1.196 -12.112 1.00 0.70 C ATOM 260 O ASN A 18 67.372 -2.178 -12.121 1.00 0.66 O ATOM 261 CB ASN A 18 68.434 -0.193 -14.393 1.00 1.11 C ATOM 262 CG ASN A 18 67.616 0.557 -15.446 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.408 0.636 -15.351 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.228 1.118 -16.453 1.00 2.13 N ATOM 0 H ASN A 18 69.108 1.691 -13.088 1.00 0.70 H new ATOM 0 HA ASN A 18 66.715 0.103 -13.080 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.461 0.172 -14.387 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.474 -1.255 -14.637 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.692 1.622 -17.159 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.243 1.052 -16.534 1.00 2.13 H new ATOM 271 N GLU A 19 69.130 -1.124 -11.332 1.00 0.76 N ATOM 272 CA GLU A 19 69.463 -2.261 -10.426 1.00 0.79 C ATOM 273 C GLU A 19 68.605 -2.194 -9.160 1.00 0.65 C ATOM 274 O GLU A 19 68.081 -3.190 -8.701 1.00 0.66 O ATOM 275 CB GLU A 19 70.941 -2.072 -10.083 1.00 0.98 C ATOM 276 CG GLU A 19 71.704 -3.364 -10.385 1.00 1.21 C ATOM 277 CD GLU A 19 73.163 -3.205 -9.954 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.499 -2.146 -9.451 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.920 -4.145 -10.134 1.00 2.53 O ATOM 0 H GLU A 19 69.766 -0.328 -11.282 1.00 0.76 H new ATOM 0 HA GLU A 19 69.272 -3.229 -10.888 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.357 -1.247 -10.662 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.051 -1.810 -9.031 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.247 -4.201 -9.858 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.650 -3.591 -11.450 1.00 1.21 H new ATOM 286 N PHE A 20 68.455 -1.028 -8.594 1.00 0.67 N ATOM 287 CA PHE A 20 67.629 -0.898 -7.360 1.00 0.75 C ATOM 288 C PHE A 20 66.143 -1.021 -7.707 1.00 0.66 C ATOM 289 O PHE A 20 65.480 -1.961 -7.318 1.00 0.79 O ATOM 290 CB PHE A 20 67.941 0.497 -6.818 1.00 0.97 C ATOM 291 CG PHE A 20 69.432 0.646 -6.639 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.195 -0.436 -6.185 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.054 1.868 -6.928 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.578 -0.298 -6.019 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.437 2.006 -6.762 1.00 3.36 C ATOM 296 CZ PHE A 20 72.199 0.922 -6.307 1.00 3.69 C ATOM 0 H PHE A 20 68.869 -0.159 -8.933 1.00 0.67 H new ATOM 0 HA PHE A 20 67.851 -1.676 -6.629 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.569 1.257 -7.505 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.433 0.651 -5.866 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.716 -1.378 -5.963 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.466 2.703 -7.279 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.166 -1.134 -5.669 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.916 2.948 -6.985 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.266 1.028 -6.179 1.00 3.69 H new ATOM 306 N LYS A 21 65.616 -0.079 -8.440 1.00 0.60 N ATOM 307 CA LYS A 21 64.174 -0.143 -8.813 1.00 0.65 C ATOM 308 C LYS A 21 63.800 -1.569 -9.231 1.00 0.57 C ATOM 309 O LYS A 21 62.686 -2.012 -9.032 1.00 0.57 O ATOM 310 CB LYS A 21 64.029 0.817 -9.995 1.00 0.78 C ATOM 311 CG LYS A 21 64.218 2.255 -9.510 1.00 1.27 C ATOM 312 CD LYS A 21 65.281 2.947 -10.365 1.00 1.58 C ATOM 313 CE LYS A 21 64.971 4.443 -10.453 1.00 2.42 C ATOM 314 NZ LYS A 21 64.229 4.607 -11.733 1.00 2.88 N ATOM 0 H LYS A 21 66.121 0.732 -8.797 1.00 0.60 H new ATOM 0 HA LYS A 21 63.519 0.128 -7.985 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.767 0.581 -10.762 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.046 0.702 -10.452 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.275 2.798 -9.573 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.519 2.260 -8.462 1.00 1.27 H new ATOM 0 HD2 LYS A 21 66.269 2.794 -9.930 1.00 1.58 H new ATOM 0 HD3 LYS A 21 65.301 2.510 -11.363 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.372 4.773 -9.604 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.885 5.037 -10.448 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.981 5.608 -11.865 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.827 4.292 -12.524 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 63.360 4.036 -11.706 1.00 2.88 H new ATOM 328 N ALA A 22 64.723 -2.290 -9.805 1.00 0.59 N ATOM 329 CA ALA A 22 64.421 -3.685 -10.234 1.00 0.62 C ATOM 330 C ALA A 22 64.449 -4.626 -9.025 1.00 0.50 C ATOM 331 O ALA A 22 63.479 -5.294 -8.724 1.00 0.50 O ATOM 332 CB ALA A 22 65.530 -4.046 -11.221 1.00 0.76 C ATOM 0 H ALA A 22 65.674 -1.974 -9.996 1.00 0.59 H new ATOM 0 HA ALA A 22 63.432 -3.774 -10.684 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.378 -5.063 -11.584 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.508 -3.353 -12.062 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.497 -3.980 -10.722 1.00 0.76 H new ATOM 338 N ALA A 23 65.553 -4.682 -8.333 1.00 0.50 N ATOM 339 CA ALA A 23 65.645 -5.579 -7.146 1.00 0.53 C ATOM 340 C ALA A 23 64.476 -5.315 -6.193 1.00 0.46 C ATOM 341 O ALA A 23 63.861 -6.228 -5.681 1.00 0.52 O ATOM 342 CB ALA A 23 66.972 -5.216 -6.479 1.00 0.64 C ATOM 0 H ALA A 23 66.396 -4.145 -8.538 1.00 0.50 H new ATOM 0 HA ALA A 23 65.600 -6.633 -7.419 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.115 -5.835 -5.593 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.790 -5.389 -7.178 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.958 -4.165 -6.189 1.00 0.64 H new ATOM 348 N PHE A 24 64.165 -4.070 -5.953 1.00 0.47 N ATOM 349 CA PHE A 24 63.035 -3.748 -5.034 1.00 0.57 C ATOM 350 C PHE A 24 61.764 -4.477 -5.481 1.00 0.48 C ATOM 351 O PHE A 24 61.114 -5.145 -4.701 1.00 0.51 O ATOM 352 CB PHE A 24 62.852 -2.234 -5.146 1.00 0.77 C ATOM 353 CG PHE A 24 61.558 -1.832 -4.482 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.341 -2.023 -5.146 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.576 -1.269 -3.200 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.141 -1.651 -4.528 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.375 -0.897 -2.582 1.00 1.72 C ATOM 358 CZ PHE A 24 59.158 -1.088 -3.246 1.00 1.25 C ATOM 0 H PHE A 24 64.644 -3.263 -6.353 1.00 0.47 H new ATOM 0 HA PHE A 24 63.235 -4.060 -4.009 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.690 -1.720 -4.675 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.843 -1.935 -6.194 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.327 -2.457 -6.135 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.515 -1.122 -2.688 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.202 -1.798 -5.040 1.00 1.62 H new ATOM 0 HE2 PHE A 24 60.388 -0.463 -1.593 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.232 -0.801 -2.770 1.00 1.25 H new ATOM 368 N ASP A 25 61.406 -4.354 -6.729 1.00 0.45 N ATOM 369 CA ASP A 25 60.176 -5.038 -7.223 1.00 0.53 C ATOM 370 C ASP A 25 60.369 -6.557 -7.211 1.00 0.52 C ATOM 371 O ASP A 25 59.419 -7.313 -7.261 1.00 0.60 O ATOM 372 CB ASP A 25 59.989 -4.532 -8.654 1.00 0.66 C ATOM 373 CG ASP A 25 58.638 -3.824 -8.773 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.650 -4.398 -8.347 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.615 -2.719 -9.291 1.00 1.52 O ATOM 0 H ASP A 25 61.911 -3.810 -7.429 1.00 0.45 H new ATOM 0 HA ASP A 25 59.308 -4.826 -6.598 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.795 -3.847 -8.917 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.038 -5.365 -9.355 1.00 0.66 H new ATOM 380 N ILE A 26 61.591 -7.012 -7.146 1.00 0.50 N ATOM 381 CA ILE A 26 61.839 -8.484 -7.132 1.00 0.63 C ATOM 382 C ILE A 26 61.969 -8.986 -5.692 1.00 0.70 C ATOM 383 O ILE A 26 61.690 -10.131 -5.397 1.00 0.94 O ATOM 384 CB ILE A 26 63.155 -8.674 -7.885 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.023 -8.100 -9.297 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.484 -10.165 -7.971 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.415 -7.833 -9.870 1.00 0.69 C ATOM 0 H ILE A 26 62.428 -6.430 -7.102 1.00 0.50 H new ATOM 0 HA ILE A 26 61.023 -9.042 -7.591 1.00 0.63 H new ATOM 0 HB ILE A 26 63.954 -8.156 -7.355 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.483 -8.798 -9.936 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.444 -7.177 -9.273 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.423 -10.300 -8.508 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.579 -10.575 -6.966 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.685 -10.684 -8.501 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.322 -7.424 -10.876 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.939 -7.119 -9.235 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.978 -8.766 -9.908 1.00 0.69 H new ATOM 399 N PHE A 27 62.394 -8.140 -4.793 1.00 0.61 N ATOM 400 CA PHE A 27 62.542 -8.576 -3.375 1.00 0.79 C ATOM 401 C PHE A 27 61.290 -8.209 -2.574 1.00 0.76 C ATOM 402 O PHE A 27 61.166 -8.541 -1.412 1.00 1.03 O ATOM 403 CB PHE A 27 63.760 -7.815 -2.852 1.00 0.91 C ATOM 404 CG PHE A 27 65.003 -8.636 -3.097 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.305 -9.714 -2.257 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.852 -8.320 -4.163 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.456 -10.477 -2.484 1.00 2.83 C ATOM 408 CE2 PHE A 27 67.003 -9.083 -4.391 1.00 3.07 C ATOM 409 CZ PHE A 27 67.305 -10.162 -3.552 1.00 3.21 C ATOM 0 H PHE A 27 62.644 -7.169 -4.978 1.00 0.61 H new ATOM 0 HA PHE A 27 62.668 -9.655 -3.285 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.843 -6.850 -3.352 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.647 -7.613 -1.787 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.650 -9.957 -1.434 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.619 -7.487 -4.810 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.689 -11.309 -1.836 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.658 -8.839 -5.214 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.193 -10.751 -3.728 1.00 3.21 H new ATOM 419 N VAL A 28 60.358 -7.532 -3.188 1.00 0.63 N ATOM 420 CA VAL A 28 59.115 -7.151 -2.461 1.00 0.65 C ATOM 421 C VAL A 28 58.033 -8.212 -2.692 1.00 0.65 C ATOM 422 O VAL A 28 56.953 -8.143 -2.139 1.00 0.74 O ATOM 423 CB VAL A 28 58.718 -5.787 -3.052 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.193 -5.661 -3.165 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.244 -4.684 -2.135 1.00 1.47 C ATOM 0 H VAL A 28 60.404 -7.227 -4.160 1.00 0.63 H new ATOM 0 HA VAL A 28 59.252 -7.086 -1.382 1.00 0.65 H new ATOM 0 HB VAL A 28 59.147 -5.697 -4.050 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.938 -4.688 -3.585 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.810 -6.448 -3.814 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.746 -5.757 -2.176 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.970 -3.711 -2.542 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.809 -4.798 -1.142 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.329 -4.755 -2.066 1.00 1.47 H new ATOM 435 N LEU A 29 58.318 -9.196 -3.498 1.00 0.92 N ATOM 436 CA LEU A 29 57.311 -10.262 -3.756 1.00 0.99 C ATOM 437 C LEU A 29 56.773 -10.802 -2.431 1.00 0.99 C ATOM 438 O LEU A 29 55.629 -11.198 -2.326 1.00 1.10 O ATOM 439 CB LEU A 29 58.081 -11.352 -4.497 1.00 1.43 C ATOM 440 CG LEU A 29 57.910 -11.166 -6.005 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.420 -11.166 -6.355 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.531 -9.832 -6.428 1.00 2.45 C ATOM 0 H LEU A 29 59.205 -9.308 -3.989 1.00 0.92 H new ATOM 0 HA LEU A 29 56.457 -9.900 -4.328 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.138 -11.309 -4.233 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.718 -12.335 -4.198 1.00 1.43 H new ATOM 0 HG LEU A 29 58.407 -11.982 -6.529 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.299 -11.033 -7.430 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.976 -12.115 -6.054 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.923 -10.350 -5.830 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.409 -9.699 -7.503 1.00 2.45 H new ATOM 0 HD22 LEU A 29 58.034 -9.016 -5.903 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.592 -9.830 -6.180 1.00 2.45 H new ATOM 454 N GLY A 30 57.592 -10.814 -1.417 1.00 1.16 N ATOM 455 CA GLY A 30 57.135 -11.321 -0.093 1.00 1.58 C ATOM 456 C GLY A 30 56.848 -10.136 0.827 1.00 1.39 C ATOM 457 O GLY A 30 56.330 -10.292 1.914 1.00 1.89 O ATOM 0 H GLY A 30 58.560 -10.494 -1.448 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.238 -11.929 -0.213 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.899 -11.962 0.348 1.00 1.58 H new ATOM 461 N ALA A 31 57.180 -8.950 0.396 1.00 0.90 N ATOM 462 CA ALA A 31 56.925 -7.750 1.244 1.00 0.95 C ATOM 463 C ALA A 31 55.486 -7.770 1.766 1.00 1.15 C ATOM 464 O ALA A 31 54.710 -8.647 1.443 1.00 1.41 O ATOM 465 CB ALA A 31 57.138 -6.556 0.315 1.00 0.97 C ATOM 0 H ALA A 31 57.617 -8.760 -0.506 1.00 0.90 H new ATOM 0 HA ALA A 31 57.580 -7.712 2.114 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.968 -5.631 0.866 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.159 -6.569 -0.066 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.439 -6.615 -0.519 1.00 0.97 H new ATOM 471 N GLU A 32 55.125 -6.809 2.570 1.00 1.35 N ATOM 472 CA GLU A 32 53.736 -6.772 3.111 1.00 1.90 C ATOM 473 C GLU A 32 53.072 -5.438 2.763 1.00 2.05 C ATOM 474 O GLU A 32 51.956 -5.394 2.284 1.00 2.79 O ATOM 475 CB GLU A 32 53.897 -6.911 4.625 1.00 2.37 C ATOM 476 CG GLU A 32 52.518 -6.913 5.287 1.00 2.44 C ATOM 477 CD GLU A 32 52.661 -6.528 6.760 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.373 -5.577 7.036 1.00 3.29 O ATOM 479 OE2 GLU A 32 52.056 -7.190 7.587 1.00 3.24 O ATOM 0 H GLU A 32 55.731 -6.048 2.876 1.00 1.35 H new ATOM 0 HA GLU A 32 53.108 -7.559 2.694 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.427 -7.834 4.862 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.498 -6.089 5.014 1.00 2.37 H new ATOM 0 HG2 GLU A 32 51.857 -6.211 4.779 1.00 2.44 H new ATOM 0 HG3 GLU A 32 52.062 -7.899 5.200 1.00 2.44 H new ATOM 486 N ASP A 33 53.752 -4.350 2.998 1.00 1.80 N ATOM 487 CA ASP A 33 53.164 -3.018 2.679 1.00 2.11 C ATOM 488 C ASP A 33 53.786 -2.466 1.395 1.00 1.47 C ATOM 489 O ASP A 33 53.681 -1.293 1.096 1.00 1.80 O ATOM 490 CB ASP A 33 53.520 -2.131 3.873 1.00 3.12 C ATOM 491 CG ASP A 33 52.707 -2.566 5.093 1.00 3.68 C ATOM 492 OD1 ASP A 33 52.704 -3.751 5.387 1.00 4.09 O ATOM 493 OD2 ASP A 33 52.100 -1.708 5.713 1.00 4.12 O ATOM 0 H ASP A 33 54.690 -4.325 3.397 1.00 1.80 H new ATOM 0 HA ASP A 33 52.087 -3.067 2.517 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.586 -2.204 4.088 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.313 -1.087 3.638 1.00 3.12 H new ATOM 498 N GLY A 34 54.437 -3.304 0.636 1.00 1.10 N ATOM 499 CA GLY A 34 55.069 -2.829 -0.627 1.00 1.40 C ATOM 500 C GLY A 34 56.415 -2.180 -0.308 1.00 1.17 C ATOM 501 O GLY A 34 56.697 -1.076 -0.730 1.00 1.39 O ATOM 0 H GLY A 34 54.559 -4.297 0.836 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.209 -3.664 -1.313 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.417 -2.113 -1.126 1.00 1.40 H new ATOM 505 N SER A 35 57.250 -2.853 0.437 1.00 0.84 N ATOM 506 CA SER A 35 58.577 -2.269 0.783 1.00 0.70 C ATOM 507 C SER A 35 59.547 -3.376 1.191 1.00 0.67 C ATOM 508 O SER A 35 59.201 -4.539 1.221 1.00 0.80 O ATOM 509 CB SER A 35 58.306 -1.333 1.959 1.00 0.75 C ATOM 510 OG SER A 35 57.820 -0.091 1.469 1.00 1.04 O ATOM 0 H SER A 35 57.071 -3.781 0.820 1.00 0.84 H new ATOM 0 HA SER A 35 59.029 -1.743 -0.058 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.577 -1.781 2.634 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.219 -1.178 2.533 1.00 0.75 H new ATOM 0 HG SER A 35 57.170 -0.253 0.754 1.00 1.04 H new ATOM 516 N ILE A 36 60.762 -3.023 1.500 1.00 0.69 N ATOM 517 CA ILE A 36 61.754 -4.062 1.899 1.00 0.78 C ATOM 518 C ILE A 36 62.390 -3.688 3.239 1.00 0.71 C ATOM 519 O ILE A 36 63.353 -2.951 3.296 1.00 0.98 O ATOM 520 CB ILE A 36 62.816 -4.090 0.788 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.245 -3.542 -0.527 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.262 -5.534 0.568 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.212 -3.846 -1.672 1.00 1.22 C ATOM 0 H ILE A 36 61.112 -2.065 1.494 1.00 0.69 H new ATOM 0 HA ILE A 36 61.287 -5.039 2.020 1.00 0.78 H new ATOM 0 HB ILE A 36 63.658 -3.467 1.092 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.273 -3.992 -0.729 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.087 -2.466 -0.447 1.00 1.09 H new ATOM 0 HG21 ILE A 36 64.016 -5.566 -0.219 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.684 -5.929 1.492 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.404 -6.139 0.273 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.805 -3.456 -2.605 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.174 -3.375 -1.471 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.347 -4.924 -1.758 1.00 1.22 H new ATOM 535 N SER A 37 61.858 -4.193 4.316 1.00 0.87 N ATOM 536 CA SER A 37 62.428 -3.869 5.653 1.00 0.87 C ATOM 537 C SER A 37 63.682 -4.709 5.904 1.00 0.76 C ATOM 538 O SER A 37 63.930 -5.688 5.229 1.00 0.87 O ATOM 539 CB SER A 37 61.326 -4.223 6.652 1.00 1.12 C ATOM 540 OG SER A 37 61.728 -5.347 7.425 1.00 1.52 O ATOM 0 H SER A 37 61.052 -4.817 4.328 1.00 0.87 H new ATOM 0 HA SER A 37 62.725 -2.824 5.737 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.125 -3.373 7.304 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.399 -4.445 6.123 1.00 1.12 H new ATOM 0 HG SER A 37 61.279 -6.151 7.091 1.00 1.52 H new ATOM 546 N THR A 38 64.479 -4.326 6.862 1.00 0.71 N ATOM 547 CA THR A 38 65.727 -5.090 7.150 1.00 0.65 C ATOM 548 C THR A 38 65.426 -6.562 7.451 1.00 0.70 C ATOM 549 O THR A 38 66.317 -7.388 7.470 1.00 1.37 O ATOM 550 CB THR A 38 66.338 -4.408 8.371 1.00 0.76 C ATOM 551 OG1 THR A 38 67.342 -5.246 8.925 1.00 1.55 O ATOM 552 CG2 THR A 38 65.250 -4.158 9.408 1.00 1.00 C ATOM 0 H THR A 38 64.320 -3.515 7.460 1.00 0.71 H new ATOM 0 HA THR A 38 66.402 -5.088 6.294 1.00 0.65 H new ATOM 0 HB THR A 38 66.782 -3.457 8.076 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.925 -5.913 9.510 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.684 -3.671 10.281 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.480 -3.516 8.980 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.806 -5.108 9.706 1.00 1.00 H new ATOM 560 N LYS A 39 64.188 -6.908 7.675 1.00 0.60 N ATOM 561 CA LYS A 39 63.865 -8.332 7.961 1.00 0.66 C ATOM 562 C LYS A 39 63.717 -9.091 6.645 1.00 0.64 C ATOM 563 O LYS A 39 64.091 -10.241 6.526 1.00 0.87 O ATOM 564 CB LYS A 39 62.537 -8.298 8.718 1.00 0.81 C ATOM 565 CG LYS A 39 62.627 -9.202 9.949 1.00 1.42 C ATOM 566 CD LYS A 39 63.194 -10.565 9.547 1.00 1.58 C ATOM 567 CE LYS A 39 63.049 -11.544 10.715 1.00 2.15 C ATOM 568 NZ LYS A 39 61.741 -12.219 10.489 1.00 2.80 N ATOM 0 H LYS A 39 63.392 -6.270 7.672 1.00 0.60 H new ATOM 0 HA LYS A 39 64.641 -8.832 8.541 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.305 -7.277 9.020 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.727 -8.630 8.068 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.263 -8.741 10.705 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.640 -9.325 10.395 1.00 1.42 H new ATOM 0 HD2 LYS A 39 62.667 -10.946 8.672 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.243 -10.467 9.269 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.867 -12.264 10.731 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.064 -11.022 11.672 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 61.569 -12.907 11.250 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 60.980 -11.510 10.485 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 61.759 -12.713 9.574 1.00 2.80 H new ATOM 582 N GLU A 40 63.165 -8.446 5.655 1.00 0.63 N ATOM 583 CA GLU A 40 62.980 -9.112 4.340 1.00 0.68 C ATOM 584 C GLU A 40 63.933 -8.517 3.297 1.00 0.66 C ATOM 585 O GLU A 40 64.161 -9.091 2.251 1.00 0.83 O ATOM 586 CB GLU A 40 61.519 -8.844 3.982 1.00 0.86 C ATOM 587 CG GLU A 40 61.298 -7.346 3.769 1.00 1.05 C ATOM 588 CD GLU A 40 60.206 -6.863 4.725 1.00 1.54 C ATOM 589 OE1 GLU A 40 60.055 -7.466 5.774 1.00 2.32 O ATOM 590 OE2 GLU A 40 59.540 -5.897 4.391 1.00 1.92 O ATOM 0 H GLU A 40 62.834 -7.483 5.703 1.00 0.63 H new ATOM 0 HA GLU A 40 63.201 -10.179 4.371 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.251 -9.391 3.078 1.00 0.86 H new ATOM 0 HB3 GLU A 40 60.869 -9.206 4.778 1.00 0.86 H new ATOM 0 HG2 GLU A 40 62.224 -6.800 3.948 1.00 1.05 H new ATOM 0 HG3 GLU A 40 61.008 -7.151 2.737 1.00 1.05 H new ATOM 597 N LEU A 41 64.497 -7.373 3.577 1.00 0.73 N ATOM 598 CA LEU A 41 65.439 -6.746 2.604 1.00 0.80 C ATOM 599 C LEU A 41 66.821 -7.398 2.715 1.00 0.72 C ATOM 600 O LEU A 41 67.608 -7.368 1.790 1.00 0.81 O ATOM 601 CB LEU A 41 65.507 -5.272 3.008 1.00 1.10 C ATOM 602 CG LEU A 41 66.723 -4.616 2.351 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.436 -3.133 2.104 1.00 1.94 C ATOM 604 CD2 LEU A 41 67.932 -4.751 3.280 1.00 1.83 C ATOM 0 H LEU A 41 64.347 -6.845 4.437 1.00 0.73 H new ATOM 0 HA LEU A 41 65.110 -6.869 1.572 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.595 -4.758 2.703 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.575 -5.184 4.092 1.00 1.10 H new ATOM 0 HG LEU A 41 66.932 -5.107 1.401 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.303 -2.668 1.636 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.572 -3.034 1.447 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.228 -2.640 3.053 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.801 -4.285 2.816 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.719 -4.258 4.228 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.138 -5.806 3.458 1.00 1.83 H new ATOM 616 N GLY A 42 67.121 -7.982 3.843 1.00 0.72 N ATOM 617 CA GLY A 42 68.451 -8.633 4.017 1.00 0.91 C ATOM 618 C GLY A 42 68.807 -9.426 2.758 1.00 0.78 C ATOM 619 O GLY A 42 69.944 -9.449 2.329 1.00 0.84 O ATOM 0 H GLY A 42 66.502 -8.037 4.652 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.213 -7.878 4.210 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.432 -9.296 4.882 1.00 0.91 H new ATOM 623 N LYS A 43 67.846 -10.077 2.164 1.00 0.77 N ATOM 624 CA LYS A 43 68.132 -10.870 0.934 1.00 0.86 C ATOM 625 C LYS A 43 68.666 -9.957 -0.174 1.00 0.79 C ATOM 626 O LYS A 43 69.448 -10.369 -1.008 1.00 0.99 O ATOM 627 CB LYS A 43 66.786 -11.475 0.531 1.00 0.95 C ATOM 628 CG LYS A 43 66.120 -12.101 1.759 1.00 1.34 C ATOM 629 CD LYS A 43 65.480 -13.435 1.367 1.00 2.13 C ATOM 630 CE LYS A 43 66.330 -14.587 1.908 1.00 2.65 C ATOM 631 NZ LYS A 43 67.537 -14.615 1.036 1.00 2.98 N ATOM 0 H LYS A 43 66.875 -10.095 2.476 1.00 0.77 H new ATOM 0 HA LYS A 43 68.889 -11.636 1.103 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.141 -10.705 0.107 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.931 -12.230 -0.242 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.857 -12.257 2.546 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.364 -11.426 2.160 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.468 -13.497 1.767 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.399 -13.507 0.282 1.00 2.13 H new ATOM 0 HE2 LYS A 43 66.600 -14.423 2.951 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.789 -15.532 1.864 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 68.013 -15.535 1.131 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 67.253 -14.473 0.046 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 68.189 -13.857 1.321 1.00 2.98 H new ATOM 645 N VAL A 44 68.252 -8.720 -0.189 1.00 0.72 N ATOM 646 CA VAL A 44 68.737 -7.781 -1.242 1.00 0.93 C ATOM 647 C VAL A 44 70.237 -7.530 -1.076 1.00 0.89 C ATOM 648 O VAL A 44 71.017 -7.740 -1.983 1.00 1.06 O ATOM 649 CB VAL A 44 67.952 -6.492 -1.013 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.350 -5.457 -2.067 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.454 -6.781 -1.125 1.00 1.80 C ATOM 0 H VAL A 44 67.598 -8.318 0.483 1.00 0.72 H new ATOM 0 HA VAL A 44 68.590 -8.176 -2.247 1.00 0.93 H new ATOM 0 HB VAL A 44 68.175 -6.103 -0.019 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.789 -4.537 -1.903 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.417 -5.250 -1.989 1.00 1.72 H new ATOM 0 HG13 VAL A 44 68.127 -5.846 -3.061 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.893 -5.861 -0.962 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.232 -7.170 -2.119 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.169 -7.518 -0.375 1.00 1.80 H new ATOM 661 N MET A 45 70.645 -7.079 0.077 1.00 0.86 N ATOM 662 CA MET A 45 72.093 -6.810 0.305 1.00 1.06 C ATOM 663 C MET A 45 72.937 -7.994 -0.176 1.00 1.08 C ATOM 664 O MET A 45 73.866 -7.836 -0.943 1.00 1.14 O ATOM 665 CB MET A 45 72.227 -6.644 1.816 1.00 1.34 C ATOM 666 CG MET A 45 71.697 -5.270 2.230 1.00 1.88 C ATOM 667 SD MET A 45 72.964 -4.395 3.182 1.00 2.45 S ATOM 668 CE MET A 45 72.935 -2.854 2.232 1.00 3.35 C ATOM 0 H MET A 45 70.038 -6.885 0.873 1.00 0.86 H new ATOM 0 HA MET A 45 72.439 -5.931 -0.239 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.671 -7.429 2.329 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.271 -6.747 2.112 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.427 -4.692 1.347 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.792 -5.382 2.827 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.739 -2.202 2.572 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.071 -3.076 1.174 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.977 -2.355 2.377 1.00 3.35 H new ATOM 678 N ARG A 46 72.622 -9.176 0.275 1.00 1.20 N ATOM 679 CA ARG A 46 73.408 -10.370 -0.147 1.00 1.46 C ATOM 680 C ARG A 46 73.402 -10.506 -1.673 1.00 1.52 C ATOM 681 O ARG A 46 74.345 -10.995 -2.262 1.00 1.73 O ATOM 682 CB ARG A 46 72.695 -11.559 0.498 1.00 1.74 C ATOM 683 CG ARG A 46 73.727 -12.475 1.157 1.00 1.93 C ATOM 684 CD ARG A 46 73.601 -13.886 0.581 1.00 2.48 C ATOM 685 NE ARG A 46 75.002 -14.378 0.458 1.00 2.64 N ATOM 686 CZ ARG A 46 75.356 -15.491 1.041 1.00 3.08 C ATOM 687 NH1 ARG A 46 75.461 -15.541 2.341 1.00 3.64 N ATOM 688 NH2 ARG A 46 75.608 -16.551 0.325 1.00 3.41 N ATOM 0 H ARG A 46 71.854 -9.368 0.918 1.00 1.20 H new ATOM 0 HA ARG A 46 74.452 -10.302 0.158 1.00 1.46 H new ATOM 0 HB2 ARG A 46 71.978 -11.208 1.240 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.131 -12.110 -0.254 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.732 -12.090 0.986 1.00 1.93 H new ATOM 0 HG3 ARG A 46 73.573 -12.496 2.236 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.013 -14.529 1.236 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.100 -13.874 -0.387 1.00 2.48 H new ATOM 0 HE ARG A 46 75.684 -13.845 -0.082 1.00 2.64 H new ATOM 0 HH11 ARG A 46 75.266 -14.711 2.901 1.00 3.64 H new ATOM 0 HH12 ARG A 46 75.738 -16.410 2.797 1.00 3.64 H new ATOM 0 HH21 ARG A 46 75.529 -16.511 -0.691 1.00 3.41 H new ATOM 0 HH22 ARG A 46 75.885 -17.420 0.781 1.00 3.41 H new ATOM 702 N MET A 47 72.349 -10.081 -2.317 1.00 1.46 N ATOM 703 CA MET A 47 72.298 -10.197 -3.804 1.00 1.73 C ATOM 704 C MET A 47 73.096 -9.058 -4.455 1.00 1.75 C ATOM 705 O MET A 47 73.637 -9.205 -5.532 1.00 2.01 O ATOM 706 CB MET A 47 70.802 -10.138 -4.162 1.00 1.70 C ATOM 707 CG MET A 47 70.391 -8.721 -4.582 1.00 1.96 C ATOM 708 SD MET A 47 70.623 -8.532 -6.367 1.00 1.94 S ATOM 709 CE MET A 47 69.205 -7.448 -6.665 1.00 1.52 C ATOM 0 H MET A 47 71.527 -9.661 -1.883 1.00 1.46 H new ATOM 0 HA MET A 47 72.748 -11.120 -4.170 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.591 -10.836 -4.972 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.207 -10.454 -3.305 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.349 -8.539 -4.318 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.989 -7.983 -4.046 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.446 -6.745 -7.462 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.344 -8.048 -6.958 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.970 -6.897 -5.754 1.00 1.52 H new ATOM 719 N LEU A 48 73.174 -7.926 -3.807 1.00 1.60 N ATOM 720 CA LEU A 48 73.939 -6.787 -4.391 1.00 1.69 C ATOM 721 C LEU A 48 75.441 -7.015 -4.207 1.00 1.68 C ATOM 722 O LEU A 48 76.258 -6.402 -4.868 1.00 1.99 O ATOM 723 CB LEU A 48 73.486 -5.553 -3.607 1.00 1.73 C ATOM 724 CG LEU A 48 71.971 -5.381 -3.741 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.505 -4.248 -2.824 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.619 -5.036 -5.191 1.00 2.15 C ATOM 0 H LEU A 48 72.742 -7.742 -2.901 1.00 1.60 H new ATOM 0 HA LEU A 48 73.759 -6.676 -5.460 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.758 -5.658 -2.557 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.996 -4.666 -3.981 1.00 1.73 H new ATOM 0 HG LEU A 48 71.475 -6.310 -3.458 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.426 -4.124 -2.918 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.754 -4.491 -1.791 1.00 1.86 H new ATOM 0 HD13 LEU A 48 72.003 -3.321 -3.109 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.540 -4.914 -5.284 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.115 -4.108 -5.475 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.951 -5.840 -5.847 1.00 2.15 H new ATOM 738 N GLY A 49 75.811 -7.891 -3.315 1.00 1.63 N ATOM 739 CA GLY A 49 77.259 -8.158 -3.087 1.00 1.87 C ATOM 740 C GLY A 49 77.693 -7.513 -1.771 1.00 1.54 C ATOM 741 O GLY A 49 78.789 -7.003 -1.650 1.00 1.53 O ATOM 0 H GLY A 49 75.173 -8.434 -2.733 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.442 -9.232 -3.056 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.848 -7.758 -3.912 1.00 1.87 H new ATOM 745 N GLN A 50 76.841 -7.530 -0.782 1.00 1.37 N ATOM 746 CA GLN A 50 77.206 -6.913 0.525 1.00 1.17 C ATOM 747 C GLN A 50 77.294 -7.987 1.614 1.00 1.24 C ATOM 748 O GLN A 50 77.255 -9.170 1.339 1.00 1.75 O ATOM 749 CB GLN A 50 76.071 -5.935 0.829 1.00 1.29 C ATOM 750 CG GLN A 50 75.980 -4.898 -0.292 1.00 1.28 C ATOM 751 CD GLN A 50 75.860 -3.499 0.313 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.350 -3.339 1.404 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.310 -2.472 -0.353 1.00 1.85 N ATOM 0 H GLN A 50 75.910 -7.944 -0.822 1.00 1.37 H new ATOM 0 HA GLN A 50 78.176 -6.417 0.491 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.127 -6.473 0.919 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.249 -5.440 1.784 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.864 -4.956 -0.927 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.118 -5.107 -0.925 1.00 1.28 H new ATOM 0 HE21 GLN A 50 76.738 -2.606 -1.269 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.234 -1.535 0.042 1.00 1.85 H new ATOM 762 N ASN A 51 77.414 -7.580 2.848 1.00 1.18 N ATOM 763 CA ASN A 51 77.506 -8.571 3.959 1.00 1.29 C ATOM 764 C ASN A 51 76.946 -7.963 5.247 1.00 1.07 C ATOM 765 O ASN A 51 77.676 -7.707 6.183 1.00 1.45 O ATOM 766 CB ASN A 51 79.000 -8.862 4.107 1.00 1.96 C ATOM 767 CG ASN A 51 79.237 -10.372 4.042 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.974 -10.997 3.034 1.00 3.07 O ATOM 769 ND2 ASN A 51 79.725 -10.989 5.083 1.00 3.29 N ATOM 0 H ASN A 51 77.452 -6.602 3.136 1.00 1.18 H new ATOM 0 HA ASN A 51 76.935 -9.477 3.758 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.558 -8.362 3.316 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.366 -8.467 5.055 1.00 1.96 H new ATOM 0 HD21 ASN A 51 79.886 -11.996 5.050 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.946 -10.465 5.929 1.00 3.29 H new ATOM 776 N PRO A 52 75.659 -7.746 5.243 1.00 1.47 N ATOM 777 CA PRO A 52 74.980 -7.152 6.420 1.00 2.11 C ATOM 778 C PRO A 52 74.897 -8.164 7.566 1.00 1.79 C ATOM 779 O PRO A 52 74.986 -9.359 7.363 1.00 2.07 O ATOM 780 CB PRO A 52 73.588 -6.811 5.894 1.00 2.97 C ATOM 781 CG PRO A 52 73.370 -7.742 4.746 1.00 2.97 C ATOM 782 CD PRO A 52 74.724 -8.030 4.150 1.00 2.03 C ATOM 0 HA PRO A 52 75.505 -6.286 6.823 1.00 2.11 H new ATOM 0 HB2 PRO A 52 72.830 -6.950 6.665 1.00 2.97 H new ATOM 0 HB3 PRO A 52 73.531 -5.770 5.575 1.00 2.97 H new ATOM 0 HG2 PRO A 52 72.892 -8.663 5.081 1.00 2.97 H new ATOM 0 HG3 PRO A 52 72.710 -7.292 4.004 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.802 -9.065 3.817 1.00 2.03 H new ATOM 0 HD3 PRO A 52 74.921 -7.400 3.282 1.00 2.03 H new ATOM 790 N THR A 53 74.721 -7.691 8.769 1.00 1.42 N ATOM 791 CA THR A 53 74.624 -8.617 9.934 1.00 1.16 C ATOM 792 C THR A 53 73.392 -8.267 10.772 1.00 0.98 C ATOM 793 O THR A 53 72.753 -7.264 10.537 1.00 0.92 O ATOM 794 CB THR A 53 75.905 -8.380 10.735 1.00 1.19 C ATOM 795 OG1 THR A 53 76.359 -7.052 10.514 1.00 1.40 O ATOM 796 CG2 THR A 53 76.980 -9.370 10.285 1.00 1.36 C ATOM 0 H THR A 53 74.640 -6.700 8.997 1.00 1.42 H new ATOM 0 HA THR A 53 74.523 -9.660 9.633 1.00 1.16 H new ATOM 0 HB THR A 53 75.703 -8.524 11.796 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.179 -6.897 11.028 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.893 -9.201 10.856 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.630 -10.388 10.454 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.184 -9.228 9.224 1.00 1.36 H new ATOM 804 N PRO A 54 73.099 -9.108 11.725 1.00 0.99 N ATOM 805 CA PRO A 54 71.925 -8.877 12.603 1.00 1.04 C ATOM 806 C PRO A 54 72.167 -7.667 13.511 1.00 0.93 C ATOM 807 O PRO A 54 71.246 -7.055 14.011 1.00 0.94 O ATOM 808 CB PRO A 54 71.826 -10.167 13.414 1.00 1.19 C ATOM 809 CG PRO A 54 73.208 -10.736 13.397 1.00 1.18 C ATOM 810 CD PRO A 54 73.821 -10.333 12.081 1.00 1.10 C ATOM 0 HA PRO A 54 71.010 -8.659 12.052 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.492 -9.969 14.433 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.108 -10.858 12.972 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.795 -10.353 14.232 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.182 -11.821 13.497 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.892 -10.154 12.176 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.693 -11.108 11.325 1.00 1.10 H new ATOM 818 N GLU A 55 73.404 -7.323 13.729 1.00 0.98 N ATOM 819 CA GLU A 55 73.712 -6.155 14.604 1.00 1.08 C ATOM 820 C GLU A 55 73.643 -4.844 13.810 1.00 0.97 C ATOM 821 O GLU A 55 73.263 -3.814 14.328 1.00 1.01 O ATOM 822 CB GLU A 55 75.137 -6.402 15.100 1.00 1.28 C ATOM 823 CG GLU A 55 75.168 -6.340 16.629 1.00 2.15 C ATOM 824 CD GLU A 55 75.915 -7.559 17.173 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.030 -8.532 16.445 1.00 2.81 O ATOM 826 OE2 GLU A 55 76.361 -7.499 18.307 1.00 3.14 O ATOM 0 H GLU A 55 74.217 -7.799 13.340 1.00 0.98 H new ATOM 0 HA GLU A 55 72.998 -6.060 15.422 1.00 1.08 H new ATOM 0 HB2 GLU A 55 75.488 -7.376 14.759 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.813 -5.656 14.682 1.00 1.28 H new ATOM 0 HG2 GLU A 55 75.658 -5.423 16.957 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.152 -6.317 17.023 1.00 2.15 H new ATOM 833 N GLU A 56 74.037 -4.870 12.563 1.00 0.92 N ATOM 834 CA GLU A 56 74.025 -3.617 11.748 1.00 0.94 C ATOM 835 C GLU A 56 72.705 -3.437 10.986 1.00 0.84 C ATOM 836 O GLU A 56 72.146 -2.359 10.954 1.00 0.94 O ATOM 837 CB GLU A 56 75.184 -3.785 10.767 1.00 1.06 C ATOM 838 CG GLU A 56 76.453 -3.175 11.366 1.00 1.60 C ATOM 839 CD GLU A 56 77.366 -2.686 10.240 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.415 -3.346 9.216 1.00 2.50 O ATOM 841 OE2 GLU A 56 78.000 -1.660 10.422 1.00 2.08 O ATOM 0 H GLU A 56 74.366 -5.703 12.074 1.00 0.92 H new ATOM 0 HA GLU A 56 74.124 -2.734 12.379 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.342 -4.842 10.552 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.946 -3.300 9.820 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.195 -2.346 12.025 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.973 -3.915 11.974 1.00 1.60 H new ATOM 848 N LEU A 57 72.211 -4.470 10.355 1.00 0.73 N ATOM 849 CA LEU A 57 70.939 -4.333 9.578 1.00 0.78 C ATOM 850 C LEU A 57 69.923 -3.468 10.339 1.00 0.80 C ATOM 851 O LEU A 57 69.058 -2.852 9.750 1.00 0.89 O ATOM 852 CB LEU A 57 70.422 -5.767 9.377 1.00 0.85 C ATOM 853 CG LEU A 57 69.452 -6.161 10.498 1.00 0.84 C ATOM 854 CD1 LEU A 57 68.883 -7.550 10.212 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.191 -6.182 11.836 1.00 1.10 C ATOM 0 H LEU A 57 72.630 -5.400 10.343 1.00 0.73 H new ATOM 0 HA LEU A 57 71.099 -3.834 8.622 1.00 0.78 H new ATOM 0 HB2 LEU A 57 69.920 -5.845 8.412 1.00 0.85 H new ATOM 0 HB3 LEU A 57 71.262 -6.461 9.357 1.00 0.85 H new ATOM 0 HG LEU A 57 68.641 -5.434 10.545 1.00 0.84 H new ATOM 0 HD11 LEU A 57 68.193 -7.832 11.008 1.00 1.30 H new ATOM 0 HD12 LEU A 57 68.353 -7.537 9.260 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.697 -8.274 10.164 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.499 -6.462 12.630 1.00 1.10 H new ATOM 0 HD22 LEU A 57 71.004 -6.907 11.791 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.598 -5.192 12.042 1.00 1.10 H new ATOM 867 N GLN A 58 70.022 -3.415 11.638 1.00 0.81 N ATOM 868 CA GLN A 58 69.063 -2.587 12.424 1.00 0.95 C ATOM 869 C GLN A 58 69.688 -1.228 12.744 1.00 0.99 C ATOM 870 O GLN A 58 68.999 -0.253 12.974 1.00 1.13 O ATOM 871 CB GLN A 58 68.817 -3.381 13.706 1.00 1.09 C ATOM 872 CG GLN A 58 67.970 -2.547 14.668 1.00 1.25 C ATOM 873 CD GLN A 58 66.616 -2.245 14.024 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.658 -2.966 14.231 1.00 1.97 O ATOM 875 NE2 GLN A 58 66.494 -1.205 13.245 1.00 1.74 N ATOM 0 H GLN A 58 70.724 -3.908 12.189 1.00 0.81 H new ATOM 0 HA GLN A 58 68.137 -2.393 11.882 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.308 -4.317 13.475 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.767 -3.641 14.173 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.827 -3.086 15.605 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.485 -1.617 14.911 1.00 1.25 H new ATOM 0 HE21 GLN A 58 67.297 -0.601 13.072 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.595 -0.997 12.810 1.00 1.74 H new ATOM 884 N GLU A 59 70.991 -1.156 12.761 1.00 0.97 N ATOM 885 CA GLU A 59 71.666 0.138 13.065 1.00 1.14 C ATOM 886 C GLU A 59 71.700 1.023 11.817 1.00 1.11 C ATOM 887 O GLU A 59 71.453 2.211 11.881 1.00 1.18 O ATOM 888 CB GLU A 59 73.082 -0.249 13.492 1.00 1.23 C ATOM 889 CG GLU A 59 73.870 1.013 13.845 1.00 1.60 C ATOM 890 CD GLU A 59 74.870 1.319 12.730 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.429 1.647 11.640 1.00 2.75 O ATOM 892 OE2 GLU A 59 76.059 1.220 12.983 1.00 2.77 O ATOM 0 H GLU A 59 71.618 -1.939 12.577 1.00 0.97 H new ATOM 0 HA GLU A 59 71.148 0.705 13.838 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.044 -0.919 14.351 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.581 -0.789 12.688 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.189 1.854 13.978 1.00 1.60 H new ATOM 0 HG3 GLU A 59 74.395 0.874 14.790 1.00 1.60 H new ATOM 899 N MET A 60 72.001 0.457 10.680 1.00 1.11 N ATOM 900 CA MET A 60 72.044 1.273 9.434 1.00 1.18 C ATOM 901 C MET A 60 70.729 2.038 9.267 1.00 1.13 C ATOM 902 O MET A 60 70.710 3.252 9.203 1.00 1.25 O ATOM 903 CB MET A 60 72.228 0.263 8.300 1.00 1.22 C ATOM 904 CG MET A 60 73.721 0.022 8.069 1.00 1.62 C ATOM 905 SD MET A 60 74.454 1.482 7.290 1.00 1.82 S ATOM 906 CE MET A 60 75.271 0.624 5.921 1.00 2.02 C ATOM 0 H MET A 60 72.218 -0.532 10.560 1.00 1.11 H new ATOM 0 HA MET A 60 72.845 2.012 9.449 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.732 -0.675 8.550 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.763 0.636 7.387 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.218 -0.186 9.017 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.865 -0.853 7.435 1.00 1.62 H new ATOM 0 HE1 MET A 60 76.169 1.171 5.633 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.544 -0.384 6.234 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.592 0.568 5.070 1.00 2.02 H new ATOM 916 N ILE A 61 69.629 1.339 9.202 1.00 1.04 N ATOM 917 CA ILE A 61 68.319 2.032 9.047 1.00 1.11 C ATOM 918 C ILE A 61 68.049 2.914 10.270 1.00 1.23 C ATOM 919 O ILE A 61 67.387 3.926 10.179 1.00 1.40 O ATOM 920 CB ILE A 61 67.284 0.907 8.940 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.238 0.400 7.498 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.900 1.430 9.333 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.617 -1.079 7.467 1.00 1.14 C ATOM 0 H ILE A 61 69.581 0.321 9.249 1.00 1.04 H new ATOM 0 HA ILE A 61 68.290 2.685 8.175 1.00 1.11 H new ATOM 0 HB ILE A 61 67.566 0.096 9.612 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.239 0.539 7.084 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.924 0.976 6.877 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.171 0.624 9.254 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.927 1.796 10.360 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.615 2.243 8.666 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.585 -1.441 6.440 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.624 -1.205 7.865 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.913 -1.648 8.075 1.00 1.14 H new ATOM 935 N ASP A 62 68.555 2.537 11.413 1.00 1.23 N ATOM 936 CA ASP A 62 68.325 3.357 12.641 1.00 1.43 C ATOM 937 C ASP A 62 68.440 4.848 12.315 1.00 1.48 C ATOM 938 O ASP A 62 67.662 5.657 12.782 1.00 1.67 O ATOM 939 CB ASP A 62 69.427 2.934 13.612 1.00 1.51 C ATOM 940 CG ASP A 62 68.826 2.704 15.000 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.131 3.586 15.477 1.00 1.79 O ATOM 942 OD2 ASP A 62 69.071 1.650 15.563 1.00 2.13 O ATOM 0 H ASP A 62 69.118 1.697 11.551 1.00 1.23 H new ATOM 0 HA ASP A 62 67.330 3.201 13.059 1.00 1.43 H new ATOM 0 HB2 ASP A 62 69.908 2.023 13.257 1.00 1.51 H new ATOM 0 HB3 ASP A 62 70.198 3.703 13.661 1.00 1.51 H new ATOM 947 N GLU A 63 69.404 5.219 11.518 1.00 1.41 N ATOM 948 CA GLU A 63 69.564 6.661 11.165 1.00 1.52 C ATOM 949 C GLU A 63 68.841 6.972 9.849 1.00 1.47 C ATOM 950 O GLU A 63 68.401 8.080 9.619 1.00 1.80 O ATOM 951 CB GLU A 63 71.072 6.864 11.009 1.00 1.55 C ATOM 952 CG GLU A 63 71.648 7.415 12.316 1.00 2.11 C ATOM 953 CD GLU A 63 72.003 8.893 12.134 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.256 9.582 11.459 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.014 9.310 12.674 1.00 2.93 O ATOM 0 H GLU A 63 70.087 4.589 11.096 1.00 1.41 H new ATOM 0 HA GLU A 63 69.138 7.320 11.922 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.553 5.919 10.756 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.275 7.554 10.190 1.00 1.55 H new ATOM 0 HG2 GLU A 63 70.923 7.301 13.122 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.535 6.849 12.602 1.00 2.11 H new ATOM 962 N VAL A 64 68.717 6.002 8.985 1.00 1.33 N ATOM 963 CA VAL A 64 68.026 6.237 7.684 1.00 1.29 C ATOM 964 C VAL A 64 66.509 6.116 7.864 1.00 1.21 C ATOM 965 O VAL A 64 65.738 6.536 7.025 1.00 1.50 O ATOM 966 CB VAL A 64 68.579 5.145 6.753 1.00 1.40 C ATOM 967 CG1 VAL A 64 67.473 4.552 5.871 1.00 1.69 C ATOM 968 CG2 VAL A 64 69.651 5.761 5.862 1.00 1.31 C ATOM 0 H VAL A 64 69.065 5.053 9.124 1.00 1.33 H new ATOM 0 HA VAL A 64 68.202 7.234 7.279 1.00 1.29 H new ATOM 0 HB VAL A 64 68.995 4.343 7.364 1.00 1.40 H new ATOM 0 HG11 VAL A 64 67.896 3.783 5.225 1.00 1.69 H new ATOM 0 HG12 VAL A 64 66.701 4.111 6.502 1.00 1.69 H new ATOM 0 HG13 VAL A 64 67.034 5.340 5.259 1.00 1.69 H new ATOM 0 HG21 VAL A 64 70.053 4.998 5.196 1.00 1.31 H new ATOM 0 HG22 VAL A 64 69.214 6.566 5.271 1.00 1.31 H new ATOM 0 HG23 VAL A 64 70.454 6.161 6.482 1.00 1.31 H new ATOM 978 N ASP A 65 66.082 5.538 8.947 1.00 1.27 N ATOM 979 CA ASP A 65 64.619 5.378 9.183 1.00 1.38 C ATOM 980 C ASP A 65 63.941 6.746 9.283 1.00 2.07 C ATOM 981 O ASP A 65 63.529 7.169 10.344 1.00 2.61 O ATOM 982 CB ASP A 65 64.512 4.630 10.512 1.00 1.38 C ATOM 983 CG ASP A 65 63.781 3.304 10.295 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.019 3.220 9.345 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.994 2.397 11.081 1.00 2.59 O ATOM 0 H ASP A 65 66.683 5.167 9.683 1.00 1.27 H new ATOM 0 HA ASP A 65 64.129 4.842 8.370 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.506 4.447 10.919 1.00 1.38 H new ATOM 0 HB3 ASP A 65 63.976 5.238 11.241 1.00 1.38 H new ATOM 990 N GLU A 66 63.820 7.442 8.184 1.00 2.65 N ATOM 991 CA GLU A 66 63.165 8.782 8.223 1.00 3.74 C ATOM 992 C GLU A 66 61.840 8.702 8.988 1.00 4.00 C ATOM 993 O GLU A 66 61.340 9.691 9.486 1.00 4.93 O ATOM 994 CB GLU A 66 62.914 9.146 6.758 1.00 4.58 C ATOM 995 CG GLU A 66 64.133 9.883 6.199 1.00 5.25 C ATOM 996 CD GLU A 66 63.670 11.089 5.379 1.00 6.17 C ATOM 997 OE1 GLU A 66 63.204 10.883 4.270 1.00 6.61 O ATOM 998 OE2 GLU A 66 63.792 12.198 5.872 1.00 6.67 O ATOM 0 H GLU A 66 64.145 7.142 7.265 1.00 2.65 H new ATOM 0 HA GLU A 66 63.781 9.526 8.728 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.722 8.245 6.176 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.027 9.774 6.675 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.778 10.210 7.014 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.723 9.211 5.576 1.00 5.25 H new ATOM 1005 N ASP A 67 61.269 7.532 9.085 1.00 3.32 N ATOM 1006 CA ASP A 67 59.977 7.392 9.818 1.00 3.69 C ATOM 1007 C ASP A 67 60.143 6.441 11.008 1.00 3.25 C ATOM 1008 O ASP A 67 59.244 6.271 11.808 1.00 3.49 O ATOM 1009 CB ASP A 67 59.003 6.809 8.793 1.00 3.68 C ATOM 1010 CG ASP A 67 59.667 5.638 8.067 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.711 5.200 8.521 1.00 2.33 O ATOM 1012 OD2 ASP A 67 59.120 5.199 7.069 1.00 3.83 O ATOM 0 H ASP A 67 61.640 6.668 8.689 1.00 3.32 H new ATOM 0 HA ASP A 67 59.624 8.342 10.220 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.093 6.473 9.290 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.710 7.576 8.076 1.00 3.68 H new ATOM 1017 N GLY A 68 61.286 5.825 11.133 1.00 2.98 N ATOM 1018 CA GLY A 68 61.510 4.890 12.273 1.00 3.17 C ATOM 1019 C GLY A 68 60.556 3.698 12.160 1.00 2.42 C ATOM 1020 O GLY A 68 59.659 3.533 12.962 1.00 3.05 O ATOM 0 H GLY A 68 62.075 5.928 10.495 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.543 4.542 12.273 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.349 5.409 13.218 1.00 3.17 H new ATOM 1024 N SER A 69 60.744 2.866 11.172 1.00 1.46 N ATOM 1025 CA SER A 69 59.847 1.685 11.012 1.00 1.52 C ATOM 1026 C SER A 69 60.650 0.468 10.544 1.00 1.64 C ATOM 1027 O SER A 69 60.096 -0.540 10.156 1.00 2.49 O ATOM 1028 CB SER A 69 58.833 2.099 9.946 1.00 2.44 C ATOM 1029 OG SER A 69 59.499 2.818 8.917 1.00 2.71 O ATOM 0 H SER A 69 61.479 2.952 10.470 1.00 1.46 H new ATOM 0 HA SER A 69 59.364 1.405 11.948 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.344 1.218 9.531 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.053 2.717 10.391 1.00 2.44 H new ATOM 0 HG SER A 69 59.855 2.188 8.255 1.00 2.71 H new ATOM 1035 N GLY A 70 61.953 0.554 10.577 1.00 1.28 N ATOM 1036 CA GLY A 70 62.787 -0.598 10.133 1.00 1.43 C ATOM 1037 C GLY A 70 62.333 -1.048 8.744 1.00 1.29 C ATOM 1038 O GLY A 70 62.512 -2.187 8.360 1.00 1.59 O ATOM 0 H GLY A 70 62.475 1.372 10.892 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.839 -0.312 10.109 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.697 -1.421 10.842 1.00 1.43 H new ATOM 1042 N THR A 71 61.746 -0.163 7.986 1.00 0.89 N ATOM 1043 CA THR A 71 61.280 -0.540 6.622 1.00 0.79 C ATOM 1044 C THR A 71 61.961 0.338 5.568 1.00 0.76 C ATOM 1045 O THR A 71 62.306 1.475 5.823 1.00 0.83 O ATOM 1046 CB THR A 71 59.770 -0.289 6.635 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.511 0.993 7.192 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.078 -1.362 7.478 1.00 1.08 C ATOM 0 H THR A 71 61.569 0.805 8.253 1.00 0.89 H new ATOM 0 HA THR A 71 61.519 -1.575 6.376 1.00 0.79 H new ATOM 0 HB THR A 71 59.386 -0.329 5.616 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.545 1.157 7.200 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.003 -1.181 7.486 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.278 -2.345 7.051 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.460 -1.325 8.498 1.00 1.08 H new ATOM 1056 N VAL A 72 62.155 -0.180 4.385 1.00 0.73 N ATOM 1057 CA VAL A 72 62.812 0.629 3.318 1.00 0.77 C ATOM 1058 C VAL A 72 62.049 0.483 1.997 1.00 0.80 C ATOM 1059 O VAL A 72 62.116 -0.537 1.339 1.00 1.00 O ATOM 1060 CB VAL A 72 64.221 0.049 3.192 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.906 0.632 1.954 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.033 0.411 4.438 1.00 1.13 C ATOM 0 H VAL A 72 61.888 -1.126 4.112 1.00 0.73 H new ATOM 0 HA VAL A 72 62.830 1.692 3.557 1.00 0.77 H new ATOM 0 HB VAL A 72 64.160 -1.035 3.097 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.910 0.218 1.865 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.329 0.378 1.065 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.968 1.716 2.049 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.038 -0.002 4.350 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.093 1.495 4.531 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.547 -0.003 5.322 1.00 1.13 H new ATOM 1072 N ASP A 73 61.324 1.496 1.606 1.00 0.77 N ATOM 1073 CA ASP A 73 60.557 1.417 0.328 1.00 0.83 C ATOM 1074 C ASP A 73 61.361 2.050 -0.810 1.00 0.87 C ATOM 1075 O ASP A 73 62.554 2.256 -0.702 1.00 0.87 O ATOM 1076 CB ASP A 73 59.277 2.213 0.587 1.00 0.85 C ATOM 1077 CG ASP A 73 58.164 1.707 -0.332 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.471 0.956 -1.243 1.00 2.47 O ATOM 1079 OD2 ASP A 73 57.024 2.081 -0.109 1.00 2.57 O ATOM 0 H ASP A 73 61.229 2.375 2.115 1.00 0.77 H new ATOM 0 HA ASP A 73 60.346 0.389 0.034 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.977 2.109 1.630 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.454 3.274 0.410 1.00 0.85 H new ATOM 1084 N PHE A 74 60.717 2.363 -1.903 1.00 0.94 N ATOM 1085 CA PHE A 74 61.445 2.986 -3.046 1.00 0.98 C ATOM 1086 C PHE A 74 61.923 4.388 -2.661 1.00 0.86 C ATOM 1087 O PHE A 74 61.506 5.378 -3.229 1.00 0.83 O ATOM 1088 CB PHE A 74 60.417 3.053 -4.177 1.00 1.12 C ATOM 1089 CG PHE A 74 60.934 3.946 -5.279 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.312 4.054 -5.504 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.036 4.668 -6.073 1.00 1.97 C ATOM 1092 CE1 PHE A 74 62.791 4.883 -6.525 1.00 3.01 C ATOM 1093 CE2 PHE A 74 60.514 5.497 -7.095 1.00 2.84 C ATOM 1094 CZ PHE A 74 61.892 5.605 -7.320 1.00 3.18 C ATOM 0 H PHE A 74 59.719 2.214 -2.053 1.00 0.94 H new ATOM 0 HA PHE A 74 62.330 2.420 -3.337 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.224 2.053 -4.566 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.470 3.437 -3.799 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.005 3.498 -4.890 1.00 2.22 H new ATOM 0 HD2 PHE A 74 58.974 4.586 -5.897 1.00 1.97 H new ATOM 0 HE1 PHE A 74 63.854 4.966 -6.700 1.00 3.01 H new ATOM 0 HE2 PHE A 74 59.821 6.053 -7.709 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.262 6.245 -8.107 1.00 3.18 H new ATOM 1104 N ASP A 75 62.799 4.475 -1.700 1.00 0.83 N ATOM 1105 CA ASP A 75 63.316 5.805 -1.270 1.00 0.76 C ATOM 1106 C ASP A 75 64.499 5.610 -0.320 1.00 0.69 C ATOM 1107 O ASP A 75 65.621 5.954 -0.633 1.00 0.65 O ATOM 1108 CB ASP A 75 62.146 6.476 -0.550 1.00 0.81 C ATOM 1109 CG ASP A 75 62.643 7.722 0.184 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.402 7.567 1.127 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.257 8.811 -0.209 1.00 1.57 O ATOM 0 H ASP A 75 63.182 3.678 -1.191 1.00 0.83 H new ATOM 0 HA ASP A 75 63.668 6.409 -2.106 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.372 6.749 -1.268 1.00 0.81 H new ATOM 0 HB3 ASP A 75 61.694 5.781 0.157 1.00 0.81 H new ATOM 1116 N GLU A 76 64.261 5.044 0.832 1.00 0.77 N ATOM 1117 CA GLU A 76 65.379 4.810 1.785 1.00 0.78 C ATOM 1118 C GLU A 76 66.403 3.884 1.131 1.00 0.70 C ATOM 1119 O GLU A 76 67.579 3.919 1.438 1.00 0.70 O ATOM 1120 CB GLU A 76 64.739 4.134 2.998 1.00 0.95 C ATOM 1121 CG GLU A 76 63.635 5.031 3.559 1.00 1.51 C ATOM 1122 CD GLU A 76 63.022 4.376 4.798 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.702 3.573 5.416 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.884 4.689 5.108 1.00 1.94 O ATOM 0 H GLU A 76 63.343 4.735 1.152 1.00 0.77 H new ATOM 0 HA GLU A 76 65.894 5.728 2.069 1.00 0.78 H new ATOM 0 HB2 GLU A 76 64.326 3.166 2.713 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.493 3.946 3.762 1.00 0.95 H new ATOM 0 HG2 GLU A 76 64.042 6.009 3.816 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.866 5.194 2.804 1.00 1.51 H new ATOM 1131 N PHE A 77 65.959 3.062 0.219 1.00 0.72 N ATOM 1132 CA PHE A 77 66.896 2.136 -0.474 1.00 0.73 C ATOM 1133 C PHE A 77 67.993 2.940 -1.175 1.00 0.67 C ATOM 1134 O PHE A 77 69.161 2.805 -0.875 1.00 0.69 O ATOM 1135 CB PHE A 77 66.038 1.389 -1.497 1.00 0.84 C ATOM 1136 CG PHE A 77 66.763 0.142 -1.947 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.918 -0.936 -1.066 1.00 1.83 C ATOM 1138 CD2 PHE A 77 67.280 0.065 -3.246 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.590 -2.091 -1.485 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.953 -1.090 -3.664 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.108 -2.168 -2.784 1.00 1.46 C ATOM 0 H PHE A 77 64.985 2.993 -0.076 1.00 0.72 H new ATOM 0 HA PHE A 77 67.389 1.450 0.214 1.00 0.73 H new ATOM 0 HB2 PHE A 77 65.076 1.125 -1.057 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.832 2.032 -2.353 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.519 -0.876 -0.064 1.00 1.83 H new ATOM 0 HD2 PHE A 77 67.160 0.896 -3.925 1.00 1.32 H new ATOM 0 HE1 PHE A 77 67.709 -2.923 -0.806 1.00 2.03 H new ATOM 0 HE2 PHE A 77 68.353 -1.149 -4.666 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.627 -3.059 -3.107 1.00 1.46 H new ATOM 1151 N LEU A 78 67.627 3.787 -2.099 1.00 0.66 N ATOM 1152 CA LEU A 78 68.657 4.602 -2.802 1.00 0.68 C ATOM 1153 C LEU A 78 69.444 5.422 -1.779 1.00 0.62 C ATOM 1154 O LEU A 78 70.560 5.834 -2.022 1.00 0.64 O ATOM 1155 CB LEU A 78 67.871 5.514 -3.746 1.00 0.77 C ATOM 1156 CG LEU A 78 66.973 4.665 -4.650 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.453 5.523 -5.806 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.774 3.490 -5.213 1.00 1.41 C ATOM 0 H LEU A 78 66.665 3.949 -2.396 1.00 0.66 H new ATOM 0 HA LEU A 78 69.377 3.992 -3.348 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.266 6.215 -3.171 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.557 6.106 -4.351 1.00 0.77 H new ATOM 0 HG LEU A 78 66.132 4.287 -4.068 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.814 4.918 -6.449 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.879 6.360 -5.408 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.295 5.903 -6.385 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.133 2.887 -5.856 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.616 3.868 -5.792 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.145 2.876 -4.392 1.00 1.41 H new ATOM 1170 N VAL A 79 68.870 5.648 -0.629 1.00 0.59 N ATOM 1171 CA VAL A 79 69.583 6.428 0.421 1.00 0.61 C ATOM 1172 C VAL A 79 70.451 5.488 1.259 1.00 0.63 C ATOM 1173 O VAL A 79 71.363 5.908 1.942 1.00 0.68 O ATOM 1174 CB VAL A 79 68.475 7.045 1.274 1.00 0.63 C ATOM 1175 CG1 VAL A 79 69.095 7.868 2.405 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.610 7.952 0.398 1.00 0.70 C ATOM 0 H VAL A 79 67.937 5.326 -0.371 1.00 0.59 H new ATOM 0 HA VAL A 79 70.243 7.190 0.005 1.00 0.61 H new ATOM 0 HB VAL A 79 67.860 6.253 1.701 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.303 8.307 3.012 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.714 7.222 3.028 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.710 8.662 1.982 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.818 8.394 1.003 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.227 8.744 -0.027 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.167 7.366 -0.407 1.00 0.70 H new ATOM 1186 N MET A 80 70.172 4.213 1.205 1.00 0.65 N ATOM 1187 CA MET A 80 70.979 3.236 1.991 1.00 0.72 C ATOM 1188 C MET A 80 72.334 3.013 1.315 1.00 0.71 C ATOM 1189 O MET A 80 73.250 2.472 1.903 1.00 0.76 O ATOM 1190 CB MET A 80 70.156 1.947 1.988 1.00 0.80 C ATOM 1191 CG MET A 80 69.534 1.733 3.369 1.00 1.12 C ATOM 1192 SD MET A 80 70.007 0.103 3.999 1.00 2.17 S ATOM 1193 CE MET A 80 68.334 -0.526 4.283 1.00 2.77 C ATOM 0 H MET A 80 69.419 3.806 0.650 1.00 0.65 H new ATOM 0 HA MET A 80 71.181 3.584 3.004 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.374 2.004 1.231 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.790 1.099 1.728 1.00 0.80 H new ATOM 0 HG2 MET A 80 69.869 2.511 4.055 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.448 1.809 3.306 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.388 -1.552 4.646 1.00 2.77 H new ATOM 0 HE2 MET A 80 67.833 0.096 5.025 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.772 -0.501 3.349 1.00 2.77 H new ATOM 1203 N MET A 81 72.473 3.437 0.089 1.00 0.69 N ATOM 1204 CA MET A 81 73.778 3.261 -0.616 1.00 0.74 C ATOM 1205 C MET A 81 74.503 4.605 -0.693 1.00 0.75 C ATOM 1206 O MET A 81 75.716 4.667 -0.729 1.00 0.82 O ATOM 1207 CB MET A 81 73.482 2.729 -2.038 1.00 0.73 C ATOM 1208 CG MET A 81 71.977 2.542 -2.283 1.00 0.89 C ATOM 1209 SD MET A 81 71.354 1.204 -1.234 1.00 1.41 S ATOM 1210 CE MET A 81 72.343 -0.128 -1.957 1.00 1.21 C ATOM 0 H MET A 81 71.743 3.897 -0.455 1.00 0.69 H new ATOM 0 HA MET A 81 74.415 2.557 -0.080 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.886 3.423 -2.775 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.993 1.777 -2.182 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.445 3.468 -2.064 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.795 2.310 -3.332 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.770 -1.055 -1.943 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.598 0.125 -2.986 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.257 -0.258 -1.378 1.00 1.21 H new ATOM 1220 N VAL A 82 73.770 5.685 -0.704 1.00 0.72 N ATOM 1221 CA VAL A 82 74.421 7.024 -0.763 1.00 0.78 C ATOM 1222 C VAL A 82 75.243 7.251 0.507 1.00 0.81 C ATOM 1223 O VAL A 82 76.108 8.102 0.559 1.00 0.93 O ATOM 1224 CB VAL A 82 73.268 8.025 -0.841 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.829 9.447 -0.899 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.441 7.752 -2.099 1.00 1.36 C ATOM 0 H VAL A 82 72.751 5.698 -0.675 1.00 0.72 H new ATOM 0 HA VAL A 82 75.098 7.123 -1.611 1.00 0.78 H new ATOM 0 HB VAL A 82 72.636 7.920 0.041 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.007 10.160 -0.955 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.419 9.642 -0.003 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.462 9.553 -1.780 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.619 8.465 -2.156 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.074 7.857 -2.980 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.041 6.739 -2.059 1.00 1.36 H new ATOM 1236 N ARG A 83 74.975 6.490 1.532 1.00 0.79 N ATOM 1237 CA ARG A 83 75.733 6.649 2.805 1.00 0.85 C ATOM 1238 C ARG A 83 76.548 5.386 3.087 1.00 0.90 C ATOM 1239 O ARG A 83 77.391 5.359 3.962 1.00 1.00 O ATOM 1240 CB ARG A 83 74.662 6.850 3.877 1.00 0.87 C ATOM 1241 CG ARG A 83 75.291 6.703 5.264 1.00 1.07 C ATOM 1242 CD ARG A 83 74.385 7.361 6.307 1.00 0.92 C ATOM 1243 NE ARG A 83 75.298 7.750 7.418 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.662 8.995 7.560 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.820 9.870 8.036 1.00 2.49 N ATOM 1246 NH2 ARG A 83 76.868 9.364 7.227 1.00 2.14 N ATOM 0 H ARG A 83 74.261 5.762 1.543 1.00 0.79 H new ATOM 0 HA ARG A 83 76.436 7.481 2.772 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.211 7.837 3.774 1.00 0.87 H new ATOM 0 HB3 ARG A 83 73.863 6.119 3.749 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.431 5.648 5.502 1.00 1.07 H new ATOM 0 HG3 ARG A 83 76.277 7.167 5.279 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.873 8.230 5.894 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.614 6.672 6.652 1.00 0.92 H new ATOM 0 HE ARG A 83 75.639 7.042 8.069 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.877 9.581 8.297 1.00 2.49 H new ATOM 0 HH12 ARG A 83 75.104 10.843 8.147 1.00 2.49 H new ATOM 0 HH21 ARG A 83 77.527 8.679 6.856 1.00 2.14 H new ATOM 0 HH22 ARG A 83 77.152 10.337 7.338 1.00 2.14 H new ATOM 1260 N SER A 84 76.302 4.338 2.349 1.00 0.92 N ATOM 1261 CA SER A 84 77.060 3.073 2.568 1.00 1.01 C ATOM 1262 C SER A 84 77.758 2.649 1.273 1.00 1.06 C ATOM 1263 O SER A 84 78.446 1.648 1.226 1.00 1.38 O ATOM 1264 CB SER A 84 76.006 2.045 2.972 1.00 1.04 C ATOM 1265 OG SER A 84 74.967 2.696 3.693 1.00 1.52 O ATOM 0 H SER A 84 75.608 4.303 1.603 1.00 0.92 H new ATOM 0 HA SER A 84 77.835 3.179 3.327 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.599 1.557 2.086 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.458 1.266 3.586 1.00 1.04 H new ATOM 0 HG SER A 84 74.121 2.597 3.209 1.00 1.52 H new ATOM 1271 N MET A 85 77.587 3.403 0.221 1.00 0.00 N ATOM 1272 CA MET A 85 78.240 3.042 -1.069 1.00 0.00 C ATOM 1273 C MET A 85 79.737 2.803 -0.855 1.00 0.00 C ATOM 1274 O MET A 85 80.178 1.684 -0.680 1.00 0.00 O ATOM 1275 CB MET A 85 78.014 4.252 -1.978 1.00 0.00 C ATOM 1276 CG MET A 85 76.911 3.933 -2.988 1.00 0.00 C ATOM 1277 SD MET A 85 77.626 3.834 -4.649 1.00 0.00 S ATOM 1278 CE MET A 85 76.085 3.500 -5.538 1.00 0.00 C ATOM 0 H MET A 85 77.024 4.253 0.199 1.00 0.00 H new ATOM 0 HA MET A 85 77.831 2.127 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.735 5.121 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.937 4.506 -2.500 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.429 2.990 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.141 4.703 -2.957 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.162 2.542 -6.053 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.257 3.466 -4.830 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.907 4.290 -6.267 1.00 0.00 H new ATOM 1288 N LYS A 86 80.522 3.846 -0.868 1.00 0.00 N ATOM 1289 CA LYS A 86 81.990 3.675 -0.666 1.00 0.00 C ATOM 1290 C LYS A 86 82.487 4.590 0.459 1.00 0.00 C ATOM 1291 O LYS A 86 83.599 4.459 0.930 1.00 0.00 O ATOM 1292 CB LYS A 86 82.625 4.070 -2.001 1.00 0.00 C ATOM 1293 CG LYS A 86 81.968 5.350 -2.524 1.00 0.00 C ATOM 1294 CD LYS A 86 82.834 5.955 -3.631 1.00 0.00 C ATOM 1295 CE LYS A 86 82.345 5.455 -4.993 1.00 0.00 C ATOM 1296 NZ LYS A 86 82.651 6.561 -5.943 1.00 0.00 N ATOM 0 H LYS A 86 80.212 4.807 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 86 82.247 2.656 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.696 4.225 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.503 3.265 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.972 5.129 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.845 6.066 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.785 7.043 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 86 83.878 5.678 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 86 82.854 4.535 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 86 81.277 5.236 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.344 6.292 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 82.148 7.422 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.675 6.742 -5.946 1.00 0.00 H new ATOM 1310 N ASP A 87 81.673 5.513 0.894 1.00 0.00 N ATOM 1311 CA ASP A 87 82.103 6.432 1.988 1.00 0.00 C ATOM 1312 C ASP A 87 83.546 6.890 1.758 1.00 0.00 C ATOM 1313 O ASP A 87 84.376 6.826 2.643 1.00 0.00 O ATOM 1314 CB ASP A 87 82.002 5.599 3.267 1.00 0.00 C ATOM 1315 CG ASP A 87 81.013 6.257 4.231 1.00 0.00 C ATOM 1316 OD1 ASP A 87 81.362 7.276 4.803 1.00 0.00 O ATOM 1317 OD2 ASP A 87 79.923 5.730 4.382 1.00 0.00 O ATOM 0 H ASP A 87 80.730 5.671 0.540 1.00 0.00 H new ATOM 0 HA ASP A 87 81.489 7.331 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 87 81.675 4.587 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 87 82.982 5.515 3.737 1.00 0.00 H new ATOM 1322 N ASP A 88 83.853 7.350 0.574 1.00 0.00 N ATOM 1323 CA ASP A 88 85.244 7.810 0.291 1.00 0.00 C ATOM 1324 C ASP A 88 85.302 8.519 -1.066 1.00 0.00 C ATOM 1325 O ASP A 88 85.502 9.714 -1.144 1.00 0.00 O ATOM 1326 CB ASP A 88 86.083 6.532 0.266 1.00 0.00 C ATOM 1327 CG ASP A 88 87.455 6.832 -0.342 1.00 0.00 C ATOM 1328 OD1 ASP A 88 87.808 7.997 -0.413 1.00 0.00 O ATOM 1329 OD2 ASP A 88 88.129 5.890 -0.726 1.00 0.00 O ATOM 0 H ASP A 88 83.202 7.427 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 88 85.605 8.521 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 88 86.199 6.141 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.576 5.763 -0.317 1.00 0.00 H new ATOM 1334 N SER A 89 85.129 7.791 -2.135 1.00 0.00 N ATOM 1335 CA SER A 89 85.175 8.425 -3.484 1.00 0.00 C ATOM 1336 C SER A 89 86.439 9.278 -3.627 1.00 0.00 C ATOM 1337 O SER A 89 86.317 10.415 -4.052 1.00 0.00 O ATOM 1338 CB SER A 89 83.926 9.302 -3.551 1.00 0.00 C ATOM 1339 OG SER A 89 84.215 10.574 -2.986 1.00 0.00 O ATOM 1340 OXT SER A 89 87.506 8.779 -3.309 1.00 0.00 O ATOM 0 H SER A 89 84.958 6.785 -2.133 1.00 0.00 H new ATOM 0 HA SER A 89 85.199 7.687 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 89 83.602 9.416 -4.586 1.00 0.00 H new ATOM 0 HB3 SER A 89 83.106 8.829 -3.011 1.00 0.00 H new ATOM 0 HG SER A 89 84.406 10.472 -2.030 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.614 3.359 7.221 1.00 1.15 CA