USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl -179:sc= 0 (180deg=-0.003) USER MOD Set 1.2: A 81 MET CE :methyl -153:sc= -0.684 (180deg=-2.87!) USER MOD Set 2.1: A 69 SER OG : rot 76:sc= 0.113 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 1.09 USER MOD Set 3.1: A 13 THR OG1 : rot 140:sc= -0.195 USER MOD Set 3.2: A 16 GLN : amide:sc= -4.7! C(o=-4.9!,f=-12!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0487) USER MOD Single : A 11 GLN : amide:sc= 0.358 K(o=0.36,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc=-0.00122 (180deg=-0.244) USER MOD Single : A 18 ASN : amide:sc= 1.05 K(o=1,f=-0.57) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.116 (180deg=-0.731) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 61:sc= -0.183 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.421) USER MOD Single : A 47 MET CE :methyl 145:sc= -5.72! (180deg=-10.5!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.881 F(o=-2.9,f=-0.88) USER MOD Single : A 60 MET CE :methyl -138:sc= -2.42 (180deg=-6.6!) USER MOD Single : A 80 MET CE :methyl -130:sc= -1.58 (180deg=-2.5) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 69.898 12.936 1.023 1.00 0.88 N ATOM 45 CA TYR A 5 70.566 11.830 0.278 1.00 0.86 C ATOM 46 C TYR A 5 70.082 11.810 -1.173 1.00 0.78 C ATOM 47 O TYR A 5 70.838 11.547 -2.087 1.00 0.79 O ATOM 48 CB TYR A 5 70.146 10.551 1.004 1.00 1.02 C ATOM 49 CG TYR A 5 70.292 10.748 2.494 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.562 10.710 3.085 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.160 10.972 3.286 1.00 1.94 C ATOM 52 CE1 TYR A 5 71.698 10.897 4.465 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.295 11.157 4.667 1.00 2.20 C ATOM 54 CZ TYR A 5 70.565 11.120 5.256 1.00 1.77 C ATOM 55 OH TYR A 5 70.699 11.304 6.618 1.00 2.07 O ATOM 0 HA TYR A 5 71.650 11.942 0.251 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.113 10.303 0.758 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.762 9.714 0.675 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.436 10.536 2.475 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.181 11.002 2.831 1.00 1.94 H new ATOM 0 HE1 TYR A 5 72.677 10.869 4.920 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.421 11.328 5.278 1.00 2.20 H new ATOM 0 HH TYR A 5 69.816 11.448 7.017 1.00 2.07 H new ATOM 65 N LYS A 6 68.827 12.092 -1.394 1.00 0.89 N ATOM 66 CA LYS A 6 68.301 12.096 -2.789 1.00 1.01 C ATOM 67 C LYS A 6 69.281 12.821 -3.713 1.00 0.98 C ATOM 68 O LYS A 6 69.655 12.320 -4.755 1.00 1.00 O ATOM 69 CB LYS A 6 66.975 12.854 -2.712 1.00 1.28 C ATOM 70 CG LYS A 6 65.957 12.199 -3.647 1.00 1.60 C ATOM 71 CD LYS A 6 65.944 12.940 -4.985 1.00 2.04 C ATOM 72 CE LYS A 6 66.171 11.942 -6.125 1.00 2.60 C ATOM 73 NZ LYS A 6 64.886 11.201 -6.250 1.00 3.24 N ATOM 0 H LYS A 6 68.144 12.319 -0.671 1.00 0.89 H new ATOM 0 HA LYS A 6 68.169 11.090 -3.187 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.600 12.849 -1.688 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.123 13.897 -2.992 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.212 11.151 -3.802 1.00 1.60 H new ATOM 0 HG3 LYS A 6 64.965 12.223 -3.196 1.00 1.60 H new ATOM 0 HD2 LYS A 6 64.991 13.452 -5.120 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.721 13.705 -4.997 1.00 2.04 H new ATOM 0 HE2 LYS A 6 66.423 12.454 -7.054 1.00 2.60 H new ATOM 0 HE3 LYS A 6 66.996 11.266 -5.900 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.058 10.184 -6.120 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.221 11.535 -5.524 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.481 11.366 -7.193 1.00 3.24 H new ATOM 87 N ALA A 7 69.703 13.998 -3.337 1.00 1.07 N ATOM 88 CA ALA A 7 70.661 14.754 -4.193 1.00 1.20 C ATOM 89 C ALA A 7 71.793 13.831 -4.655 1.00 1.08 C ATOM 90 O ALA A 7 72.290 13.948 -5.757 1.00 1.19 O ATOM 91 CB ALA A 7 71.206 15.862 -3.293 1.00 1.36 C ATOM 0 H ALA A 7 69.426 14.468 -2.475 1.00 1.07 H new ATOM 0 HA ALA A 7 70.189 15.154 -5.090 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.921 16.466 -3.852 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.384 16.493 -2.955 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.702 15.418 -2.430 1.00 1.36 H new ATOM 97 N ALA A 8 72.198 12.911 -3.823 1.00 0.95 N ATOM 98 CA ALA A 8 73.292 11.980 -4.219 1.00 0.96 C ATOM 99 C ALA A 8 72.727 10.845 -5.077 1.00 0.90 C ATOM 100 O ALA A 8 73.331 10.422 -6.042 1.00 1.01 O ATOM 101 CB ALA A 8 73.845 11.433 -2.903 1.00 0.98 C ATOM 0 H ALA A 8 71.819 12.764 -2.887 1.00 0.95 H new ATOM 0 HA ALA A 8 74.064 12.474 -4.809 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.658 10.737 -3.111 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.219 12.257 -2.295 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.053 10.915 -2.363 1.00 0.98 H new ATOM 107 N VAL A 9 71.569 10.353 -4.733 1.00 0.83 N ATOM 108 CA VAL A 9 70.960 9.249 -5.529 1.00 0.82 C ATOM 109 C VAL A 9 70.675 9.727 -6.954 1.00 0.97 C ATOM 110 O VAL A 9 70.649 8.949 -7.888 1.00 1.02 O ATOM 111 CB VAL A 9 69.658 8.913 -4.804 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.776 8.050 -5.708 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.977 8.146 -3.521 1.00 0.70 C ATOM 0 H VAL A 9 71.017 10.668 -3.935 1.00 0.83 H new ATOM 0 HA VAL A 9 71.616 8.382 -5.609 1.00 0.82 H new ATOM 0 HB VAL A 9 69.130 9.834 -4.558 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.847 7.811 -5.190 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.550 8.596 -6.624 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.301 7.127 -5.955 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.050 7.905 -3.001 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.504 7.225 -3.769 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.605 8.761 -2.876 1.00 0.70 H new ATOM 123 N GLU A 10 70.461 11.002 -7.129 1.00 1.12 N ATOM 124 CA GLU A 10 70.179 11.528 -8.497 1.00 1.32 C ATOM 125 C GLU A 10 71.434 11.418 -9.368 1.00 1.37 C ATOM 126 O GLU A 10 71.365 11.458 -10.580 1.00 1.56 O ATOM 127 CB GLU A 10 69.787 12.994 -8.294 1.00 1.51 C ATOM 128 CG GLU A 10 71.036 13.829 -7.999 1.00 1.80 C ATOM 129 CD GLU A 10 71.406 14.649 -9.237 1.00 2.02 C ATOM 130 OE1 GLU A 10 71.566 14.056 -10.291 1.00 2.61 O ATOM 131 OE2 GLU A 10 71.524 15.857 -9.110 1.00 2.28 O ATOM 0 H GLU A 10 70.469 11.702 -6.387 1.00 1.12 H new ATOM 0 HA GLU A 10 69.390 10.969 -9.001 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.287 13.373 -9.185 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.078 13.080 -7.470 1.00 1.51 H new ATOM 0 HG2 GLU A 10 70.852 14.491 -7.153 1.00 1.80 H new ATOM 0 HG3 GLU A 10 71.864 13.178 -7.720 1.00 1.80 H new ATOM 138 N GLN A 11 72.576 11.277 -8.756 1.00 1.29 N ATOM 139 CA GLN A 11 73.837 11.161 -9.543 1.00 1.45 C ATOM 140 C GLN A 11 74.171 9.687 -9.786 1.00 1.35 C ATOM 141 O GLN A 11 75.109 9.359 -10.486 1.00 1.53 O ATOM 142 CB GLN A 11 74.908 11.817 -8.671 1.00 1.61 C ATOM 143 CG GLN A 11 75.094 13.274 -9.098 1.00 2.13 C ATOM 144 CD GLN A 11 75.480 14.119 -7.882 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.585 14.616 -7.801 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.610 14.302 -6.927 1.00 2.71 N ATOM 0 H GLN A 11 72.692 11.237 -7.743 1.00 1.29 H new ATOM 0 HA GLN A 11 73.761 11.636 -10.521 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.617 11.769 -7.622 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.850 11.276 -8.765 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.868 13.344 -9.863 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.173 13.654 -9.541 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.682 13.884 -6.996 1.00 2.71 H new ATOM 0 HE22 GLN A 11 74.858 14.863 -6.112 1.00 2.71 H new ATOM 155 N LEU A 12 73.411 8.796 -9.212 1.00 1.18 N ATOM 156 CA LEU A 12 73.683 7.343 -9.407 1.00 1.21 C ATOM 157 C LEU A 12 73.813 7.023 -10.898 1.00 1.11 C ATOM 158 O LEU A 12 73.505 7.836 -11.748 1.00 1.25 O ATOM 159 CB LEU A 12 72.470 6.630 -8.812 1.00 1.32 C ATOM 160 CG LEU A 12 72.751 6.276 -7.351 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.566 5.497 -6.777 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.014 5.414 -7.269 1.00 1.68 C ATOM 0 H LEU A 12 72.612 9.011 -8.615 1.00 1.18 H new ATOM 0 HA LEU A 12 74.614 7.031 -8.933 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.590 7.270 -8.879 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.251 5.726 -9.381 1.00 1.32 H new ATOM 0 HG LEU A 12 72.896 7.191 -6.778 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.766 5.245 -5.736 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.666 6.109 -6.835 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.420 4.582 -7.350 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.215 5.161 -6.228 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.868 4.499 -7.843 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.859 5.967 -7.678 1.00 1.68 H new ATOM 174 N THR A 13 74.267 5.843 -11.223 1.00 1.05 N ATOM 175 CA THR A 13 74.417 5.469 -12.659 1.00 1.13 C ATOM 176 C THR A 13 73.257 4.569 -13.095 1.00 0.94 C ATOM 177 O THR A 13 72.655 3.885 -12.291 1.00 0.87 O ATOM 178 CB THR A 13 75.742 4.706 -12.732 1.00 1.38 C ATOM 179 OG1 THR A 13 75.741 3.669 -11.761 1.00 1.89 O ATOM 180 CG2 THR A 13 76.901 5.665 -12.458 1.00 1.68 C ATOM 0 H THR A 13 74.541 5.121 -10.556 1.00 1.05 H new ATOM 0 HA THR A 13 74.409 6.339 -13.316 1.00 1.13 H new ATOM 0 HB THR A 13 75.860 4.274 -13.726 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.153 2.865 -12.141 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.844 5.121 -12.510 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.899 6.460 -13.204 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.787 6.099 -11.465 1.00 1.68 H new ATOM 188 N GLU A 14 72.940 4.563 -14.361 1.00 0.94 N ATOM 189 CA GLU A 14 71.820 3.705 -14.843 1.00 0.90 C ATOM 190 C GLU A 14 72.018 2.265 -14.363 1.00 0.82 C ATOM 191 O GLU A 14 71.084 1.493 -14.279 1.00 0.82 O ATOM 192 CB GLU A 14 71.891 3.777 -16.369 1.00 1.05 C ATOM 193 CG GLU A 14 70.503 4.092 -16.931 1.00 2.10 C ATOM 194 CD GLU A 14 70.645 4.809 -18.274 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.032 5.966 -18.269 1.00 2.91 O ATOM 196 OE2 GLU A 14 70.364 4.189 -19.287 1.00 3.31 O ATOM 0 H GLU A 14 73.407 5.114 -15.081 1.00 0.94 H new ATOM 0 HA GLU A 14 70.853 4.037 -14.466 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.601 4.545 -16.675 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.252 2.831 -16.772 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.933 3.172 -17.057 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.949 4.717 -16.230 1.00 2.10 H new ATOM 203 N GLU A 15 73.229 1.899 -14.044 1.00 0.92 N ATOM 204 CA GLU A 15 73.487 0.511 -13.565 1.00 1.01 C ATOM 205 C GLU A 15 73.080 0.380 -12.096 1.00 0.90 C ATOM 206 O GLU A 15 72.781 -0.696 -11.618 1.00 0.89 O ATOM 207 CB GLU A 15 74.995 0.312 -13.725 1.00 1.23 C ATOM 208 CG GLU A 15 75.429 0.781 -15.116 1.00 1.92 C ATOM 209 CD GLU A 15 76.274 -0.307 -15.782 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.695 -1.182 -16.405 1.00 2.90 O ATOM 211 OE2 GLU A 15 77.486 -0.247 -15.658 1.00 2.80 O ATOM 0 H GLU A 15 74.051 2.501 -14.094 1.00 0.92 H new ATOM 0 HA GLU A 15 72.918 -0.234 -14.121 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.530 0.872 -12.958 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.250 -0.739 -13.588 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.553 1.001 -15.727 1.00 1.92 H new ATOM 0 HG3 GLU A 15 76.003 1.704 -15.037 1.00 1.92 H new ATOM 218 N GLN A 16 73.064 1.468 -11.376 1.00 0.89 N ATOM 219 CA GLN A 16 72.674 1.407 -9.939 1.00 0.87 C ATOM 220 C GLN A 16 71.152 1.501 -9.802 1.00 0.68 C ATOM 221 O GLN A 16 70.538 0.741 -9.081 1.00 0.67 O ATOM 222 CB GLN A 16 73.349 2.617 -9.293 1.00 0.97 C ATOM 223 CG GLN A 16 74.655 2.179 -8.626 1.00 1.77 C ATOM 224 CD GLN A 16 75.552 1.496 -9.658 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.134 0.573 -10.328 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.779 1.913 -9.816 1.00 2.61 N ATOM 0 H GLN A 16 73.304 2.397 -11.721 1.00 0.89 H new ATOM 0 HA GLN A 16 72.978 0.473 -9.466 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.551 3.379 -10.046 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.684 3.066 -8.555 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.165 3.043 -8.200 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.444 1.496 -7.803 1.00 1.77 H new ATOM 0 HE21 GLN A 16 77.131 2.688 -9.254 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.386 1.464 -10.502 1.00 2.61 H new ATOM 235 N LYS A 17 70.541 2.427 -10.489 1.00 0.63 N ATOM 236 CA LYS A 17 69.059 2.566 -10.394 1.00 0.62 C ATOM 237 C LYS A 17 68.377 1.308 -10.937 1.00 0.60 C ATOM 238 O LYS A 17 67.248 1.008 -10.599 1.00 0.66 O ATOM 239 CB LYS A 17 68.717 3.778 -11.260 1.00 0.74 C ATOM 240 CG LYS A 17 69.362 5.030 -10.664 1.00 1.21 C ATOM 241 CD LYS A 17 68.336 6.163 -10.626 1.00 1.31 C ATOM 242 CE LYS A 17 68.904 7.342 -9.832 1.00 1.43 C ATOM 243 NZ LYS A 17 67.735 7.923 -9.116 1.00 2.06 N ATOM 0 H LYS A 17 71.002 3.092 -11.110 1.00 0.63 H new ATOM 0 HA LYS A 17 68.721 2.693 -9.366 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.073 3.622 -12.278 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.636 3.905 -11.316 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.726 4.821 -9.658 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.225 5.326 -11.260 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.090 6.479 -11.640 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.411 5.814 -10.167 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.672 7.013 -9.132 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.367 8.076 -10.492 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 67.997 8.847 -8.716 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.946 8.046 -9.782 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.445 7.283 -8.349 1.00 2.06 H new ATOM 257 N ASN A 18 69.052 0.572 -11.774 1.00 0.70 N ATOM 258 CA ASN A 18 68.443 -0.667 -12.338 1.00 0.85 C ATOM 259 C ASN A 18 68.552 -1.812 -11.327 1.00 0.70 C ATOM 260 O ASN A 18 67.609 -2.546 -11.104 1.00 0.66 O ATOM 261 CB ASN A 18 69.262 -0.974 -13.591 1.00 1.11 C ATOM 262 CG ASN A 18 68.525 -0.449 -14.824 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.500 -0.977 -15.203 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.007 0.578 -15.469 1.00 2.13 N ATOM 0 H ASN A 18 70.000 0.774 -12.093 1.00 0.70 H new ATOM 0 HA ASN A 18 67.384 -0.544 -12.566 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.246 -0.511 -13.518 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.422 -2.049 -13.680 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.522 0.937 -16.292 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.868 1.022 -15.151 1.00 2.13 H new ATOM 271 N GLU A 19 69.692 -1.968 -10.714 1.00 0.76 N ATOM 272 CA GLU A 19 69.856 -3.065 -9.717 1.00 0.79 C ATOM 273 C GLU A 19 68.951 -2.817 -8.508 1.00 0.65 C ATOM 274 O GLU A 19 68.546 -3.736 -7.824 1.00 0.66 O ATOM 275 CB GLU A 19 71.328 -3.014 -9.308 1.00 0.98 C ATOM 276 CG GLU A 19 71.912 -4.427 -9.331 1.00 1.21 C ATOM 277 CD GLU A 19 73.418 -4.354 -9.589 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.802 -3.749 -10.575 1.00 2.53 O ATOM 279 OE2 GLU A 19 74.161 -4.906 -8.794 1.00 2.44 O ATOM 0 H GLU A 19 70.516 -1.385 -10.859 1.00 0.76 H new ATOM 0 HA GLU A 19 69.582 -4.039 -10.124 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.883 -2.368 -9.988 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.425 -2.585 -8.311 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.719 -4.927 -8.382 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.428 -5.019 -10.107 1.00 1.21 H new ATOM 286 N PHE A 20 68.629 -1.580 -8.240 1.00 0.67 N ATOM 287 CA PHE A 20 67.747 -1.275 -7.078 1.00 0.75 C ATOM 288 C PHE A 20 66.286 -1.551 -7.440 1.00 0.66 C ATOM 289 O PHE A 20 65.695 -2.511 -6.986 1.00 0.79 O ATOM 290 CB PHE A 20 67.964 0.214 -6.796 1.00 0.97 C ATOM 291 CG PHE A 20 69.433 0.476 -6.549 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.261 -0.552 -6.080 1.00 2.24 C ATOM 293 CD2 PHE A 20 69.967 1.748 -6.792 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.621 -0.308 -5.854 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.328 1.990 -6.566 1.00 3.36 C ATOM 296 CZ PHE A 20 72.154 0.962 -6.097 1.00 3.69 C ATOM 0 H PHE A 20 68.938 -0.769 -8.775 1.00 0.67 H new ATOM 0 HA PHE A 20 67.978 -1.889 -6.208 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.615 0.809 -7.640 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.379 0.519 -5.928 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.850 -1.533 -5.893 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.330 2.542 -7.153 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.259 -1.101 -5.492 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.740 2.970 -6.754 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.203 1.150 -5.923 1.00 3.69 H new ATOM 306 N LYS A 21 65.698 -0.720 -8.255 1.00 0.60 N ATOM 307 CA LYS A 21 64.275 -0.940 -8.646 1.00 0.65 C ATOM 308 C LYS A 21 64.047 -2.415 -8.993 1.00 0.57 C ATOM 309 O LYS A 21 63.048 -3.001 -8.629 1.00 0.57 O ATOM 310 CB LYS A 21 64.063 -0.063 -9.879 1.00 0.78 C ATOM 311 CG LYS A 21 63.221 1.157 -9.500 1.00 1.27 C ATOM 312 CD LYS A 21 64.081 2.142 -8.706 1.00 1.58 C ATOM 313 CE LYS A 21 64.228 3.444 -9.499 1.00 2.42 C ATOM 314 NZ LYS A 21 65.561 3.344 -10.157 1.00 2.88 N ATOM 0 H LYS A 21 66.140 0.102 -8.668 1.00 0.60 H new ATOM 0 HA LYS A 21 63.582 -0.689 -7.843 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.025 0.256 -10.281 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.564 -0.633 -10.662 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.833 1.638 -10.398 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.360 0.848 -8.907 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.623 2.343 -7.738 1.00 1.58 H new ATOM 0 HD3 LYS A 21 65.062 1.710 -8.511 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.431 3.550 -10.235 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.175 4.314 -8.844 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.512 3.767 -11.106 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 66.268 3.852 -9.588 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 65.834 2.344 -10.237 1.00 2.88 H new ATOM 328 N ALA A 22 64.968 -3.015 -9.696 1.00 0.59 N ATOM 329 CA ALA A 22 64.806 -4.449 -10.070 1.00 0.62 C ATOM 330 C ALA A 22 64.738 -5.325 -8.814 1.00 0.50 C ATOM 331 O ALA A 22 63.773 -6.027 -8.588 1.00 0.50 O ATOM 332 CB ALA A 22 66.049 -4.786 -10.893 1.00 0.76 C ATOM 0 H ALA A 22 65.826 -2.574 -10.028 1.00 0.59 H new ATOM 0 HA ALA A 22 63.886 -4.627 -10.627 1.00 0.62 H new ATOM 0 HB1 ALA A 22 66.005 -5.829 -11.208 1.00 0.76 H new ATOM 0 HB2 ALA A 22 66.088 -4.143 -11.772 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.941 -4.627 -10.287 1.00 0.76 H new ATOM 338 N ALA A 23 65.758 -5.294 -7.999 1.00 0.50 N ATOM 339 CA ALA A 23 65.750 -6.128 -6.762 1.00 0.53 C ATOM 340 C ALA A 23 64.520 -5.805 -5.912 1.00 0.46 C ATOM 341 O ALA A 23 63.712 -6.665 -5.616 1.00 0.52 O ATOM 342 CB ALA A 23 67.030 -5.744 -6.019 1.00 0.64 C ATOM 0 H ALA A 23 66.596 -4.728 -8.136 1.00 0.50 H new ATOM 0 HA ALA A 23 65.710 -7.194 -6.984 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.099 -6.316 -5.094 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.894 -5.963 -6.646 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.010 -4.679 -5.787 1.00 0.64 H new ATOM 348 N PHE A 24 64.373 -4.572 -5.514 1.00 0.47 N ATOM 349 CA PHE A 24 63.200 -4.186 -4.679 1.00 0.57 C ATOM 350 C PHE A 24 61.927 -4.863 -5.198 1.00 0.48 C ATOM 351 O PHE A 24 61.107 -5.331 -4.435 1.00 0.51 O ATOM 352 CB PHE A 24 63.099 -2.667 -4.829 1.00 0.77 C ATOM 353 CG PHE A 24 61.869 -2.166 -4.111 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.597 -2.442 -4.625 1.00 1.58 C ATOM 355 CD2 PHE A 24 62.001 -1.421 -2.932 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.457 -1.974 -3.960 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.861 -0.952 -2.268 1.00 1.62 C ATOM 358 CZ PHE A 24 59.589 -1.229 -2.783 1.00 1.25 C ATOM 0 H PHE A 24 65.017 -3.812 -5.732 1.00 0.47 H new ATOM 0 HA PHE A 24 63.315 -4.491 -3.639 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.990 -2.191 -4.419 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.051 -2.398 -5.884 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.495 -3.016 -5.534 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.983 -1.208 -2.535 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.475 -2.188 -4.356 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.963 -0.377 -1.359 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.709 -0.867 -2.272 1.00 1.25 H new ATOM 368 N ASP A 25 61.752 -4.911 -6.491 1.00 0.45 N ATOM 369 CA ASP A 25 60.528 -5.550 -7.057 1.00 0.53 C ATOM 370 C ASP A 25 60.582 -7.074 -6.902 1.00 0.52 C ATOM 371 O ASP A 25 59.588 -7.711 -6.615 1.00 0.60 O ATOM 372 CB ASP A 25 60.531 -5.163 -8.536 1.00 0.66 C ATOM 373 CG ASP A 25 59.398 -5.895 -9.256 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.630 -6.566 -8.585 1.00 1.55 O ATOM 375 OD2 ASP A 25 59.316 -5.773 -10.468 1.00 1.52 O ATOM 0 H ASP A 25 62.403 -4.536 -7.180 1.00 0.45 H new ATOM 0 HA ASP A 25 59.625 -5.220 -6.544 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.407 -4.085 -8.641 1.00 0.66 H new ATOM 0 HB3 ASP A 25 61.489 -5.419 -8.988 1.00 0.66 H new ATOM 380 N ILE A 26 61.728 -7.667 -7.102 1.00 0.50 N ATOM 381 CA ILE A 26 61.828 -9.151 -6.977 1.00 0.63 C ATOM 382 C ILE A 26 61.953 -9.570 -5.511 1.00 0.70 C ATOM 383 O ILE A 26 61.752 -10.718 -5.166 1.00 0.94 O ATOM 384 CB ILE A 26 63.094 -9.531 -7.745 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.032 -8.941 -9.156 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.198 -11.054 -7.834 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.356 -9.203 -9.875 1.00 0.69 C ATOM 0 H ILE A 26 62.597 -7.191 -7.346 1.00 0.50 H new ATOM 0 HA ILE A 26 60.940 -9.648 -7.369 1.00 0.63 H new ATOM 0 HB ILE A 26 63.967 -9.137 -7.224 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.208 -9.388 -9.713 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.839 -7.869 -9.106 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.100 -11.326 -8.382 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.242 -11.475 -6.830 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.325 -11.448 -8.354 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.313 -8.783 -10.880 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.170 -8.735 -9.321 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.530 -10.277 -9.937 1.00 0.69 H new ATOM 399 N PHE A 27 62.291 -8.658 -4.644 1.00 0.61 N ATOM 400 CA PHE A 27 62.433 -9.024 -3.205 1.00 0.79 C ATOM 401 C PHE A 27 61.185 -8.618 -2.418 1.00 0.76 C ATOM 402 O PHE A 27 60.974 -9.056 -1.305 1.00 1.03 O ATOM 403 CB PHE A 27 63.656 -8.250 -2.720 1.00 0.91 C ATOM 404 CG PHE A 27 64.896 -9.078 -2.956 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.218 -10.122 -2.081 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.725 -8.802 -4.050 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.368 -10.889 -2.299 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.875 -9.569 -4.268 1.00 3.07 C ATOM 409 CZ PHE A 27 67.197 -10.613 -3.393 1.00 3.21 C ATOM 0 H PHE A 27 62.475 -7.680 -4.866 1.00 0.61 H new ATOM 0 HA PHE A 27 62.549 -10.099 -3.065 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.733 -7.300 -3.249 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.556 -8.017 -1.660 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.579 -10.336 -1.237 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.477 -7.997 -4.726 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.616 -11.694 -1.623 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.514 -9.355 -5.112 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.084 -11.205 -3.562 1.00 3.21 H new ATOM 419 N VAL A 28 60.352 -7.790 -2.986 1.00 0.63 N ATOM 420 CA VAL A 28 59.120 -7.370 -2.265 1.00 0.65 C ATOM 421 C VAL A 28 58.008 -8.401 -2.502 1.00 0.65 C ATOM 422 O VAL A 28 56.917 -8.282 -1.980 1.00 0.74 O ATOM 423 CB VAL A 28 58.768 -5.999 -2.860 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.250 -5.808 -2.918 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.378 -4.910 -1.980 1.00 1.47 C ATOM 0 H VAL A 28 60.472 -7.388 -3.916 1.00 0.63 H new ATOM 0 HA VAL A 28 59.252 -7.306 -1.185 1.00 0.65 H new ATOM 0 HB VAL A 28 59.165 -5.939 -3.873 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.022 -4.830 -3.343 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.809 -6.586 -3.541 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.837 -5.872 -1.911 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.135 -3.931 -2.392 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.974 -4.989 -0.971 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.461 -5.032 -1.948 1.00 1.47 H new ATOM 435 N LEU A 29 58.280 -9.413 -3.277 1.00 0.92 N ATOM 436 CA LEU A 29 57.243 -10.452 -3.535 1.00 0.99 C ATOM 437 C LEU A 29 56.665 -10.948 -2.211 1.00 0.99 C ATOM 438 O LEU A 29 55.507 -11.302 -2.118 1.00 1.10 O ATOM 439 CB LEU A 29 57.989 -11.581 -4.239 1.00 1.43 C ATOM 440 CG LEU A 29 57.598 -11.619 -5.717 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.144 -12.078 -5.850 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.746 -10.220 -6.319 1.00 2.45 C ATOM 0 H LEU A 29 59.174 -9.566 -3.743 1.00 0.92 H new ATOM 0 HA LEU A 29 56.412 -10.073 -4.131 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.065 -11.434 -4.142 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.753 -12.535 -3.767 1.00 1.43 H new ATOM 0 HG LEU A 29 58.249 -12.315 -6.246 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.866 -12.105 -6.904 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.036 -13.074 -5.421 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.493 -11.382 -5.321 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.468 -10.246 -7.373 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.095 -9.525 -5.789 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.781 -9.891 -6.225 1.00 2.45 H new ATOM 454 N GLY A 30 57.468 -10.975 -1.182 1.00 1.16 N ATOM 455 CA GLY A 30 56.971 -11.446 0.139 1.00 1.58 C ATOM 456 C GLY A 30 56.541 -10.242 0.976 1.00 1.39 C ATOM 457 O GLY A 30 56.138 -10.377 2.115 1.00 1.89 O ATOM 0 H GLY A 30 58.447 -10.691 -1.201 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.131 -12.127 0.002 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.752 -12.003 0.657 1.00 1.58 H new ATOM 461 N ALA A 31 56.624 -9.064 0.421 1.00 0.90 N ATOM 462 CA ALA A 31 56.219 -7.850 1.187 1.00 0.95 C ATOM 463 C ALA A 31 54.696 -7.795 1.321 1.00 1.15 C ATOM 464 O ALA A 31 54.004 -8.763 1.076 1.00 1.41 O ATOM 465 CB ALA A 31 56.728 -6.670 0.360 1.00 0.97 C ATOM 0 H ALA A 31 56.954 -8.889 -0.528 1.00 0.90 H new ATOM 0 HA ALA A 31 56.627 -7.844 2.198 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.468 -5.737 0.859 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.811 -6.738 0.258 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.268 -6.693 -0.628 1.00 0.97 H new ATOM 471 N GLU A 32 54.166 -6.666 1.708 1.00 1.35 N ATOM 472 CA GLU A 32 52.687 -6.549 1.857 1.00 1.90 C ATOM 473 C GLU A 32 52.236 -5.121 1.537 1.00 2.05 C ATOM 474 O GLU A 32 51.213 -4.906 0.919 1.00 2.79 O ATOM 475 CB GLU A 32 52.411 -6.882 3.325 1.00 2.37 C ATOM 476 CG GLU A 32 50.972 -7.379 3.473 1.00 2.44 C ATOM 477 CD GLU A 32 50.671 -7.637 4.951 1.00 2.83 C ATOM 478 OE1 GLU A 32 51.241 -8.567 5.497 1.00 3.24 O ATOM 479 OE2 GLU A 32 49.876 -6.900 5.510 1.00 3.29 O ATOM 0 H GLU A 32 54.693 -5.820 1.927 1.00 1.35 H new ATOM 0 HA GLU A 32 52.149 -7.212 1.180 1.00 1.90 H new ATOM 0 HB2 GLU A 32 53.108 -7.644 3.673 1.00 2.37 H new ATOM 0 HB3 GLU A 32 52.568 -5.999 3.945 1.00 2.37 H new ATOM 0 HG2 GLU A 32 50.278 -6.640 3.073 1.00 2.44 H new ATOM 0 HG3 GLU A 32 50.831 -8.294 2.897 1.00 2.44 H new ATOM 486 N ASP A 33 52.993 -4.143 1.954 1.00 1.80 N ATOM 487 CA ASP A 33 52.606 -2.729 1.674 1.00 2.11 C ATOM 488 C ASP A 33 53.453 -2.166 0.529 1.00 1.47 C ATOM 489 O ASP A 33 53.295 -1.030 0.129 1.00 1.80 O ATOM 490 CB ASP A 33 52.892 -1.976 2.974 1.00 3.12 C ATOM 491 CG ASP A 33 51.692 -1.097 3.329 1.00 3.68 C ATOM 492 OD1 ASP A 33 50.644 -1.648 3.626 1.00 4.09 O ATOM 493 OD2 ASP A 33 51.841 0.113 3.301 1.00 4.12 O ATOM 0 H ASP A 33 53.862 -4.261 2.476 1.00 1.80 H new ATOM 0 HA ASP A 33 51.563 -2.638 1.371 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.090 -2.683 3.780 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.786 -1.362 2.862 1.00 3.12 H new ATOM 498 N GLY A 34 54.351 -2.952 0.000 1.00 1.10 N ATOM 499 CA GLY A 34 55.206 -2.460 -1.118 1.00 1.40 C ATOM 500 C GLY A 34 56.490 -1.854 -0.551 1.00 1.17 C ATOM 501 O GLY A 34 56.872 -0.753 -0.895 1.00 1.39 O ATOM 0 H GLY A 34 54.530 -3.913 0.293 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.446 -3.281 -1.794 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.666 -1.714 -1.701 1.00 1.40 H new ATOM 505 N SER A 35 57.161 -2.562 0.317 1.00 0.84 N ATOM 506 CA SER A 35 58.422 -2.023 0.903 1.00 0.70 C ATOM 507 C SER A 35 59.376 -3.166 1.250 1.00 0.67 C ATOM 508 O SER A 35 59.218 -4.280 0.794 1.00 0.80 O ATOM 509 CB SER A 35 57.988 -1.280 2.165 1.00 0.75 C ATOM 510 OG SER A 35 56.706 -1.745 2.567 1.00 1.04 O ATOM 0 H SER A 35 56.891 -3.489 0.645 1.00 0.84 H new ATOM 0 HA SER A 35 58.953 -1.370 0.210 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.713 -1.441 2.963 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.955 -0.207 1.976 1.00 0.75 H new ATOM 0 HG SER A 35 56.426 -1.271 3.378 1.00 1.04 H new ATOM 516 N ILE A 36 60.372 -2.896 2.049 1.00 0.69 N ATOM 517 CA ILE A 36 61.341 -3.969 2.416 1.00 0.78 C ATOM 518 C ILE A 36 61.919 -3.697 3.808 1.00 0.71 C ATOM 519 O ILE A 36 62.715 -2.799 3.994 1.00 0.98 O ATOM 520 CB ILE A 36 62.452 -3.917 1.353 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.927 -3.307 0.046 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.944 -5.335 1.068 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.032 -3.337 -1.011 1.00 1.22 C ATOM 0 H ILE A 36 60.557 -1.982 2.463 1.00 0.69 H new ATOM 0 HA ILE A 36 60.867 -4.950 2.446 1.00 0.78 H new ATOM 0 HB ILE A 36 63.265 -3.299 1.733 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.058 -3.864 -0.305 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.600 -2.281 0.217 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.731 -5.302 0.315 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.336 -5.775 1.985 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.116 -5.941 0.701 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.659 -2.904 -1.939 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.888 -2.761 -0.659 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.338 -4.368 -1.189 1.00 1.22 H new ATOM 535 N SER A 37 61.521 -4.463 4.789 1.00 0.87 N ATOM 536 CA SER A 37 62.046 -4.244 6.169 1.00 0.87 C ATOM 537 C SER A 37 63.436 -4.868 6.318 1.00 0.76 C ATOM 538 O SER A 37 63.808 -5.759 5.583 1.00 0.87 O ATOM 539 CB SER A 37 61.046 -4.944 7.089 1.00 1.12 C ATOM 540 OG SER A 37 61.664 -5.205 8.343 1.00 1.52 O ATOM 0 H SER A 37 60.856 -5.230 4.695 1.00 0.87 H new ATOM 0 HA SER A 37 62.149 -3.185 6.405 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.164 -4.319 7.228 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.708 -5.876 6.636 1.00 1.12 H new ATOM 0 HG SER A 37 61.940 -4.359 8.754 1.00 1.52 H new ATOM 546 N THR A 38 64.203 -4.408 7.268 1.00 0.71 N ATOM 547 CA THR A 38 65.567 -4.979 7.464 1.00 0.65 C ATOM 548 C THR A 38 65.491 -6.506 7.544 1.00 0.70 C ATOM 549 O THR A 38 66.451 -7.201 7.274 1.00 1.37 O ATOM 550 CB THR A 38 66.065 -4.394 8.786 1.00 0.76 C ATOM 551 OG1 THR A 38 67.164 -5.160 9.259 1.00 1.55 O ATOM 552 CG2 THR A 38 64.938 -4.430 9.813 1.00 1.00 C ATOM 0 H THR A 38 63.946 -3.663 7.916 1.00 0.71 H new ATOM 0 HA THR A 38 66.237 -4.735 6.640 1.00 0.65 H new ATOM 0 HB THR A 38 66.382 -3.363 8.631 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.484 -4.784 10.106 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.292 -4.013 10.756 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.096 -3.842 9.449 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.620 -5.461 9.968 1.00 1.00 H new ATOM 560 N LYS A 39 64.354 -7.033 7.908 1.00 0.60 N ATOM 561 CA LYS A 39 64.213 -8.514 7.997 1.00 0.66 C ATOM 562 C LYS A 39 63.900 -9.087 6.615 1.00 0.64 C ATOM 563 O LYS A 39 64.186 -10.231 6.322 1.00 0.87 O ATOM 564 CB LYS A 39 63.040 -8.741 8.951 1.00 0.81 C ATOM 565 CG LYS A 39 61.749 -8.242 8.298 1.00 1.42 C ATOM 566 CD LYS A 39 61.107 -9.381 7.504 1.00 1.58 C ATOM 567 CE LYS A 39 59.655 -9.560 7.953 1.00 2.15 C ATOM 568 NZ LYS A 39 58.856 -8.728 7.011 1.00 2.80 N ATOM 0 H LYS A 39 63.517 -6.502 8.148 1.00 0.60 H new ATOM 0 HA LYS A 39 65.122 -9.001 8.349 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.953 -9.800 9.192 1.00 0.81 H new ATOM 0 HB3 LYS A 39 63.213 -8.214 9.889 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.059 -7.882 9.061 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.964 -7.401 7.639 1.00 1.42 H new ATOM 0 HD2 LYS A 39 61.145 -9.161 6.437 1.00 1.58 H new ATOM 0 HD3 LYS A 39 61.663 -10.305 7.659 1.00 1.58 H new ATOM 0 HE2 LYS A 39 59.354 -10.607 7.908 1.00 2.15 H new ATOM 0 HE3 LYS A 39 59.517 -9.233 8.983 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 57.847 -8.799 7.255 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 59.160 -7.736 7.081 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 59.002 -9.067 6.039 1.00 2.80 H new ATOM 582 N GLU A 40 63.311 -8.293 5.765 1.00 0.63 N ATOM 583 CA GLU A 40 62.971 -8.772 4.396 1.00 0.68 C ATOM 584 C GLU A 40 63.974 -8.197 3.386 1.00 0.66 C ATOM 585 O GLU A 40 64.227 -8.778 2.349 1.00 0.83 O ATOM 586 CB GLU A 40 61.542 -8.249 4.157 1.00 0.86 C ATOM 587 CG GLU A 40 61.381 -7.712 2.729 1.00 1.05 C ATOM 588 CD GLU A 40 61.488 -8.867 1.732 1.00 1.54 C ATOM 589 OE1 GLU A 40 60.690 -9.785 1.830 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.366 -8.813 0.886 1.00 1.92 O ATOM 0 H GLU A 40 63.049 -7.327 5.961 1.00 0.63 H new ATOM 0 HA GLU A 40 63.019 -9.855 4.285 1.00 0.68 H new ATOM 0 HB2 GLU A 40 60.824 -9.051 4.330 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.316 -7.459 4.873 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.417 -7.215 2.623 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.149 -6.966 2.521 1.00 1.05 H new ATOM 597 N LEU A 41 64.544 -7.063 3.684 1.00 0.73 N ATOM 598 CA LEU A 41 65.528 -6.451 2.745 1.00 0.80 C ATOM 599 C LEU A 41 66.889 -7.139 2.884 1.00 0.72 C ATOM 600 O LEU A 41 67.681 -7.159 1.963 1.00 0.81 O ATOM 601 CB LEU A 41 65.623 -4.986 3.170 1.00 1.10 C ATOM 602 CG LEU A 41 66.808 -4.326 2.464 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.413 -2.921 2.004 1.00 1.94 C ATOM 604 CD2 LEU A 41 67.988 -4.231 3.434 1.00 1.83 C ATOM 0 H LEU A 41 64.372 -6.532 4.538 1.00 0.73 H new ATOM 0 HA LEU A 41 65.224 -6.554 1.703 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.700 -4.463 2.920 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.746 -4.917 4.251 1.00 1.10 H new ATOM 0 HG LEU A 41 67.093 -4.924 1.598 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.258 -2.452 1.501 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.572 -2.987 1.314 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.127 -2.322 2.869 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.834 -3.761 2.933 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.701 -3.633 4.299 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.271 -5.231 3.762 1.00 1.83 H new ATOM 616 N GLY A 42 67.167 -7.707 4.024 1.00 0.72 N ATOM 617 CA GLY A 42 68.478 -8.391 4.208 1.00 0.91 C ATOM 618 C GLY A 42 68.768 -9.257 2.983 1.00 0.78 C ATOM 619 O GLY A 42 69.890 -9.342 2.522 1.00 0.84 O ATOM 0 H GLY A 42 66.547 -7.728 4.833 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.270 -7.655 4.344 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.458 -9.007 5.107 1.00 0.91 H new ATOM 623 N LYS A 43 67.765 -9.896 2.446 1.00 0.77 N ATOM 624 CA LYS A 43 67.981 -10.750 1.246 1.00 0.86 C ATOM 625 C LYS A 43 68.266 -9.871 0.026 1.00 0.79 C ATOM 626 O LYS A 43 68.899 -10.290 -0.922 1.00 0.99 O ATOM 627 CB LYS A 43 66.670 -11.516 1.064 1.00 0.95 C ATOM 628 CG LYS A 43 66.955 -13.019 1.031 1.00 1.34 C ATOM 629 CD LYS A 43 66.578 -13.639 2.378 1.00 2.13 C ATOM 630 CE LYS A 43 67.530 -14.795 2.691 1.00 2.65 C ATOM 631 NZ LYS A 43 67.306 -15.784 1.600 1.00 2.98 N ATOM 0 H LYS A 43 66.804 -9.863 2.788 1.00 0.77 H new ATOM 0 HA LYS A 43 68.830 -11.423 1.361 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.985 -11.283 1.879 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.182 -11.208 0.139 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.386 -13.490 0.230 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.010 -13.196 0.820 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.632 -12.886 3.165 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.549 -13.998 2.350 1.00 2.13 H new ATOM 0 HE2 LYS A 43 68.566 -14.458 2.712 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.316 -15.229 3.668 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 67.645 -16.719 1.904 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.290 -15.838 1.383 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 67.826 -15.487 0.750 1.00 2.98 H new ATOM 645 N VAL A 44 67.801 -8.651 0.047 1.00 0.72 N ATOM 646 CA VAL A 44 68.043 -7.736 -1.106 1.00 0.93 C ATOM 647 C VAL A 44 69.497 -7.258 -1.106 1.00 0.89 C ATOM 648 O VAL A 44 70.185 -7.327 -2.105 1.00 1.06 O ATOM 649 CB VAL A 44 67.094 -6.557 -0.882 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.522 -5.378 -1.759 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.670 -6.970 -1.251 1.00 1.80 C ATOM 0 H VAL A 44 67.263 -8.248 0.814 1.00 0.72 H new ATOM 0 HA VAL A 44 67.868 -8.225 -2.064 1.00 0.93 H new ATOM 0 HB VAL A 44 67.129 -6.262 0.167 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.844 -4.540 -1.598 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.537 -5.080 -1.497 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.490 -5.674 -2.808 1.00 1.72 H new ATOM 0 HG21 VAL A 44 64.994 -6.130 -1.091 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.637 -7.267 -2.299 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.361 -7.808 -0.626 1.00 1.80 H new ATOM 661 N MET A 45 69.968 -6.769 0.008 1.00 0.86 N ATOM 662 CA MET A 45 71.375 -6.281 0.074 1.00 1.06 C ATOM 663 C MET A 45 72.326 -7.320 -0.523 1.00 1.08 C ATOM 664 O MET A 45 73.212 -6.998 -1.291 1.00 1.14 O ATOM 665 CB MET A 45 71.657 -6.093 1.564 1.00 1.34 C ATOM 666 CG MET A 45 71.785 -4.601 1.877 1.00 1.88 C ATOM 667 SD MET A 45 73.383 -3.994 1.283 1.00 2.45 S ATOM 668 CE MET A 45 72.933 -2.246 1.165 1.00 3.35 C ATOM 0 H MET A 45 69.439 -6.686 0.876 1.00 0.86 H new ATOM 0 HA MET A 45 71.519 -5.359 -0.490 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.853 -6.531 2.155 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.575 -6.613 1.839 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.975 -4.048 1.402 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.697 -4.435 2.951 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.784 -1.676 0.793 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.092 -2.132 0.480 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.651 -1.876 2.151 1.00 3.35 H new ATOM 678 N ARG A 46 72.153 -8.564 -0.174 1.00 1.20 N ATOM 679 CA ARG A 46 73.048 -9.624 -0.716 1.00 1.46 C ATOM 680 C ARG A 46 72.911 -9.713 -2.240 1.00 1.52 C ATOM 681 O ARG A 46 73.783 -10.216 -2.920 1.00 1.73 O ATOM 682 CB ARG A 46 72.566 -10.917 -0.058 1.00 1.74 C ATOM 683 CG ARG A 46 73.758 -11.846 0.182 1.00 1.93 C ATOM 684 CD ARG A 46 73.515 -13.181 -0.527 1.00 2.48 C ATOM 685 NE ARG A 46 72.604 -13.935 0.378 1.00 2.64 N ATOM 686 CZ ARG A 46 71.968 -14.986 -0.063 1.00 3.08 C ATOM 687 NH1 ARG A 46 71.407 -14.962 -1.242 1.00 3.41 N ATOM 688 NH2 ARG A 46 71.893 -16.060 0.674 1.00 3.64 N ATOM 0 H ARG A 46 71.429 -8.893 0.465 1.00 1.20 H new ATOM 0 HA ARG A 46 74.099 -9.423 -0.507 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.070 -10.693 0.887 1.00 1.74 H new ATOM 0 HB3 ARG A 46 71.831 -11.409 -0.695 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.673 -11.385 -0.191 1.00 1.93 H new ATOM 0 HG3 ARG A 46 73.896 -12.009 1.251 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.063 -13.031 -1.507 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.449 -13.720 -0.686 1.00 2.48 H new ATOM 0 HE ARG A 46 72.477 -13.630 1.343 1.00 2.64 H new ATOM 0 HH11 ARG A 46 71.466 -14.122 -1.818 1.00 3.41 H new ATOM 0 HH12 ARG A 46 70.910 -15.783 -1.587 1.00 3.41 H new ATOM 0 HH21 ARG A 46 72.331 -16.078 1.595 1.00 3.64 H new ATOM 0 HH22 ARG A 46 71.396 -16.881 0.329 1.00 3.64 H new ATOM 702 N MET A 47 71.823 -9.235 -2.782 1.00 1.46 N ATOM 703 CA MET A 47 71.642 -9.303 -4.260 1.00 1.73 C ATOM 704 C MET A 47 72.421 -8.170 -4.946 1.00 1.75 C ATOM 705 O MET A 47 72.644 -8.194 -6.140 1.00 2.01 O ATOM 706 CB MET A 47 70.122 -9.187 -4.483 1.00 1.70 C ATOM 707 CG MET A 47 69.733 -7.767 -4.911 1.00 1.96 C ATOM 708 SD MET A 47 69.885 -7.616 -6.709 1.00 1.94 S ATOM 709 CE MET A 47 68.260 -8.288 -7.135 1.00 1.52 C ATOM 0 H MET A 47 71.056 -8.803 -2.268 1.00 1.46 H new ATOM 0 HA MET A 47 72.028 -10.227 -4.691 1.00 1.73 H new ATOM 0 HB2 MET A 47 69.808 -9.899 -5.246 1.00 1.70 H new ATOM 0 HB3 MET A 47 69.596 -9.451 -3.566 1.00 1.70 H new ATOM 0 HG2 MET A 47 68.710 -7.550 -4.602 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.376 -7.038 -4.418 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.871 -7.771 -8.012 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.352 -9.352 -7.353 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.577 -8.147 -6.297 1.00 1.52 H new ATOM 719 N LEU A 48 72.839 -7.182 -4.200 1.00 1.60 N ATOM 720 CA LEU A 48 73.606 -6.060 -4.817 1.00 1.69 C ATOM 721 C LEU A 48 75.093 -6.416 -4.878 1.00 1.68 C ATOM 722 O LEU A 48 75.880 -5.734 -5.505 1.00 1.99 O ATOM 723 CB LEU A 48 73.387 -4.855 -3.890 1.00 1.73 C ATOM 724 CG LEU A 48 72.048 -4.166 -4.194 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.827 -4.074 -5.705 1.00 1.86 C ATOM 726 CD2 LEU A 48 70.906 -4.964 -3.562 1.00 2.15 C ATOM 0 H LEU A 48 72.684 -7.103 -3.195 1.00 1.60 H new ATOM 0 HA LEU A 48 73.277 -5.852 -5.835 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.404 -5.183 -2.851 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.203 -4.143 -4.013 1.00 1.73 H new ATOM 0 HG LEU A 48 72.069 -3.159 -3.777 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.874 -3.583 -5.904 1.00 1.86 H new ATOM 0 HD12 LEU A 48 72.634 -3.496 -6.156 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.815 -5.077 -6.133 1.00 1.86 H new ATOM 0 HD21 LEU A 48 69.957 -4.474 -3.778 1.00 2.15 H new ATOM 0 HD22 LEU A 48 70.896 -5.973 -3.974 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.051 -5.014 -2.483 1.00 2.15 H new ATOM 738 N GLY A 49 75.485 -7.479 -4.231 1.00 1.63 N ATOM 739 CA GLY A 49 76.921 -7.877 -4.250 1.00 1.87 C ATOM 740 C GLY A 49 77.570 -7.507 -2.916 1.00 1.54 C ATOM 741 O GLY A 49 78.778 -7.456 -2.793 1.00 1.53 O ATOM 0 H GLY A 49 74.873 -8.089 -3.690 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.010 -8.949 -4.425 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.437 -7.376 -5.069 1.00 1.87 H new ATOM 745 N GLN A 50 76.776 -7.247 -1.912 1.00 1.37 N ATOM 746 CA GLN A 50 77.346 -6.880 -0.585 1.00 1.17 C ATOM 747 C GLN A 50 77.170 -8.034 0.405 1.00 1.24 C ATOM 748 O GLN A 50 76.721 -9.106 0.050 1.00 1.75 O ATOM 749 CB GLN A 50 76.541 -5.661 -0.134 1.00 1.29 C ATOM 750 CG GLN A 50 76.513 -4.623 -1.258 1.00 1.28 C ATOM 751 CD GLN A 50 77.284 -3.376 -0.820 1.00 1.41 C ATOM 752 OE1 GLN A 50 78.488 -3.414 -0.668 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.634 -2.263 -0.611 1.00 1.85 N ATOM 0 H GLN A 50 75.757 -7.273 -1.954 1.00 1.37 H new ATOM 0 HA GLN A 50 78.414 -6.668 -0.638 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.525 -5.959 0.126 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.986 -5.230 0.763 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.957 -5.039 -2.163 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.483 -4.361 -1.500 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.623 -2.231 -0.739 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.138 -1.425 -0.320 1.00 1.85 H new ATOM 762 N ASN A 51 77.520 -7.825 1.644 1.00 1.18 N ATOM 763 CA ASN A 51 77.373 -8.910 2.656 1.00 1.29 C ATOM 764 C ASN A 51 77.323 -8.314 4.065 1.00 1.07 C ATOM 765 O ASN A 51 78.097 -8.685 4.925 1.00 1.45 O ATOM 766 CB ASN A 51 78.617 -9.783 2.486 1.00 1.96 C ATOM 767 CG ASN A 51 78.254 -11.247 2.746 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.511 -11.547 3.659 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.750 -12.176 1.976 1.00 3.29 N ATOM 0 H ASN A 51 77.902 -6.949 2.000 1.00 1.18 H new ATOM 0 HA ASN A 51 76.454 -9.481 2.520 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.018 -9.670 1.479 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.396 -9.462 3.177 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.514 -13.155 2.141 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.374 -11.924 1.209 1.00 3.29 H new ATOM 776 N PRO A 52 76.407 -7.403 4.250 1.00 1.47 N ATOM 777 CA PRO A 52 76.247 -6.738 5.565 1.00 2.11 C ATOM 778 C PRO A 52 75.644 -7.710 6.585 1.00 1.79 C ATOM 779 O PRO A 52 74.976 -8.660 6.230 1.00 2.07 O ATOM 780 CB PRO A 52 75.284 -5.590 5.271 1.00 2.97 C ATOM 781 CG PRO A 52 74.524 -6.025 4.059 1.00 2.97 C ATOM 782 CD PRO A 52 75.445 -6.909 3.260 1.00 2.03 C ATOM 0 HA PRO A 52 77.190 -6.397 5.991 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.615 -5.410 6.113 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.822 -4.660 5.087 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.620 -6.565 4.343 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.209 -5.163 3.471 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.902 -7.728 2.787 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.941 -6.354 2.464 1.00 2.03 H new ATOM 790 N THR A 53 75.877 -7.479 7.848 1.00 1.42 N ATOM 791 CA THR A 53 75.318 -8.390 8.888 1.00 1.16 C ATOM 792 C THR A 53 73.922 -7.921 9.307 1.00 0.98 C ATOM 793 O THR A 53 73.481 -6.859 8.918 1.00 0.92 O ATOM 794 CB THR A 53 76.291 -8.294 10.064 1.00 1.19 C ATOM 795 OG1 THR A 53 76.989 -7.059 9.999 1.00 1.40 O ATOM 796 CG2 THR A 53 77.289 -9.451 9.999 1.00 1.36 C ATOM 0 H THR A 53 76.430 -6.700 8.205 1.00 1.42 H new ATOM 0 HA THR A 53 75.214 -9.413 8.527 1.00 1.16 H new ATOM 0 HB THR A 53 75.736 -8.349 11.001 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.612 -6.995 10.753 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.982 -9.381 10.838 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.752 -10.398 10.050 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.846 -9.399 9.063 1.00 1.36 H new ATOM 804 N PRO A 54 73.274 -8.737 10.092 1.00 0.99 N ATOM 805 CA PRO A 54 71.911 -8.407 10.576 1.00 1.04 C ATOM 806 C PRO A 54 71.972 -7.287 11.620 1.00 0.93 C ATOM 807 O PRO A 54 70.990 -6.624 11.889 1.00 0.94 O ATOM 808 CB PRO A 54 71.428 -9.711 11.202 1.00 1.19 C ATOM 809 CG PRO A 54 72.675 -10.446 11.578 1.00 1.18 C ATOM 810 CD PRO A 54 73.744 -10.031 10.600 1.00 1.10 C ATOM 0 HA PRO A 54 71.249 -8.050 9.787 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.803 -9.522 12.075 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.827 -10.287 10.499 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.972 -10.205 12.599 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.514 -11.523 11.539 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.716 -9.941 11.085 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.855 -10.759 9.797 1.00 1.10 H new ATOM 818 N GLU A 55 73.118 -7.071 12.204 1.00 0.98 N ATOM 819 CA GLU A 55 73.241 -5.993 13.227 1.00 1.08 C ATOM 820 C GLU A 55 73.476 -4.646 12.539 1.00 0.97 C ATOM 821 O GLU A 55 72.752 -3.693 12.752 1.00 1.01 O ATOM 822 CB GLU A 55 74.456 -6.382 14.069 1.00 1.28 C ATOM 823 CG GLU A 55 74.148 -6.145 15.548 1.00 2.15 C ATOM 824 CD GLU A 55 75.273 -5.321 16.179 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.000 -4.682 15.436 1.00 2.81 O ATOM 826 OE2 GLU A 55 75.389 -5.344 17.393 1.00 3.14 O ATOM 0 H GLU A 55 73.974 -7.593 12.018 1.00 0.98 H new ATOM 0 HA GLU A 55 72.342 -5.892 13.834 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.707 -7.429 13.902 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.323 -5.794 13.768 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.197 -5.622 15.653 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.047 -7.098 16.066 1.00 2.15 H new ATOM 833 N GLU A 56 74.483 -4.560 11.715 1.00 0.92 N ATOM 834 CA GLU A 56 74.766 -3.276 11.011 1.00 0.94 C ATOM 835 C GLU A 56 73.509 -2.782 10.291 1.00 0.84 C ATOM 836 O GLU A 56 73.302 -1.595 10.126 1.00 0.94 O ATOM 837 CB GLU A 56 75.865 -3.612 10.003 1.00 1.06 C ATOM 838 CG GLU A 56 77.165 -2.918 10.415 1.00 1.60 C ATOM 839 CD GLU A 56 78.343 -3.569 9.688 1.00 1.83 C ATOM 840 OE1 GLU A 56 78.116 -4.537 8.980 1.00 2.50 O ATOM 841 OE2 GLU A 56 79.453 -3.088 9.849 1.00 2.08 O ATOM 0 H GLU A 56 75.123 -5.324 11.498 1.00 0.92 H new ATOM 0 HA GLU A 56 75.071 -2.486 11.697 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.015 -4.691 9.958 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.569 -3.290 9.005 1.00 1.06 H new ATOM 0 HG2 GLU A 56 77.116 -1.856 10.172 1.00 1.60 H new ATOM 0 HG3 GLU A 56 77.303 -2.992 11.494 1.00 1.60 H new ATOM 848 N LEU A 57 72.667 -3.681 9.860 1.00 0.73 N ATOM 849 CA LEU A 57 71.424 -3.259 9.152 1.00 0.78 C ATOM 850 C LEU A 57 70.593 -2.341 10.052 1.00 0.80 C ATOM 851 O LEU A 57 70.572 -1.138 9.878 1.00 0.89 O ATOM 852 CB LEU A 57 70.669 -4.557 8.867 1.00 0.85 C ATOM 853 CG LEU A 57 70.820 -4.922 7.389 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.733 -6.440 7.225 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.699 -4.260 6.583 1.00 1.10 C ATOM 0 H LEU A 57 72.785 -4.688 9.967 1.00 0.73 H new ATOM 0 HA LEU A 57 71.636 -2.704 8.238 1.00 0.78 H new ATOM 0 HB2 LEU A 57 71.057 -5.361 9.492 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.615 -4.439 9.117 1.00 0.85 H new ATOM 0 HG LEU A 57 71.787 -4.572 7.027 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.841 -6.699 6.172 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.529 -6.914 7.798 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.767 -6.790 7.588 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.806 -4.520 5.530 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.733 -4.611 6.947 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.759 -3.178 6.698 1.00 1.10 H new ATOM 867 N GLN A 58 69.910 -2.898 11.014 1.00 0.81 N ATOM 868 CA GLN A 58 69.083 -2.056 11.927 1.00 0.95 C ATOM 869 C GLN A 58 69.853 -0.794 12.322 1.00 0.99 C ATOM 870 O GLN A 58 69.296 0.282 12.415 1.00 1.13 O ATOM 871 CB GLN A 58 68.831 -2.935 13.153 1.00 1.09 C ATOM 872 CG GLN A 58 67.884 -2.212 14.112 1.00 1.25 C ATOM 873 CD GLN A 58 66.591 -1.850 13.378 1.00 1.41 C ATOM 874 OE1 GLN A 58 66.163 -2.622 12.417 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.965 -0.854 13.682 1.00 1.74 N flip ATOM 0 H GLN A 58 69.888 -3.899 11.208 1.00 0.81 H new ATOM 0 HA GLN A 58 68.154 -1.729 11.461 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.399 -3.888 12.848 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.773 -3.158 13.654 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.662 -2.848 14.969 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.360 -1.311 14.499 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.300 -0.251 14.433 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.105 -0.621 13.186 1.00 1.74 H new ATOM 884 N GLU A 59 71.131 -0.917 12.557 1.00 0.97 N ATOM 885 CA GLU A 59 71.936 0.276 12.945 1.00 1.14 C ATOM 886 C GLU A 59 72.013 1.265 11.779 1.00 1.11 C ATOM 887 O GLU A 59 72.035 2.465 11.970 1.00 1.18 O ATOM 888 CB GLU A 59 73.324 -0.274 13.277 1.00 1.23 C ATOM 889 CG GLU A 59 74.133 0.792 14.018 1.00 1.60 C ATOM 890 CD GLU A 59 75.240 0.118 14.833 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.960 -0.295 15.947 1.00 2.77 O ATOM 892 OE2 GLU A 59 76.348 0.028 14.330 1.00 2.75 O ATOM 0 H GLU A 59 71.652 -1.792 12.497 1.00 0.97 H new ATOM 0 HA GLU A 59 71.499 0.813 13.787 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.234 -1.170 13.892 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.839 -0.566 12.362 1.00 1.23 H new ATOM 0 HG2 GLU A 59 74.567 1.494 13.306 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.481 1.367 14.676 1.00 1.60 H new ATOM 899 N MET A 60 72.051 0.771 10.573 1.00 1.11 N ATOM 900 CA MET A 60 72.125 1.685 9.396 1.00 1.18 C ATOM 901 C MET A 60 70.736 2.245 9.078 1.00 1.13 C ATOM 902 O MET A 60 70.594 3.376 8.657 1.00 1.25 O ATOM 903 CB MET A 60 72.632 0.814 8.246 1.00 1.22 C ATOM 904 CG MET A 60 74.054 1.238 7.872 1.00 1.62 C ATOM 905 SD MET A 60 74.551 0.401 6.345 1.00 1.82 S ATOM 906 CE MET A 60 74.704 1.880 5.313 1.00 2.02 C ATOM 0 H MET A 60 72.034 -0.224 10.350 1.00 1.11 H new ATOM 0 HA MET A 60 72.779 2.539 9.575 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.619 -0.236 8.538 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.973 0.913 7.383 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.099 2.319 7.738 1.00 1.62 H new ATOM 0 HG3 MET A 60 74.744 0.987 8.678 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.277 1.683 4.329 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.170 2.707 5.781 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.757 2.142 5.206 1.00 2.02 H new ATOM 916 N ILE A 61 69.710 1.462 9.276 1.00 1.04 N ATOM 917 CA ILE A 61 68.332 1.952 8.986 1.00 1.11 C ATOM 918 C ILE A 61 67.905 2.969 10.054 1.00 1.23 C ATOM 919 O ILE A 61 67.514 4.077 9.746 1.00 1.40 O ATOM 920 CB ILE A 61 67.451 0.692 9.017 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.279 0.175 7.589 1.00 1.17 C ATOM 922 CG2 ILE A 61 66.069 1.007 9.604 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.550 -1.327 7.556 1.00 1.14 C ATOM 0 H ILE A 61 69.766 0.505 9.626 1.00 1.04 H new ATOM 0 HA ILE A 61 68.255 2.464 8.027 1.00 1.11 H new ATOM 0 HB ILE A 61 67.933 -0.059 9.643 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.269 0.381 7.235 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.964 0.694 6.918 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.464 0.101 9.616 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.183 1.381 10.622 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.578 1.764 8.992 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.428 -1.697 6.538 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.569 -1.520 7.892 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.848 -1.838 8.214 1.00 1.14 H new ATOM 935 N ASP A 62 67.978 2.595 11.305 1.00 1.23 N ATOM 936 CA ASP A 62 67.576 3.532 12.397 1.00 1.43 C ATOM 937 C ASP A 62 68.050 4.954 12.088 1.00 1.48 C ATOM 938 O ASP A 62 67.419 5.923 12.461 1.00 1.67 O ATOM 939 CB ASP A 62 68.269 2.998 13.650 1.00 1.51 C ATOM 940 CG ASP A 62 68.049 3.970 14.810 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.594 5.060 14.755 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.339 3.608 15.733 1.00 2.13 O ATOM 0 H ASP A 62 68.299 1.679 11.618 1.00 1.23 H new ATOM 0 HA ASP A 62 66.494 3.582 12.515 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.874 2.015 13.906 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.336 2.874 13.463 1.00 1.51 H new ATOM 947 N GLU A 63 69.156 5.087 11.411 1.00 1.41 N ATOM 948 CA GLU A 63 69.667 6.448 11.081 1.00 1.52 C ATOM 949 C GLU A 63 68.961 6.989 9.836 1.00 1.47 C ATOM 950 O GLU A 63 68.492 8.110 9.813 1.00 1.80 O ATOM 951 CB GLU A 63 71.159 6.254 10.809 1.00 1.55 C ATOM 952 CG GLU A 63 71.924 6.248 12.134 1.00 2.11 C ATOM 953 CD GLU A 63 72.101 7.685 12.628 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.134 8.245 13.117 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.200 8.200 12.509 1.00 2.93 O ATOM 0 H GLU A 63 69.728 4.314 11.072 1.00 1.41 H new ATOM 0 HA GLU A 63 69.488 7.163 11.884 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.324 5.316 10.278 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.529 7.053 10.167 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.382 5.661 12.876 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.897 5.775 12.002 1.00 2.11 H new ATOM 962 N VAL A 64 68.881 6.200 8.801 1.00 1.33 N ATOM 963 CA VAL A 64 68.205 6.666 7.556 1.00 1.29 C ATOM 964 C VAL A 64 66.690 6.478 7.669 1.00 1.21 C ATOM 965 O VAL A 64 65.950 6.762 6.749 1.00 1.50 O ATOM 966 CB VAL A 64 68.773 5.783 6.445 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.298 5.734 6.560 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.208 4.369 6.583 1.00 1.31 C ATOM 0 H VAL A 64 69.255 5.252 8.763 1.00 1.33 H new ATOM 0 HA VAL A 64 68.377 7.725 7.366 1.00 1.29 H new ATOM 0 HB VAL A 64 68.495 6.195 5.475 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.703 5.104 5.768 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.703 6.742 6.465 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.577 5.321 7.530 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.611 3.737 5.792 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.488 3.959 7.553 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.121 4.402 6.502 1.00 1.31 H new ATOM 978 N ASP A 65 66.222 5.998 8.790 1.00 1.27 N ATOM 979 CA ASP A 65 64.754 5.791 8.955 1.00 1.38 C ATOM 980 C ASP A 65 64.053 7.128 9.211 1.00 2.07 C ATOM 981 O ASP A 65 64.272 7.775 10.216 1.00 2.61 O ATOM 982 CB ASP A 65 64.614 4.876 10.172 1.00 1.38 C ATOM 983 CG ASP A 65 63.393 3.973 9.992 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.645 4.199 9.055 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.225 3.069 10.795 1.00 2.59 O ATOM 0 H ASP A 65 66.791 5.741 9.597 1.00 1.27 H new ATOM 0 HA ASP A 65 64.299 5.359 8.064 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.513 4.271 10.291 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.509 5.472 11.078 1.00 1.38 H new ATOM 990 N GLU A 66 63.208 7.545 8.307 1.00 2.65 N ATOM 991 CA GLU A 66 62.490 8.838 8.498 1.00 3.74 C ATOM 992 C GLU A 66 61.247 8.623 9.367 1.00 4.00 C ATOM 993 O GLU A 66 60.573 9.560 9.745 1.00 4.93 O ATOM 994 CB GLU A 66 62.093 9.279 7.090 1.00 4.58 C ATOM 995 CG GLU A 66 60.964 8.384 6.575 1.00 5.25 C ATOM 996 CD GLU A 66 59.687 9.211 6.420 1.00 6.17 C ATOM 997 OE1 GLU A 66 59.106 9.563 7.434 1.00 6.67 O ATOM 998 OE2 GLU A 66 59.310 9.478 5.291 1.00 6.61 O ATOM 0 H GLU A 66 62.984 7.047 7.446 1.00 2.65 H new ATOM 0 HA GLU A 66 63.104 9.586 9.000 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.770 10.320 7.101 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.953 9.219 6.422 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.243 7.943 5.618 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.794 7.560 7.268 1.00 5.25 H new ATOM 1005 N ASP A 67 60.942 7.394 9.686 1.00 3.32 N ATOM 1006 CA ASP A 67 59.744 7.116 10.530 1.00 3.69 C ATOM 1007 C ASP A 67 60.087 6.077 11.602 1.00 3.25 C ATOM 1008 O ASP A 67 59.232 5.626 12.338 1.00 3.49 O ATOM 1009 CB ASP A 67 58.696 6.563 9.563 1.00 3.68 C ATOM 1010 CG ASP A 67 59.306 5.418 8.752 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.435 5.054 9.035 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.633 4.925 7.861 1.00 3.83 O ATOM 0 H ASP A 67 61.471 6.570 9.399 1.00 3.32 H new ATOM 0 HA ASP A 67 59.388 8.006 11.049 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.826 6.208 10.116 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.349 7.352 8.895 1.00 3.68 H new ATOM 1017 N GLY A 68 61.330 5.698 11.696 1.00 2.98 N ATOM 1018 CA GLY A 68 61.728 4.691 12.721 1.00 3.17 C ATOM 1019 C GLY A 68 60.754 3.512 12.685 1.00 2.42 C ATOM 1020 O GLY A 68 60.007 3.283 13.616 1.00 3.05 O ATOM 0 H GLY A 68 62.089 6.041 11.108 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.743 4.343 12.529 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.728 5.146 13.712 1.00 3.17 H new ATOM 1024 N SER A 69 60.757 2.760 11.619 1.00 1.46 N ATOM 1025 CA SER A 69 59.830 1.594 11.526 1.00 1.52 C ATOM 1026 C SER A 69 60.573 0.373 10.978 1.00 1.64 C ATOM 1027 O SER A 69 59.974 -0.623 10.622 1.00 2.49 O ATOM 1028 CB SER A 69 58.735 2.035 10.557 1.00 2.44 C ATOM 1029 OG SER A 69 59.327 2.704 9.452 1.00 2.71 O ATOM 0 H SER A 69 61.360 2.901 10.809 1.00 1.46 H new ATOM 0 HA SER A 69 59.424 1.310 12.497 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.169 1.170 10.212 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.031 2.696 11.062 1.00 2.44 H new ATOM 0 HG SER A 69 59.732 2.046 8.850 1.00 2.71 H new ATOM 1035 N GLY A 70 61.874 0.441 10.908 1.00 1.28 N ATOM 1036 CA GLY A 70 62.654 -0.714 10.382 1.00 1.43 C ATOM 1037 C GLY A 70 62.134 -1.094 8.996 1.00 1.29 C ATOM 1038 O GLY A 70 62.046 -2.256 8.652 1.00 1.59 O ATOM 0 H GLY A 70 62.431 1.247 11.193 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.712 -0.457 10.327 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.567 -1.563 11.060 1.00 1.43 H new ATOM 1042 N THR A 71 61.786 -0.124 8.195 1.00 0.89 N ATOM 1043 CA THR A 71 61.272 -0.434 6.830 1.00 0.79 C ATOM 1044 C THR A 71 61.982 0.426 5.783 1.00 0.76 C ATOM 1045 O THR A 71 62.377 1.545 6.046 1.00 0.83 O ATOM 1046 CB THR A 71 59.780 -0.097 6.882 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.615 1.242 7.327 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.071 -1.048 7.846 1.00 1.08 C ATOM 0 H THR A 71 61.835 0.868 8.426 1.00 0.89 H new ATOM 0 HA THR A 71 61.446 -1.473 6.552 1.00 0.79 H new ATOM 0 HB THR A 71 59.348 -0.207 5.887 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.660 1.460 7.360 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.009 -0.806 7.881 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.198 -2.075 7.503 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.500 -0.943 8.842 1.00 1.08 H new ATOM 1056 N VAL A 72 62.148 -0.090 4.596 1.00 0.73 N ATOM 1057 CA VAL A 72 62.832 0.692 3.528 1.00 0.77 C ATOM 1058 C VAL A 72 62.003 0.664 2.241 1.00 0.80 C ATOM 1059 O VAL A 72 61.745 -0.383 1.681 1.00 1.00 O ATOM 1060 CB VAL A 72 64.174 -0.013 3.322 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.785 0.420 1.987 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.125 0.361 4.460 1.00 1.13 C ATOM 0 H VAL A 72 61.839 -1.022 4.319 1.00 0.73 H new ATOM 0 HA VAL A 72 62.961 1.740 3.798 1.00 0.77 H new ATOM 0 HB VAL A 72 64.017 -1.092 3.315 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.741 -0.084 1.844 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.109 0.154 1.174 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.941 1.499 1.991 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.082 -0.141 4.314 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.278 1.440 4.466 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.694 0.050 5.412 1.00 1.13 H new ATOM 1072 N ASP A 73 61.585 1.806 1.768 1.00 0.77 N ATOM 1073 CA ASP A 73 60.773 1.842 0.517 1.00 0.83 C ATOM 1074 C ASP A 73 61.640 2.301 -0.658 1.00 0.87 C ATOM 1075 O ASP A 73 62.852 2.243 -0.608 1.00 0.87 O ATOM 1076 CB ASP A 73 59.663 2.856 0.792 1.00 0.85 C ATOM 1077 CG ASP A 73 59.073 2.605 2.182 1.00 1.80 C ATOM 1078 OD1 ASP A 73 59.673 3.049 3.146 1.00 2.57 O ATOM 1079 OD2 ASP A 73 58.033 1.972 2.256 1.00 2.47 O ATOM 0 H ASP A 73 61.770 2.715 2.192 1.00 0.77 H new ATOM 0 HA ASP A 73 60.372 0.863 0.255 1.00 0.83 H new ATOM 0 HB2 ASP A 73 60.059 3.870 0.731 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.884 2.772 0.034 1.00 0.85 H new ATOM 1084 N PHE A 74 61.028 2.755 -1.717 1.00 0.94 N ATOM 1085 CA PHE A 74 61.820 3.217 -2.895 1.00 0.98 C ATOM 1086 C PHE A 74 62.792 4.324 -2.477 1.00 0.86 C ATOM 1087 O PHE A 74 63.841 4.497 -3.065 1.00 0.83 O ATOM 1088 CB PHE A 74 60.784 3.756 -3.880 1.00 1.12 C ATOM 1089 CG PHE A 74 61.479 4.563 -4.952 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.663 4.086 -5.529 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.941 5.785 -5.368 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.308 4.833 -6.522 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.585 6.532 -6.360 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.769 6.057 -6.937 1.00 3.18 C ATOM 0 H PHE A 74 60.016 2.827 -1.819 1.00 0.94 H new ATOM 0 HA PHE A 74 62.419 2.417 -3.331 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.232 2.931 -4.331 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.057 4.377 -3.356 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.078 3.142 -5.208 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.028 6.152 -4.923 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.221 4.466 -6.968 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.169 7.475 -6.681 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.267 6.635 -7.702 1.00 3.18 H new ATOM 1104 N ASP A 75 62.452 5.075 -1.464 1.00 0.83 N ATOM 1105 CA ASP A 75 63.356 6.172 -1.011 1.00 0.76 C ATOM 1106 C ASP A 75 64.391 5.630 -0.021 1.00 0.69 C ATOM 1107 O ASP A 75 65.582 5.701 -0.252 1.00 0.65 O ATOM 1108 CB ASP A 75 62.439 7.185 -0.325 1.00 0.81 C ATOM 1109 CG ASP A 75 61.977 8.228 -1.344 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.371 7.839 -2.329 1.00 1.57 O ATOM 1111 OD2 ASP A 75 62.237 9.399 -1.122 1.00 1.49 O ATOM 0 H ASP A 75 61.588 4.977 -0.931 1.00 0.83 H new ATOM 0 HA ASP A 75 63.909 6.618 -1.838 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.577 6.677 0.107 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.966 7.672 0.495 1.00 0.81 H new ATOM 1116 N GLU A 76 63.946 5.092 1.082 1.00 0.77 N ATOM 1117 CA GLU A 76 64.904 4.550 2.088 1.00 0.78 C ATOM 1118 C GLU A 76 65.930 3.641 1.406 1.00 0.70 C ATOM 1119 O GLU A 76 67.034 3.469 1.883 1.00 0.70 O ATOM 1120 CB GLU A 76 64.038 3.748 3.060 1.00 0.95 C ATOM 1121 CG GLU A 76 62.894 4.627 3.568 1.00 1.51 C ATOM 1122 CD GLU A 76 62.421 4.114 4.929 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.065 4.431 5.917 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.422 3.413 4.963 1.00 1.72 O ATOM 0 H GLU A 76 62.961 5.004 1.330 1.00 0.77 H new ATOM 0 HA GLU A 76 65.465 5.336 2.593 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.639 2.864 2.563 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.641 3.398 3.898 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.227 5.662 3.653 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.069 4.615 2.856 1.00 1.51 H new ATOM 1131 N PHE A 77 65.575 3.059 0.294 1.00 0.72 N ATOM 1132 CA PHE A 77 66.531 2.163 -0.417 1.00 0.73 C ATOM 1133 C PHE A 77 67.646 2.990 -1.063 1.00 0.67 C ATOM 1134 O PHE A 77 68.787 2.942 -0.650 1.00 0.69 O ATOM 1135 CB PHE A 77 65.694 1.460 -1.486 1.00 0.84 C ATOM 1136 CG PHE A 77 66.407 0.212 -1.947 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.416 -0.929 -1.137 1.00 1.83 C ATOM 1138 CD2 PHE A 77 67.058 0.195 -3.187 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.076 -2.087 -1.565 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.717 -0.963 -3.617 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.725 -2.104 -2.805 1.00 1.46 C ATOM 0 H PHE A 77 64.664 3.165 -0.153 1.00 0.72 H new ATOM 0 HA PHE A 77 67.012 1.452 0.255 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.714 1.204 -1.084 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.528 2.129 -2.330 1.00 0.84 H new ATOM 0 HD1 PHE A 77 65.913 -0.916 -0.181 1.00 1.83 H new ATOM 0 HD2 PHE A 77 67.052 1.076 -3.812 1.00 1.32 H new ATOM 0 HE1 PHE A 77 67.084 -2.967 -0.939 1.00 2.03 H new ATOM 0 HE2 PHE A 77 68.218 -0.976 -4.573 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.233 -2.998 -3.136 1.00 1.46 H new ATOM 1151 N LEU A 78 67.322 3.750 -2.074 1.00 0.66 N ATOM 1152 CA LEU A 78 68.361 4.581 -2.746 1.00 0.68 C ATOM 1153 C LEU A 78 69.133 5.396 -1.706 1.00 0.62 C ATOM 1154 O LEU A 78 70.260 5.789 -1.924 1.00 0.64 O ATOM 1155 CB LEU A 78 67.583 5.498 -3.691 1.00 0.77 C ATOM 1156 CG LEU A 78 66.733 4.652 -4.645 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.205 5.534 -5.777 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.592 3.531 -5.234 1.00 1.41 C ATOM 0 H LEU A 78 66.383 3.831 -2.463 1.00 0.66 H new ATOM 0 HA LEU A 78 69.095 3.980 -3.282 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.944 6.170 -3.118 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.273 6.122 -4.259 1.00 0.77 H new ATOM 0 HG LEU A 78 65.894 4.221 -4.098 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.600 4.932 -6.455 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.594 6.334 -5.360 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.044 5.965 -6.324 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.988 2.928 -5.913 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.430 3.964 -5.780 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.970 2.901 -4.429 1.00 1.41 H new ATOM 1170 N VAL A 79 68.536 5.643 -0.572 1.00 0.59 N ATOM 1171 CA VAL A 79 69.243 6.421 0.485 1.00 0.61 C ATOM 1172 C VAL A 79 70.154 5.490 1.287 1.00 0.63 C ATOM 1173 O VAL A 79 71.072 5.923 1.955 1.00 0.68 O ATOM 1174 CB VAL A 79 68.133 6.985 1.373 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.751 7.833 2.487 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.198 7.857 0.532 1.00 0.70 C ATOM 0 H VAL A 79 67.592 5.341 -0.332 1.00 0.59 H new ATOM 0 HA VAL A 79 69.871 7.212 0.074 1.00 0.61 H new ATOM 0 HB VAL A 79 67.568 6.162 1.811 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.960 8.235 3.120 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.417 7.214 3.088 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.317 8.655 2.048 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.407 8.259 1.166 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.764 8.679 0.093 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.756 7.256 -0.262 1.00 0.70 H new ATOM 1186 N MET A 80 69.903 4.210 1.224 1.00 0.65 N ATOM 1187 CA MET A 80 70.748 3.240 1.979 1.00 0.72 C ATOM 1188 C MET A 80 72.087 3.028 1.267 1.00 0.71 C ATOM 1189 O MET A 80 72.986 2.404 1.795 1.00 0.76 O ATOM 1190 CB MET A 80 69.940 1.942 1.998 1.00 0.80 C ATOM 1191 CG MET A 80 70.602 0.944 2.951 1.00 1.12 C ATOM 1192 SD MET A 80 69.961 -0.717 2.623 1.00 2.17 S ATOM 1193 CE MET A 80 68.502 -0.610 3.688 1.00 2.77 C ATOM 0 H MET A 80 69.147 3.793 0.681 1.00 0.65 H new ATOM 0 HA MET A 80 70.979 3.593 2.984 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.917 2.142 2.317 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.884 1.521 0.994 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.684 0.961 2.819 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.403 1.225 3.985 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.460 -1.485 4.336 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.562 0.291 4.298 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.604 -0.571 3.072 1.00 2.77 H new ATOM 1203 N MET A 81 72.231 3.542 0.075 1.00 0.69 N ATOM 1204 CA MET A 81 73.525 3.363 -0.656 1.00 0.74 C ATOM 1205 C MET A 81 74.335 4.661 -0.616 1.00 0.75 C ATOM 1206 O MET A 81 75.526 4.665 -0.856 1.00 0.82 O ATOM 1207 CB MET A 81 73.196 2.985 -2.118 1.00 0.73 C ATOM 1208 CG MET A 81 71.684 2.903 -2.371 1.00 0.89 C ATOM 1209 SD MET A 81 70.987 1.512 -1.444 1.00 1.41 S ATOM 1210 CE MET A 81 72.147 0.249 -2.023 1.00 1.21 C ATOM 0 H MET A 81 71.517 4.074 -0.423 1.00 0.69 H new ATOM 0 HA MET A 81 74.120 2.579 -0.188 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.635 3.723 -2.790 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.655 2.025 -2.355 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.203 3.833 -2.067 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.490 2.777 -3.436 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.667 -0.729 -1.988 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.444 0.471 -3.048 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.029 0.244 -1.382 1.00 1.21 H new ATOM 1220 N VAL A 82 73.704 5.762 -0.313 1.00 0.72 N ATOM 1221 CA VAL A 82 74.449 7.052 -0.256 1.00 0.78 C ATOM 1222 C VAL A 82 75.229 7.151 1.058 1.00 0.81 C ATOM 1223 O VAL A 82 76.213 7.855 1.157 1.00 0.93 O ATOM 1224 CB VAL A 82 73.374 8.138 -0.324 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.042 9.507 -0.467 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.469 7.886 -1.530 1.00 1.36 C ATOM 0 H VAL A 82 72.708 5.825 -0.103 1.00 0.72 H new ATOM 0 HA VAL A 82 75.173 7.147 -1.066 1.00 0.78 H new ATOM 0 HB VAL A 82 72.778 8.116 0.588 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.277 10.282 -0.516 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.688 9.688 0.392 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.638 9.528 -1.380 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.703 8.660 -1.578 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.065 7.908 -2.443 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.993 6.910 -1.430 1.00 1.36 H new ATOM 1236 N ARG A 83 74.795 6.446 2.067 1.00 0.79 N ATOM 1237 CA ARG A 83 75.510 6.497 3.375 1.00 0.85 C ATOM 1238 C ARG A 83 76.389 5.254 3.542 1.00 0.90 C ATOM 1239 O ARG A 83 77.265 5.211 4.384 1.00 1.00 O ATOM 1240 CB ARG A 83 74.405 6.518 4.431 1.00 0.87 C ATOM 1241 CG ARG A 83 74.134 7.963 4.857 1.00 1.07 C ATOM 1242 CD ARG A 83 73.362 7.970 6.178 1.00 0.92 C ATOM 1243 NE ARG A 83 74.273 7.315 7.157 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.779 6.661 8.172 1.00 1.83 C ATOM 1245 NH1 ARG A 83 73.329 5.447 8.010 1.00 2.14 N ATOM 1246 NH2 ARG A 83 73.735 7.223 9.350 1.00 2.49 N ATOM 0 H ARG A 83 73.977 5.837 2.043 1.00 0.79 H new ATOM 0 HA ARG A 83 76.165 7.364 3.455 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.496 6.069 4.031 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.701 5.922 5.295 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.074 8.502 4.970 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.562 8.479 4.086 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.115 8.986 6.486 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.421 7.427 6.089 1.00 0.92 H new ATOM 0 HE ARG A 83 75.284 7.378 7.034 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.363 5.009 7.089 1.00 2.14 H new ATOM 0 HH12 ARG A 83 72.943 4.936 8.804 1.00 2.14 H new ATOM 0 HH21 ARG A 83 74.087 8.172 9.476 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.349 6.713 10.144 1.00 2.49 H new ATOM 1260 N SER A 84 76.165 4.244 2.746 1.00 0.92 N ATOM 1261 CA SER A 84 76.990 3.007 2.861 1.00 1.01 C ATOM 1262 C SER A 84 78.184 3.076 1.904 1.00 1.06 C ATOM 1263 O SER A 84 79.199 2.443 2.117 1.00 1.38 O ATOM 1264 CB SER A 84 76.051 1.868 2.465 1.00 1.04 C ATOM 1265 OG SER A 84 76.330 1.472 1.128 1.00 1.52 O ATOM 0 H SER A 84 75.447 4.222 2.022 1.00 0.92 H new ATOM 0 HA SER A 84 77.395 2.872 3.864 1.00 1.01 H new ATOM 0 HB2 SER A 84 76.180 1.023 3.141 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.013 2.190 2.552 1.00 1.04 H new ATOM 0 HG SER A 84 75.730 0.740 0.872 1.00 1.52 H new ATOM 1271 N MET A 85 78.069 3.841 0.853 1.00 0.00 N ATOM 1272 CA MET A 85 79.198 3.950 -0.116 1.00 0.00 C ATOM 1273 C MET A 85 80.222 4.977 0.377 1.00 0.00 C ATOM 1274 O MET A 85 80.673 5.824 -0.368 1.00 0.00 O ATOM 1275 CB MET A 85 78.556 4.420 -1.422 1.00 0.00 C ATOM 1276 CG MET A 85 78.022 3.212 -2.193 1.00 0.00 C ATOM 1277 SD MET A 85 78.619 3.272 -3.900 1.00 0.00 S ATOM 1278 CE MET A 85 77.026 3.615 -4.687 1.00 0.00 C ATOM 0 H MET A 85 77.244 4.395 0.623 1.00 0.00 H new ATOM 0 HA MET A 85 79.728 3.006 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.745 5.117 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.288 4.956 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.349 2.289 -1.715 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.932 3.210 -2.178 1.00 0.00 H new ATOM 0 HE1 MET A 85 77.162 3.694 -5.766 1.00 0.00 H new ATOM 0 HE2 MET A 85 76.330 2.806 -4.467 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.625 4.553 -4.303 1.00 0.00 H new