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 69 SER OG : rot -84:sc= 1.29 USER MOD Set 1.2: A 71 THR OG1 : rot -74:sc= 0.461 USER MOD Set 2.1: A 50 GLN : amide:sc= 1.13 X(o=2.4,f=2.1) USER MOD Set 2.2: A 84 SER OG : rot -108:sc= 1.23 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.0391 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00115 K(o=-0.0011,f=-0.53) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.77 USER MOD Single : A 16 GLN : amide:sc= -0.0667 K(o=-0.067,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 0.75 (180deg=0.571) USER MOD Single : A 18 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= -0.278 (180deg=-0.36) USER MOD Single : A 35 SER OG : rot 74:sc= -1.92! USER MOD Single : A 37 SER OG : rot 98:sc= 0.0361 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.534) USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= -0.132 (180deg=-1) USER MOD Single : A 45 MET CE :methyl -170:sc= -0.379 (180deg=-0.545) USER MOD Single : A 47 MET CE :methyl -136:sc= -4.52 (180deg=-9.36!) USER MOD Single : A 51 ASN : amide:sc= -0.97 K(o=-0.97,f=-3.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0405 F(o=-2!,f=-0.041) USER MOD Single : A 60 MET CE :methyl 156:sc= -0.0443 (180deg=-0.919) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 163:sc= -4.59! (180deg=-4.94!) USER MOD Single : A 85 MET CE :methyl -144:sc= -3.7! (180deg=-8.12!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 72.199 11.808 0.902 1.00 0.88 N ATOM 45 CA TYR A 5 72.041 10.577 0.074 1.00 0.86 C ATOM 46 C TYR A 5 70.955 10.790 -0.985 1.00 0.78 C ATOM 47 O TYR A 5 71.079 10.352 -2.110 1.00 0.79 O ATOM 48 CB TYR A 5 71.624 9.488 1.064 1.00 1.02 C ATOM 49 CG TYR A 5 72.511 9.549 2.284 1.00 1.22 C ATOM 50 CD1 TYR A 5 73.902 9.452 2.145 1.00 1.64 C ATOM 51 CD2 TYR A 5 71.945 9.706 3.555 1.00 1.94 C ATOM 52 CE1 TYR A 5 74.725 9.510 3.276 1.00 1.80 C ATOM 53 CE2 TYR A 5 72.769 9.763 4.686 1.00 2.20 C ATOM 54 CZ TYR A 5 74.158 9.665 4.547 1.00 1.77 C ATOM 55 OH TYR A 5 74.970 9.723 5.662 1.00 2.07 O ATOM 0 HA TYR A 5 72.955 10.314 -0.459 1.00 0.86 H new ATOM 0 HB2 TYR A 5 70.582 9.624 1.352 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.700 8.507 0.595 1.00 1.02 H new ATOM 0 HD1 TYR A 5 74.339 9.332 1.165 1.00 1.64 H new ATOM 0 HD2 TYR A 5 70.873 9.783 3.663 1.00 1.94 H new ATOM 0 HE1 TYR A 5 75.797 9.435 3.168 1.00 1.80 H new ATOM 0 HE2 TYR A 5 72.332 9.883 5.666 1.00 2.20 H new ATOM 0 HH TYR A 5 74.417 9.833 6.464 1.00 2.07 H new ATOM 65 N LYS A 6 69.893 11.459 -0.632 1.00 0.89 N ATOM 66 CA LYS A 6 68.801 11.699 -1.620 1.00 1.01 C ATOM 67 C LYS A 6 69.390 12.157 -2.957 1.00 0.98 C ATOM 68 O LYS A 6 68.956 11.740 -4.012 1.00 1.00 O ATOM 69 CB LYS A 6 67.947 12.806 -1.002 1.00 1.28 C ATOM 70 CG LYS A 6 66.534 12.746 -1.583 1.00 1.60 C ATOM 71 CD LYS A 6 66.498 13.495 -2.917 1.00 2.04 C ATOM 72 CE LYS A 6 65.338 14.492 -2.911 1.00 2.60 C ATOM 73 NZ LYS A 6 65.978 15.826 -3.078 1.00 3.24 N ATOM 0 H LYS A 6 69.733 11.850 0.296 1.00 0.89 H new ATOM 0 HA LYS A 6 68.219 10.800 -1.822 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.911 12.690 0.081 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.393 13.780 -1.204 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.233 11.709 -1.728 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.823 13.190 -0.886 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.440 14.018 -3.078 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.381 12.789 -3.739 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.636 14.287 -3.719 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.775 14.438 -1.979 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.245 16.564 -3.084 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.635 15.997 -2.290 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.501 15.850 -3.977 1.00 3.24 H new ATOM 87 N ALA A 7 70.375 13.012 -2.921 1.00 1.07 N ATOM 88 CA ALA A 7 70.990 13.495 -4.191 1.00 1.20 C ATOM 89 C ALA A 7 71.693 12.343 -4.912 1.00 1.08 C ATOM 90 O ALA A 7 71.654 12.239 -6.122 1.00 1.19 O ATOM 91 CB ALA A 7 72.003 14.556 -3.759 1.00 1.36 C ATOM 0 H ALA A 7 70.781 13.397 -2.068 1.00 1.07 H new ATOM 0 HA ALA A 7 70.249 13.895 -4.883 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.501 14.963 -4.639 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.487 15.358 -3.231 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.744 14.104 -3.099 1.00 1.36 H new ATOM 97 N ALA A 8 72.338 11.476 -4.179 1.00 0.95 N ATOM 98 CA ALA A 8 73.043 10.331 -4.825 1.00 0.96 C ATOM 99 C ALA A 8 72.028 9.363 -5.437 1.00 0.90 C ATOM 100 O ALA A 8 72.228 8.837 -6.514 1.00 1.01 O ATOM 101 CB ALA A 8 73.818 9.656 -3.695 1.00 0.98 C ATOM 0 H ALA A 8 72.407 11.511 -3.162 1.00 0.95 H new ATOM 0 HA ALA A 8 73.700 10.652 -5.633 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.366 8.800 -4.090 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.520 10.367 -3.260 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.122 9.318 -2.927 1.00 0.98 H new ATOM 107 N VAL A 9 70.938 9.123 -4.759 1.00 0.83 N ATOM 108 CA VAL A 9 69.911 8.190 -5.306 1.00 0.82 C ATOM 109 C VAL A 9 69.448 8.670 -6.684 1.00 0.97 C ATOM 110 O VAL A 9 69.161 7.882 -7.564 1.00 1.02 O ATOM 111 CB VAL A 9 68.757 8.241 -4.305 1.00 0.84 C ATOM 112 CG1 VAL A 9 67.498 7.651 -4.944 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.125 7.426 -3.064 1.00 0.70 C ATOM 0 H VAL A 9 70.715 9.532 -3.852 1.00 0.83 H new ATOM 0 HA VAL A 9 70.295 7.178 -5.432 1.00 0.82 H new ATOM 0 HB VAL A 9 68.569 9.276 -4.021 1.00 0.84 H new ATOM 0 HG11 VAL A 9 66.676 7.688 -4.229 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.235 8.229 -5.830 1.00 1.05 H new ATOM 0 HG13 VAL A 9 67.685 6.616 -5.228 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.303 7.461 -2.349 1.00 0.70 H new ATOM 0 HG22 VAL A 9 69.313 6.391 -3.351 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.022 7.844 -2.607 1.00 0.70 H new ATOM 123 N GLU A 10 69.376 9.958 -6.877 1.00 1.12 N ATOM 124 CA GLU A 10 68.937 10.493 -8.192 1.00 1.32 C ATOM 125 C GLU A 10 70.152 10.650 -9.113 1.00 1.37 C ATOM 126 O GLU A 10 70.020 10.852 -10.304 1.00 1.56 O ATOM 127 CB GLU A 10 68.299 11.848 -7.852 1.00 1.51 C ATOM 128 CG GLU A 10 68.468 12.828 -9.014 1.00 1.80 C ATOM 129 CD GLU A 10 67.650 12.347 -10.214 1.00 2.02 C ATOM 130 OE1 GLU A 10 66.444 12.229 -10.075 1.00 2.28 O ATOM 131 OE2 GLU A 10 68.244 12.105 -11.252 1.00 2.61 O ATOM 0 H GLU A 10 69.604 10.664 -6.177 1.00 1.12 H new ATOM 0 HA GLU A 10 68.237 9.843 -8.718 1.00 1.32 H new ATOM 0 HB2 GLU A 10 67.240 11.713 -7.634 1.00 1.51 H new ATOM 0 HB3 GLU A 10 68.760 12.258 -6.953 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.141 13.824 -8.714 1.00 1.80 H new ATOM 0 HG3 GLU A 10 69.520 12.907 -9.286 1.00 1.80 H new ATOM 138 N GLN A 11 71.334 10.553 -8.567 1.00 1.29 N ATOM 139 CA GLN A 11 72.559 10.692 -9.405 1.00 1.45 C ATOM 140 C GLN A 11 73.103 9.309 -9.769 1.00 1.35 C ATOM 141 O GLN A 11 73.994 9.175 -10.584 1.00 1.53 O ATOM 142 CB GLN A 11 73.556 11.444 -8.523 1.00 1.61 C ATOM 143 CG GLN A 11 73.940 12.765 -9.193 1.00 2.13 C ATOM 144 CD GLN A 11 75.089 13.413 -8.420 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.044 12.751 -8.062 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.040 14.688 -8.146 1.00 2.71 N ATOM 0 H GLN A 11 71.504 10.383 -7.576 1.00 1.29 H new ATOM 0 HA GLN A 11 72.366 11.217 -10.341 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.118 11.635 -7.543 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.445 10.835 -8.361 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.237 12.588 -10.227 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.081 13.435 -9.219 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.239 15.244 -8.446 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.803 15.129 -7.632 1.00 2.71 H new ATOM 155 N LEU A 12 72.572 8.277 -9.169 1.00 1.18 N ATOM 156 CA LEU A 12 73.056 6.900 -9.477 1.00 1.21 C ATOM 157 C LEU A 12 73.277 6.739 -10.983 1.00 1.11 C ATOM 158 O LEU A 12 72.789 7.517 -11.779 1.00 1.25 O ATOM 159 CB LEU A 12 71.936 5.970 -9.004 1.00 1.32 C ATOM 160 CG LEU A 12 72.097 5.674 -7.512 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.090 4.600 -7.097 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.516 5.171 -7.236 1.00 1.68 C ATOM 0 H LEU A 12 71.823 8.328 -8.478 1.00 1.18 H new ATOM 0 HA LEU A 12 74.006 6.681 -8.989 1.00 1.21 H new ATOM 0 HB2 LEU A 12 70.966 6.432 -9.189 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.960 5.040 -9.572 1.00 1.32 H new ATOM 0 HG LEU A 12 71.919 6.586 -6.942 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.203 4.387 -6.034 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.078 4.956 -7.291 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.271 3.691 -7.670 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.627 4.961 -6.172 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.696 4.260 -7.806 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.236 5.933 -7.533 1.00 1.68 H new ATOM 174 N THR A 13 74.004 5.731 -11.378 1.00 1.05 N ATOM 175 CA THR A 13 74.251 5.513 -12.832 1.00 1.13 C ATOM 176 C THR A 13 73.101 4.708 -13.442 1.00 0.94 C ATOM 177 O THR A 13 72.498 3.879 -12.791 1.00 0.87 O ATOM 178 CB THR A 13 75.557 4.720 -12.897 1.00 1.38 C ATOM 179 OG1 THR A 13 75.411 3.511 -12.167 1.00 1.89 O ATOM 180 CG2 THR A 13 76.691 5.551 -12.293 1.00 1.68 C ATOM 0 H THR A 13 74.438 5.048 -10.757 1.00 1.05 H new ATOM 0 HA THR A 13 74.317 6.448 -13.388 1.00 1.13 H new ATOM 0 HB THR A 13 75.793 4.490 -13.936 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.247 3.001 -12.209 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.621 4.985 -12.340 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.802 6.478 -12.855 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.459 5.782 -11.253 1.00 1.68 H new ATOM 188 N GLU A 14 72.788 4.948 -14.686 1.00 0.94 N ATOM 189 CA GLU A 14 71.673 4.195 -15.331 1.00 0.90 C ATOM 190 C GLU A 14 71.781 2.704 -15.002 1.00 0.82 C ATOM 191 O GLU A 14 70.793 2.000 -14.936 1.00 0.82 O ATOM 192 CB GLU A 14 71.850 4.428 -16.831 1.00 1.05 C ATOM 193 CG GLU A 14 70.580 3.997 -17.568 1.00 2.10 C ATOM 194 CD GLU A 14 70.357 4.903 -18.780 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.910 5.992 -18.790 1.00 2.91 O ATOM 196 OE2 GLU A 14 69.639 4.496 -19.677 1.00 3.31 O ATOM 0 H GLU A 14 73.254 5.631 -15.283 1.00 0.94 H new ATOM 0 HA GLU A 14 70.695 4.527 -14.981 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.056 5.481 -17.024 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.706 3.863 -17.199 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.668 2.959 -17.889 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.722 4.052 -16.898 1.00 2.10 H new ATOM 203 N GLU A 15 72.973 2.216 -14.795 1.00 0.92 N ATOM 204 CA GLU A 15 73.141 0.770 -14.473 1.00 1.01 C ATOM 205 C GLU A 15 72.871 0.525 -12.985 1.00 0.90 C ATOM 206 O GLU A 15 72.587 -0.581 -12.571 1.00 0.89 O ATOM 207 CB GLU A 15 74.597 0.454 -14.813 1.00 1.23 C ATOM 208 CG GLU A 15 74.794 -1.063 -14.853 1.00 1.92 C ATOM 209 CD GLU A 15 76.231 -1.402 -14.457 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.528 -1.349 -13.274 1.00 2.90 O ATOM 211 OE2 GLU A 15 77.013 -1.711 -15.342 1.00 2.80 O ATOM 0 H GLU A 15 73.838 2.755 -14.835 1.00 0.92 H new ATOM 0 HA GLU A 15 72.447 0.140 -15.030 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.860 0.891 -15.776 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.260 0.898 -14.070 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.094 -1.549 -14.173 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.582 -1.442 -15.853 1.00 1.92 H new ATOM 218 N GLN A 16 72.956 1.549 -12.180 1.00 0.89 N ATOM 219 CA GLN A 16 72.705 1.371 -10.721 1.00 0.87 C ATOM 220 C GLN A 16 71.207 1.488 -10.426 1.00 0.68 C ATOM 221 O GLN A 16 70.692 0.853 -9.528 1.00 0.67 O ATOM 222 CB GLN A 16 73.475 2.506 -10.045 1.00 0.97 C ATOM 223 CG GLN A 16 74.943 2.105 -9.885 1.00 1.77 C ATOM 224 CD GLN A 16 75.092 1.180 -8.675 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.920 -0.017 -8.787 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.408 1.689 -7.516 1.00 2.61 N ATOM 0 H GLN A 16 73.188 2.499 -12.469 1.00 0.89 H new ATOM 0 HA GLN A 16 73.025 0.393 -10.362 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.399 3.416 -10.640 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.039 2.725 -9.070 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.293 1.602 -10.786 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.561 2.993 -9.755 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.552 2.694 -7.423 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.511 1.081 -6.703 1.00 2.61 H new ATOM 235 N LYS A 17 70.503 2.294 -11.174 1.00 0.63 N ATOM 236 CA LYS A 17 69.040 2.447 -10.929 1.00 0.62 C ATOM 237 C LYS A 17 68.279 1.247 -11.497 1.00 0.60 C ATOM 238 O LYS A 17 67.206 0.908 -11.040 1.00 0.66 O ATOM 239 CB LYS A 17 68.648 3.728 -11.667 1.00 0.74 C ATOM 240 CG LYS A 17 69.280 4.934 -10.970 1.00 1.21 C ATOM 241 CD LYS A 17 68.555 6.210 -11.401 1.00 1.31 C ATOM 242 CE LYS A 17 69.440 7.422 -11.109 1.00 1.43 C ATOM 243 NZ LYS A 17 68.681 8.589 -11.640 1.00 2.06 N ATOM 0 H LYS A 17 70.876 2.852 -11.942 1.00 0.63 H new ATOM 0 HA LYS A 17 68.803 2.498 -9.866 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.980 3.679 -12.704 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.563 3.832 -11.685 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.218 4.816 -9.888 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.338 5.001 -11.224 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.320 6.166 -12.464 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.608 6.301 -10.868 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.627 7.526 -10.040 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.411 7.328 -11.595 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.065 9.466 -11.235 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.769 8.618 -12.676 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.678 8.498 -11.380 1.00 2.06 H new ATOM 257 N ASN A 18 68.824 0.604 -12.491 1.00 0.70 N ATOM 258 CA ASN A 18 68.130 -0.572 -13.089 1.00 0.85 C ATOM 259 C ASN A 18 68.225 -1.777 -12.148 1.00 0.70 C ATOM 260 O ASN A 18 67.233 -2.392 -11.810 1.00 0.66 O ATOM 261 CB ASN A 18 68.875 -0.851 -14.394 1.00 1.11 C ATOM 262 CG ASN A 18 68.237 -0.045 -15.527 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.035 0.125 -15.565 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.997 0.463 -16.458 1.00 2.13 N ATOM 0 H ASN A 18 69.720 0.841 -12.916 1.00 0.70 H new ATOM 0 HA ASN A 18 67.070 -0.384 -13.258 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.926 -0.583 -14.290 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.839 -1.916 -14.625 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.582 1.003 -17.217 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.006 0.320 -16.426 1.00 2.13 H new ATOM 271 N GLU A 19 69.411 -2.120 -11.725 1.00 0.76 N ATOM 272 CA GLU A 19 69.566 -3.285 -10.808 1.00 0.79 C ATOM 273 C GLU A 19 68.704 -3.094 -9.557 1.00 0.65 C ATOM 274 O GLU A 19 68.160 -4.037 -9.017 1.00 0.66 O ATOM 275 CB GLU A 19 71.050 -3.306 -10.440 1.00 0.98 C ATOM 276 CG GLU A 19 71.575 -4.742 -10.514 1.00 1.21 C ATOM 277 CD GLU A 19 71.509 -5.238 -11.960 1.00 1.82 C ATOM 278 OE1 GLU A 19 71.500 -4.406 -12.852 1.00 2.53 O ATOM 279 OE2 GLU A 19 71.469 -6.443 -12.150 1.00 2.44 O ATOM 0 H GLU A 19 70.278 -1.645 -11.974 1.00 0.76 H new ATOM 0 HA GLU A 19 69.248 -4.219 -11.271 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.613 -2.666 -11.120 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.192 -2.907 -9.436 1.00 0.98 H new ATOM 0 HG2 GLU A 19 72.602 -4.784 -10.151 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.982 -5.390 -9.869 1.00 1.21 H new ATOM 286 N PHE A 20 68.573 -1.881 -9.092 1.00 0.67 N ATOM 287 CA PHE A 20 67.743 -1.635 -7.878 1.00 0.75 C ATOM 288 C PHE A 20 66.257 -1.756 -8.225 1.00 0.66 C ATOM 289 O PHE A 20 65.551 -2.590 -7.693 1.00 0.79 O ATOM 290 CB PHE A 20 68.080 -0.207 -7.442 1.00 0.97 C ATOM 291 CG PHE A 20 69.566 -0.084 -7.178 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.365 -1.231 -7.066 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.145 1.185 -7.043 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.737 -1.109 -6.822 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.518 1.306 -6.799 1.00 3.29 C ATOM 296 CZ PHE A 20 72.314 0.159 -6.689 1.00 3.69 C ATOM 0 H PHE A 20 69.004 -1.051 -9.499 1.00 0.67 H new ATOM 0 HA PHE A 20 67.946 -2.356 -7.086 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.780 0.499 -8.216 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.520 0.049 -6.543 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.920 -2.210 -7.168 1.00 2.35 H new ATOM 0 HD2 PHE A 20 69.532 2.070 -7.127 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.351 -1.993 -6.736 1.00 3.36 H new ATOM 0 HE2 PHE A 20 71.964 2.284 -6.696 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.373 0.253 -6.501 1.00 3.69 H new ATOM 306 N LYS A 21 65.778 -0.933 -9.116 1.00 0.60 N ATOM 307 CA LYS A 21 64.339 -1.008 -9.499 1.00 0.65 C ATOM 308 C LYS A 21 63.929 -2.468 -9.702 1.00 0.57 C ATOM 309 O LYS A 21 62.936 -2.926 -9.172 1.00 0.57 O ATOM 310 CB LYS A 21 64.236 -0.235 -10.813 1.00 0.78 C ATOM 311 CG LYS A 21 63.816 1.208 -10.528 1.00 1.27 C ATOM 312 CD LYS A 21 64.615 2.156 -11.423 1.00 1.58 C ATOM 313 CE LYS A 21 65.192 3.294 -10.578 1.00 2.42 C ATOM 314 NZ LYS A 21 65.119 4.496 -11.455 1.00 2.88 N ATOM 0 H LYS A 21 66.319 -0.213 -9.595 1.00 0.60 H new ATOM 0 HA LYS A 21 63.683 -0.594 -8.733 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.195 -0.250 -11.331 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.510 -0.712 -11.471 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.749 1.331 -10.711 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.989 1.448 -9.479 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.420 1.613 -11.918 1.00 1.58 H new ATOM 0 HD3 LYS A 21 63.974 2.560 -12.206 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.618 3.437 -9.663 1.00 2.42 H new ATOM 0 HE3 LYS A 21 66.219 3.084 -10.280 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.633 5.283 -11.009 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.549 4.280 -12.377 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 64.124 4.766 -11.592 1.00 2.88 H new ATOM 328 N ALA A 22 64.692 -3.203 -10.465 1.00 0.59 N ATOM 329 CA ALA A 22 64.350 -4.635 -10.701 1.00 0.62 C ATOM 330 C ALA A 22 64.521 -5.437 -9.407 1.00 0.50 C ATOM 331 O ALA A 22 63.635 -6.156 -8.992 1.00 0.50 O ATOM 332 CB ALA A 22 65.343 -5.110 -11.762 1.00 0.76 C ATOM 0 H ALA A 22 65.536 -2.875 -10.934 1.00 0.59 H new ATOM 0 HA ALA A 22 63.317 -4.767 -11.023 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.156 -6.159 -11.991 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.222 -4.514 -12.666 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.360 -4.996 -11.386 1.00 0.76 H new ATOM 338 N ALA A 23 65.653 -5.318 -8.767 1.00 0.50 N ATOM 339 CA ALA A 23 65.875 -6.075 -7.500 1.00 0.53 C ATOM 340 C ALA A 23 64.801 -5.710 -6.471 1.00 0.46 C ATOM 341 O ALA A 23 64.028 -6.545 -6.046 1.00 0.52 O ATOM 342 CB ALA A 23 67.255 -5.634 -7.011 1.00 0.64 C ATOM 0 H ALA A 23 66.432 -4.731 -9.065 1.00 0.50 H new ATOM 0 HA ALA A 23 65.820 -7.153 -7.649 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.492 -6.148 -6.080 1.00 0.64 H new ATOM 0 HB2 ALA A 23 68.004 -5.881 -7.763 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.254 -4.557 -6.841 1.00 0.64 H new ATOM 348 N PHE A 24 64.748 -4.470 -6.069 1.00 0.47 N ATOM 349 CA PHE A 24 63.725 -4.053 -5.069 1.00 0.57 C ATOM 350 C PHE A 24 62.370 -4.683 -5.406 1.00 0.48 C ATOM 351 O PHE A 24 61.763 -5.347 -4.590 1.00 0.51 O ATOM 352 CB PHE A 24 63.652 -2.531 -5.186 1.00 0.77 C ATOM 353 CG PHE A 24 62.522 -2.013 -4.330 1.00 0.90 C ATOM 354 CD1 PHE A 24 62.758 -1.668 -2.994 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.238 -1.878 -4.872 1.00 1.54 C ATOM 356 CE1 PHE A 24 61.710 -1.187 -2.200 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.190 -1.396 -4.078 1.00 1.62 C ATOM 358 CZ PHE A 24 60.425 -1.051 -2.742 1.00 1.25 C ATOM 0 H PHE A 24 65.369 -3.727 -6.390 1.00 0.47 H new ATOM 0 HA PHE A 24 63.982 -4.371 -4.059 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.595 -2.086 -4.870 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.496 -2.243 -6.226 1.00 0.77 H new ATOM 0 HD1 PHE A 24 63.748 -1.773 -2.576 1.00 1.58 H new ATOM 0 HD2 PHE A 24 61.056 -2.146 -5.902 1.00 1.54 H new ATOM 0 HE1 PHE A 24 61.892 -0.921 -1.169 1.00 1.72 H new ATOM 0 HE2 PHE A 24 59.200 -1.290 -4.497 1.00 1.62 H new ATOM 0 HZ PHE A 24 59.617 -0.680 -2.129 1.00 1.25 H new ATOM 368 N ASP A 25 61.894 -4.482 -6.604 1.00 0.45 N ATOM 369 CA ASP A 25 60.580 -5.071 -6.993 1.00 0.53 C ATOM 370 C ASP A 25 60.591 -6.583 -6.751 1.00 0.52 C ATOM 371 O ASP A 25 59.697 -7.129 -6.136 1.00 0.60 O ATOM 372 CB ASP A 25 60.433 -4.767 -8.483 1.00 0.66 C ATOM 373 CG ASP A 25 59.624 -3.481 -8.665 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.852 -2.549 -7.911 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.789 -3.452 -9.554 1.00 1.52 O ATOM 0 H ASP A 25 62.357 -3.936 -7.330 1.00 0.45 H new ATOM 0 HA ASP A 25 59.754 -4.660 -6.412 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.416 -4.659 -8.941 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.936 -5.596 -8.987 1.00 0.66 H new ATOM 380 N ILE A 26 61.597 -7.261 -7.230 1.00 0.50 N ATOM 381 CA ILE A 26 61.665 -8.737 -7.026 1.00 0.63 C ATOM 382 C ILE A 26 61.538 -9.070 -5.538 1.00 0.70 C ATOM 383 O ILE A 26 60.956 -10.067 -5.161 1.00 0.94 O ATOM 384 CB ILE A 26 63.043 -9.145 -7.546 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.127 -8.856 -9.047 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.259 -10.639 -7.301 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.591 -8.681 -9.452 1.00 0.69 C ATOM 0 H ILE A 26 62.374 -6.858 -7.753 1.00 0.50 H new ATOM 0 HA ILE A 26 60.861 -9.262 -7.541 1.00 0.63 H new ATOM 0 HB ILE A 26 63.812 -8.577 -7.023 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.678 -9.673 -9.611 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.562 -7.955 -9.287 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.242 -10.930 -7.672 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.199 -10.845 -6.232 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.491 -11.208 -7.824 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.651 -8.475 -10.521 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.025 -7.849 -8.897 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.142 -9.594 -9.227 1.00 0.69 H new ATOM 399 N PHE A 27 62.083 -8.242 -4.691 1.00 0.61 N ATOM 400 CA PHE A 27 62.000 -8.509 -3.226 1.00 0.79 C ATOM 401 C PHE A 27 60.656 -8.026 -2.672 1.00 0.76 C ATOM 402 O PHE A 27 60.130 -8.579 -1.727 1.00 1.03 O ATOM 403 CB PHE A 27 63.149 -7.708 -2.613 1.00 0.91 C ATOM 404 CG PHE A 27 64.460 -8.393 -2.920 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.763 -9.623 -2.324 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.373 -7.795 -3.797 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.979 -10.256 -2.606 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.590 -8.428 -4.078 1.00 3.07 C ATOM 409 CZ PHE A 27 66.893 -9.658 -3.482 1.00 3.21 C ATOM 0 H PHE A 27 62.583 -7.391 -4.949 1.00 0.61 H new ATOM 0 HA PHE A 27 62.073 -9.572 -2.997 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.154 -6.694 -3.013 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.014 -7.625 -1.535 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.059 -10.083 -1.647 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.139 -6.846 -4.256 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.212 -11.206 -2.148 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.295 -7.967 -4.754 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.832 -10.146 -3.698 1.00 3.21 H new ATOM 419 N VAL A 28 60.098 -6.999 -3.252 1.00 0.63 N ATOM 420 CA VAL A 28 58.792 -6.483 -2.758 1.00 0.65 C ATOM 421 C VAL A 28 57.646 -7.308 -3.356 1.00 0.65 C ATOM 422 O VAL A 28 56.486 -7.063 -3.087 1.00 0.74 O ATOM 423 CB VAL A 28 58.756 -5.022 -3.231 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.324 -4.601 -3.576 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.287 -4.125 -2.113 1.00 1.47 C ATOM 0 H VAL A 28 60.491 -6.495 -4.047 1.00 0.63 H new ATOM 0 HA VAL A 28 58.680 -6.553 -1.676 1.00 0.65 H new ATOM 0 HB VAL A 28 59.374 -4.924 -4.123 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.320 -3.563 -3.909 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.939 -5.239 -4.372 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.693 -4.701 -2.693 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.265 -3.085 -2.439 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.663 -4.240 -1.227 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.312 -4.409 -1.874 1.00 1.47 H new ATOM 435 N LEU A 29 57.962 -8.287 -4.157 1.00 0.92 N ATOM 436 CA LEU A 29 56.892 -9.129 -4.763 1.00 0.99 C ATOM 437 C LEU A 29 55.926 -9.610 -3.679 1.00 0.99 C ATOM 438 O LEU A 29 54.748 -9.791 -3.917 1.00 1.10 O ATOM 439 CB LEU A 29 57.631 -10.315 -5.376 1.00 1.43 C ATOM 440 CG LEU A 29 57.483 -10.282 -6.898 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.007 -10.421 -7.273 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.021 -8.953 -7.434 1.00 2.45 C ATOM 0 H LEU A 29 58.915 -8.541 -4.418 1.00 0.92 H new ATOM 0 HA LEU A 29 56.302 -8.585 -5.500 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.686 -10.280 -5.102 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.230 -11.249 -4.982 1.00 1.43 H new ATOM 0 HG LEU A 29 58.047 -11.107 -7.334 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.903 -10.397 -8.358 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.622 -11.367 -6.892 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.442 -9.598 -6.836 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.916 -8.929 -8.519 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.457 -8.129 -6.996 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.074 -8.853 -7.169 1.00 2.45 H new ATOM 454 N GLY A 30 56.418 -9.817 -2.489 1.00 1.16 N ATOM 455 CA GLY A 30 55.535 -10.287 -1.386 1.00 1.58 C ATOM 456 C GLY A 30 55.723 -9.386 -0.167 1.00 1.39 C ATOM 457 O GLY A 30 55.217 -9.658 0.905 1.00 1.89 O ATOM 0 H GLY A 30 57.396 -9.680 -2.233 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.493 -10.271 -1.707 1.00 1.58 H new ATOM 0 HA3 GLY A 30 55.773 -11.319 -1.129 1.00 1.58 H new ATOM 461 N ALA A 31 56.450 -8.312 -0.320 1.00 0.90 N ATOM 462 CA ALA A 31 56.674 -7.389 0.832 1.00 0.95 C ATOM 463 C ALA A 31 55.362 -7.153 1.590 1.00 1.15 C ATOM 464 O ALA A 31 54.298 -7.532 1.142 1.00 1.41 O ATOM 465 CB ALA A 31 57.171 -6.088 0.205 1.00 0.97 C ATOM 0 H ALA A 31 56.899 -8.033 -1.192 1.00 0.90 H new ATOM 0 HA ALA A 31 57.385 -7.794 1.551 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.359 -5.355 0.989 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.094 -6.278 -0.344 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.415 -5.702 -0.479 1.00 0.97 H new ATOM 471 N GLU A 32 55.431 -6.527 2.734 1.00 1.35 N ATOM 472 CA GLU A 32 54.187 -6.267 3.517 1.00 1.90 C ATOM 473 C GLU A 32 53.601 -4.900 3.150 1.00 2.05 C ATOM 474 O GLU A 32 52.403 -4.700 3.178 1.00 2.79 O ATOM 475 CB GLU A 32 54.629 -6.285 4.982 1.00 2.37 C ATOM 476 CG GLU A 32 53.951 -7.449 5.707 1.00 2.44 C ATOM 477 CD GLU A 32 54.991 -8.221 6.521 1.00 2.83 C ATOM 478 OE1 GLU A 32 55.868 -7.583 7.082 1.00 3.24 O ATOM 479 OE2 GLU A 32 54.895 -9.436 6.569 1.00 3.29 O ATOM 0 H GLU A 32 56.292 -6.185 3.160 1.00 1.35 H new ATOM 0 HA GLU A 32 53.412 -7.007 3.315 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.713 -6.386 5.044 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.368 -5.342 5.463 1.00 2.37 H new ATOM 0 HG2 GLU A 32 53.166 -7.074 6.363 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.474 -8.112 4.985 1.00 2.44 H new ATOM 486 N ASP A 33 54.436 -3.959 2.803 1.00 1.80 N ATOM 487 CA ASP A 33 53.924 -2.607 2.433 1.00 2.11 C ATOM 488 C ASP A 33 54.621 -2.105 1.166 1.00 1.47 C ATOM 489 O ASP A 33 55.039 -0.966 1.086 1.00 1.80 O ATOM 490 CB ASP A 33 54.268 -1.713 3.625 1.00 3.12 C ATOM 491 CG ASP A 33 53.200 -0.627 3.774 1.00 3.68 C ATOM 492 OD1 ASP A 33 52.042 -0.927 3.532 1.00 4.12 O ATOM 493 OD2 ASP A 33 53.558 0.484 4.127 1.00 4.09 O ATOM 0 H ASP A 33 55.449 -4.067 2.759 1.00 1.80 H new ATOM 0 HA ASP A 33 52.854 -2.614 2.224 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.325 -2.309 4.536 1.00 3.12 H new ATOM 0 HB3 ASP A 33 55.248 -1.257 3.481 1.00 3.12 H new ATOM 498 N GLY A 34 54.750 -2.945 0.176 1.00 1.10 N ATOM 499 CA GLY A 34 55.419 -2.515 -1.085 1.00 1.40 C ATOM 500 C GLY A 34 56.810 -1.966 -0.766 1.00 1.17 C ATOM 501 O GLY A 34 57.228 -0.958 -1.301 1.00 1.39 O ATOM 0 H GLY A 34 54.421 -3.911 0.185 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.498 -3.357 -1.772 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.821 -1.752 -1.584 1.00 1.40 H new ATOM 505 N SER A 35 57.533 -2.620 0.101 1.00 0.84 N ATOM 506 CA SER A 35 58.899 -2.135 0.452 1.00 0.70 C ATOM 507 C SER A 35 59.729 -3.280 1.037 1.00 0.67 C ATOM 508 O SER A 35 59.285 -4.409 1.104 1.00 0.80 O ATOM 509 CB SER A 35 58.677 -1.044 1.499 1.00 0.75 C ATOM 510 OG SER A 35 57.344 -0.558 1.396 1.00 1.04 O ATOM 0 H SER A 35 57.237 -3.470 0.582 1.00 0.84 H new ATOM 0 HA SER A 35 59.441 -1.760 -0.416 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.855 -1.441 2.498 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.386 -0.230 1.348 1.00 0.75 H new ATOM 0 HG SER A 35 56.724 -1.223 1.762 1.00 1.04 H new ATOM 516 N ILE A 36 60.930 -2.998 1.461 1.00 0.69 N ATOM 517 CA ILE A 36 61.789 -4.073 2.041 1.00 0.78 C ATOM 518 C ILE A 36 62.378 -3.604 3.374 1.00 0.71 C ATOM 519 O ILE A 36 63.252 -2.762 3.416 1.00 0.98 O ATOM 520 CB ILE A 36 62.911 -4.348 1.020 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.997 -3.227 -0.028 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.631 -5.674 0.310 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.922 -3.660 -1.167 1.00 1.22 C ATOM 0 H ILE A 36 61.355 -2.071 1.432 1.00 0.69 H new ATOM 0 HA ILE A 36 61.215 -4.979 2.233 1.00 0.78 H new ATOM 0 HB ILE A 36 63.859 -4.393 1.556 1.00 1.00 H new ATOM 0 HG12 ILE A 36 62.004 -3.003 -0.418 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.373 -2.313 0.432 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.422 -5.873 -0.413 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.599 -6.480 1.043 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.673 -5.615 -0.207 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.982 -2.864 -1.909 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.917 -3.862 -0.771 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.527 -4.562 -1.634 1.00 1.22 H new ATOM 535 N SER A 37 61.900 -4.141 4.463 1.00 0.87 N ATOM 536 CA SER A 37 62.423 -3.725 5.796 1.00 0.87 C ATOM 537 C SER A 37 63.737 -4.446 6.106 1.00 0.76 C ATOM 538 O SER A 37 64.173 -5.309 5.371 1.00 0.87 O ATOM 539 CB SER A 37 61.340 -4.139 6.792 1.00 1.12 C ATOM 540 OG SER A 37 61.954 -4.676 7.956 1.00 1.52 O ATOM 0 H SER A 37 61.168 -4.851 4.488 1.00 0.87 H new ATOM 0 HA SER A 37 62.633 -2.656 5.838 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.724 -3.279 7.055 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.679 -4.879 6.341 1.00 1.12 H new ATOM 0 HG SER A 37 62.002 -3.985 8.649 1.00 1.52 H new ATOM 546 N THR A 38 64.367 -4.097 7.193 1.00 0.71 N ATOM 547 CA THR A 38 65.653 -4.758 7.558 1.00 0.65 C ATOM 548 C THR A 38 65.547 -6.273 7.359 1.00 0.70 C ATOM 549 O THR A 38 66.520 -6.939 7.070 1.00 1.37 O ATOM 550 CB THR A 38 65.881 -4.423 9.034 1.00 0.76 C ATOM 551 OG1 THR A 38 66.790 -5.358 9.596 1.00 1.55 O ATOM 552 CG2 THR A 38 64.553 -4.485 9.787 1.00 1.00 C ATOM 0 H THR A 38 64.047 -3.382 7.846 1.00 0.71 H new ATOM 0 HA THR A 38 66.479 -4.413 6.936 1.00 0.65 H new ATOM 0 HB THR A 38 66.295 -3.418 9.117 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.938 -5.143 10.541 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.719 -4.246 10.837 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.857 -3.765 9.357 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.135 -5.488 9.705 1.00 1.00 H new ATOM 560 N LYS A 39 64.372 -6.820 7.509 1.00 0.60 N ATOM 561 CA LYS A 39 64.207 -8.291 7.322 1.00 0.66 C ATOM 562 C LYS A 39 64.031 -8.615 5.836 1.00 0.64 C ATOM 563 O LYS A 39 64.275 -9.722 5.399 1.00 0.87 O ATOM 564 CB LYS A 39 62.944 -8.651 8.106 1.00 0.81 C ATOM 565 CG LYS A 39 63.262 -9.772 9.099 1.00 1.42 C ATOM 566 CD LYS A 39 63.875 -10.958 8.351 1.00 1.58 C ATOM 567 CE LYS A 39 63.197 -12.253 8.803 1.00 2.15 C ATOM 568 NZ LYS A 39 63.495 -12.355 10.259 1.00 2.80 N ATOM 0 H LYS A 39 63.520 -6.314 7.752 1.00 0.60 H new ATOM 0 HA LYS A 39 65.074 -8.854 7.669 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.571 -7.775 8.637 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.157 -8.969 7.422 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.954 -9.412 9.861 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.354 -10.084 9.615 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.752 -10.827 7.276 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.946 -11.009 8.545 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.123 -12.221 8.621 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.587 -13.113 8.259 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.506 -13.356 10.542 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.424 -11.930 10.454 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.763 -11.850 10.799 1.00 2.80 H new ATOM 582 N GLU A 40 63.609 -7.656 5.057 1.00 0.63 N ATOM 583 CA GLU A 40 63.418 -7.903 3.602 1.00 0.68 C ATOM 584 C GLU A 40 64.592 -7.319 2.811 1.00 0.66 C ATOM 585 O GLU A 40 64.948 -7.805 1.756 1.00 0.83 O ATOM 586 CB GLU A 40 62.119 -7.178 3.249 1.00 0.86 C ATOM 587 CG GLU A 40 61.097 -8.184 2.718 1.00 1.05 C ATOM 588 CD GLU A 40 61.749 -9.059 1.646 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.751 -8.637 1.094 1.00 1.92 O ATOM 590 OE2 GLU A 40 61.235 -10.138 1.397 1.00 2.32 O ATOM 0 H GLU A 40 63.388 -6.710 5.368 1.00 0.63 H new ATOM 0 HA GLU A 40 63.371 -8.965 3.362 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.723 -6.672 4.129 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.311 -6.410 2.500 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.726 -8.805 3.533 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.238 -7.659 2.301 1.00 1.05 H new ATOM 597 N LEU A 41 65.197 -6.277 3.316 1.00 0.73 N ATOM 598 CA LEU A 41 66.348 -5.660 2.596 1.00 0.80 C ATOM 599 C LEU A 41 67.598 -6.531 2.753 1.00 0.72 C ATOM 600 O LEU A 41 68.464 -6.549 1.902 1.00 0.81 O ATOM 601 CB LEU A 41 66.553 -4.302 3.271 1.00 1.10 C ATOM 602 CG LEU A 41 67.278 -3.354 2.314 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.700 -3.864 2.069 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.522 -3.293 0.986 1.00 1.83 C ATOM 0 H LEU A 41 64.944 -5.827 4.196 1.00 0.73 H new ATOM 0 HA LEU A 41 66.162 -5.561 1.527 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.590 -3.879 3.558 1.00 1.10 H new ATOM 0 HB3 LEU A 41 67.133 -4.424 4.186 1.00 1.10 H new ATOM 0 HG LEU A 41 67.321 -2.358 2.754 1.00 1.23 H new ATOM 0 HD11 LEU A 41 69.216 -3.188 1.387 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.239 -3.907 3.015 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.658 -4.861 1.630 1.00 1.94 H new ATOM 0 HD21 LEU A 41 67.038 -2.618 0.304 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.478 -4.289 0.546 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.510 -2.929 1.160 1.00 1.83 H new ATOM 616 N GLY A 42 67.697 -7.253 3.836 1.00 0.72 N ATOM 617 CA GLY A 42 68.889 -8.121 4.046 1.00 0.91 C ATOM 618 C GLY A 42 69.157 -8.937 2.780 1.00 0.78 C ATOM 619 O GLY A 42 70.267 -8.992 2.289 1.00 0.84 O ATOM 0 H GLY A 42 67.004 -7.279 4.584 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.759 -7.510 4.288 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.722 -8.787 4.892 1.00 0.91 H new ATOM 623 N LYS A 43 68.148 -9.571 2.247 1.00 0.77 N ATOM 624 CA LYS A 43 68.347 -10.383 1.012 1.00 0.86 C ATOM 625 C LYS A 43 68.625 -9.467 -0.183 1.00 0.79 C ATOM 626 O LYS A 43 69.202 -9.878 -1.172 1.00 0.99 O ATOM 627 CB LYS A 43 67.030 -11.135 0.818 1.00 0.95 C ATOM 628 CG LYS A 43 67.307 -12.499 0.183 1.00 1.34 C ATOM 629 CD LYS A 43 66.748 -13.604 1.080 1.00 2.13 C ATOM 630 CE LYS A 43 67.844 -14.100 2.027 1.00 2.65 C ATOM 631 NZ LYS A 43 68.809 -14.835 1.159 1.00 2.98 N ATOM 0 H LYS A 43 67.196 -9.562 2.612 1.00 0.77 H new ATOM 0 HA LYS A 43 69.196 -11.062 1.095 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.529 -11.264 1.777 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.359 -10.556 0.183 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.849 -12.552 -0.805 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.379 -12.636 0.045 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.901 -13.227 1.653 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.379 -14.429 0.471 1.00 2.13 H new ATOM 0 HE2 LYS A 43 68.329 -13.268 2.538 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.433 -14.752 2.798 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 69.110 -15.708 1.637 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 68.351 -15.074 0.256 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 69.639 -14.235 0.978 1.00 2.98 H new ATOM 645 N VAL A 44 68.219 -8.230 -0.102 1.00 0.72 N ATOM 646 CA VAL A 44 68.459 -7.289 -1.234 1.00 0.93 C ATOM 647 C VAL A 44 69.903 -6.780 -1.204 1.00 0.89 C ATOM 648 O VAL A 44 70.452 -6.381 -2.210 1.00 1.06 O ATOM 649 CB VAL A 44 67.479 -6.139 -1.007 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.760 -5.021 -2.012 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.049 -6.647 -1.199 1.00 1.80 C ATOM 0 H VAL A 44 67.731 -7.829 0.699 1.00 0.72 H new ATOM 0 HA VAL A 44 68.312 -7.764 -2.204 1.00 0.93 H new ATOM 0 HB VAL A 44 67.598 -5.754 0.006 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.060 -4.201 -1.849 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.780 -4.660 -1.879 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.640 -5.404 -3.025 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.347 -5.829 -1.038 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.932 -7.031 -2.213 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.847 -7.444 -0.484 1.00 1.80 H new ATOM 661 N MET A 45 70.520 -6.790 -0.055 1.00 0.86 N ATOM 662 CA MET A 45 71.928 -6.307 0.039 1.00 1.06 C ATOM 663 C MET A 45 72.898 -7.401 -0.419 1.00 1.08 C ATOM 664 O MET A 45 73.796 -7.160 -1.199 1.00 1.14 O ATOM 665 CB MET A 45 72.140 -5.990 1.519 1.00 1.34 C ATOM 666 CG MET A 45 71.980 -4.487 1.749 1.00 1.88 C ATOM 667 SD MET A 45 73.434 -3.852 2.620 1.00 2.45 S ATOM 668 CE MET A 45 72.704 -3.804 4.275 1.00 3.35 C ATOM 0 H MET A 45 70.111 -7.111 0.823 1.00 0.86 H new ATOM 0 HA MET A 45 72.108 -5.439 -0.595 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.420 -6.540 2.126 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.133 -6.312 1.832 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.861 -3.973 0.795 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.080 -4.291 2.331 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.373 -3.273 4.952 1.00 3.35 H new ATOM 0 HE2 MET A 45 71.744 -3.289 4.235 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.555 -4.821 4.636 1.00 3.35 H new ATOM 678 N ARG A 46 72.726 -8.600 0.067 1.00 1.20 N ATOM 679 CA ARG A 46 73.642 -9.707 -0.335 1.00 1.46 C ATOM 680 C ARG A 46 73.428 -10.075 -1.805 1.00 1.52 C ATOM 681 O ARG A 46 74.298 -10.628 -2.447 1.00 1.73 O ATOM 682 CB ARG A 46 73.266 -10.881 0.568 1.00 1.74 C ATOM 683 CG ARG A 46 74.218 -12.050 0.306 1.00 1.93 C ATOM 684 CD ARG A 46 73.701 -13.300 1.019 1.00 2.48 C ATOM 685 NE ARG A 46 74.798 -13.690 1.947 1.00 2.64 N ATOM 686 CZ ARG A 46 74.616 -13.625 3.237 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.821 -14.474 3.827 1.00 3.64 N ATOM 688 NH2 ARG A 46 75.226 -12.707 3.936 1.00 3.41 N ATOM 0 H ARG A 46 71.992 -8.862 0.725 1.00 1.20 H new ATOM 0 HA ARG A 46 74.690 -9.427 -0.230 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.320 -10.581 1.614 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.237 -11.186 0.377 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.296 -12.236 -0.765 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.219 -11.804 0.661 1.00 1.93 H new ATOM 0 HD2 ARG A 46 72.779 -13.093 1.562 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.481 -14.098 0.309 1.00 2.48 H new ATOM 0 HE ARG A 46 75.692 -14.008 1.574 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.342 -15.189 3.280 1.00 3.64 H new ATOM 0 HH12 ARG A 46 73.679 -14.423 4.836 1.00 3.64 H new ATOM 0 HH21 ARG A 46 75.845 -12.041 3.473 1.00 3.41 H new ATOM 0 HH22 ARG A 46 75.084 -12.656 4.945 1.00 3.41 H new ATOM 702 N MET A 47 72.278 -9.778 -2.344 1.00 1.46 N ATOM 703 CA MET A 47 72.020 -10.121 -3.773 1.00 1.73 C ATOM 704 C MET A 47 72.667 -9.079 -4.692 1.00 1.75 C ATOM 705 O MET A 47 72.943 -9.341 -5.846 1.00 2.01 O ATOM 706 CB MET A 47 70.493 -10.112 -3.917 1.00 1.70 C ATOM 707 CG MET A 47 69.988 -8.674 -4.061 1.00 1.96 C ATOM 708 SD MET A 47 69.991 -8.209 -5.811 1.00 1.94 S ATOM 709 CE MET A 47 68.563 -9.201 -6.311 1.00 1.52 C ATOM 0 H MET A 47 71.508 -9.315 -1.861 1.00 1.46 H new ATOM 0 HA MET A 47 72.442 -11.086 -4.052 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.198 -10.698 -4.787 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.035 -10.581 -3.046 1.00 1.70 H new ATOM 0 HG2 MET A 47 68.981 -8.588 -3.652 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.623 -7.995 -3.492 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.783 -9.707 -7.251 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.347 -9.942 -5.541 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.697 -8.552 -6.442 1.00 1.52 H new ATOM 719 N LEU A 48 72.913 -7.902 -4.188 1.00 1.60 N ATOM 720 CA LEU A 48 73.545 -6.846 -5.030 1.00 1.69 C ATOM 721 C LEU A 48 75.070 -6.939 -4.934 1.00 1.68 C ATOM 722 O LEU A 48 75.723 -7.483 -5.801 1.00 1.99 O ATOM 723 CB LEU A 48 73.048 -5.524 -4.443 1.00 1.73 C ATOM 724 CG LEU A 48 71.552 -5.371 -4.721 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.967 -4.302 -3.797 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.346 -4.950 -6.179 1.00 2.15 C ATOM 0 H LEU A 48 72.704 -7.625 -3.229 1.00 1.60 H new ATOM 0 HA LEU A 48 73.287 -6.946 -6.084 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.233 -5.499 -3.369 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.597 -4.690 -4.881 1.00 1.73 H new ATOM 0 HG LEU A 48 71.050 -6.322 -4.540 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.901 -4.193 -3.996 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.114 -4.598 -2.759 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.468 -3.351 -3.977 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.280 -4.840 -6.379 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.848 -3.999 -6.358 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.763 -5.710 -6.840 1.00 2.15 H new ATOM 738 N GLY A 49 75.642 -6.412 -3.887 1.00 1.63 N ATOM 739 CA GLY A 49 77.124 -6.472 -3.737 1.00 1.87 C ATOM 740 C GLY A 49 77.516 -6.013 -2.331 1.00 1.54 C ATOM 741 O GLY A 49 78.395 -5.192 -2.159 1.00 1.53 O ATOM 0 H GLY A 49 75.148 -5.942 -3.128 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.476 -7.489 -3.910 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.601 -5.838 -4.484 1.00 1.87 H new ATOM 745 N GLN A 50 76.871 -6.536 -1.326 1.00 1.37 N ATOM 746 CA GLN A 50 77.209 -6.131 0.068 1.00 1.17 C ATOM 747 C GLN A 50 77.099 -7.334 1.008 1.00 1.24 C ATOM 748 O GLN A 50 76.360 -8.264 0.756 1.00 1.75 O ATOM 749 CB GLN A 50 76.174 -5.066 0.431 1.00 1.29 C ATOM 750 CG GLN A 50 76.413 -3.815 -0.416 1.00 1.28 C ATOM 751 CD GLN A 50 75.852 -2.591 0.310 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.502 -2.030 1.170 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.664 -2.151 -0.001 1.00 1.85 N ATOM 0 H GLN A 50 76.125 -7.226 -1.409 1.00 1.37 H new ATOM 0 HA GLN A 50 78.228 -5.754 0.155 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.168 -5.448 0.259 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.245 -4.820 1.491 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.480 -3.685 -0.599 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.934 -3.925 -1.389 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.119 -2.622 -0.723 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.281 -1.336 0.478 1.00 1.85 H new ATOM 762 N ASN A 51 77.830 -7.323 2.088 1.00 1.18 N ATOM 763 CA ASN A 51 77.767 -8.468 3.041 1.00 1.29 C ATOM 764 C ASN A 51 77.993 -7.979 4.474 1.00 1.07 C ATOM 765 O ASN A 51 78.796 -8.530 5.200 1.00 1.45 O ATOM 766 CB ASN A 51 78.896 -9.405 2.609 1.00 1.96 C ATOM 767 CG ASN A 51 78.923 -10.631 3.523 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.002 -10.856 4.284 1.00 3.07 O ATOM 769 ND2 ASN A 51 79.946 -11.440 3.481 1.00 3.29 N ATOM 0 H ASN A 51 78.468 -6.572 2.352 1.00 1.18 H new ATOM 0 HA ASN A 51 76.797 -8.964 3.026 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.750 -9.714 1.574 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.852 -8.884 2.654 1.00 1.96 H new ATOM 0 HD21 ASN A 51 79.973 -12.260 4.086 1.00 3.29 H new ATOM 0 HD22 ASN A 51 80.719 -11.252 2.843 1.00 3.29 H new ATOM 776 N PRO A 52 77.269 -6.953 4.833 1.00 1.47 N ATOM 777 CA PRO A 52 77.384 -6.376 6.195 1.00 2.11 C ATOM 778 C PRO A 52 76.785 -7.333 7.230 1.00 1.79 C ATOM 779 O PRO A 52 76.578 -8.500 6.963 1.00 2.07 O ATOM 780 CB PRO A 52 76.571 -5.088 6.108 1.00 2.97 C ATOM 781 CG PRO A 52 75.603 -5.320 4.993 1.00 2.97 C ATOM 782 CD PRO A 52 76.284 -6.239 4.012 1.00 2.03 C ATOM 0 HA PRO A 52 78.415 -6.202 6.503 1.00 2.11 H new ATOM 0 HB2 PRO A 52 76.053 -4.884 7.045 1.00 2.97 H new ATOM 0 HB3 PRO A 52 77.211 -4.230 5.904 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.682 -5.767 5.367 1.00 2.97 H new ATOM 0 HG3 PRO A 52 75.330 -4.379 4.516 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.576 -6.926 3.548 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.762 -5.682 3.206 1.00 2.03 H new ATOM 790 N THR A 53 76.508 -6.849 8.408 1.00 1.42 N ATOM 791 CA THR A 53 75.923 -7.734 9.458 1.00 1.16 C ATOM 792 C THR A 53 74.487 -7.309 9.769 1.00 0.98 C ATOM 793 O THR A 53 74.088 -6.201 9.469 1.00 0.92 O ATOM 794 CB THR A 53 76.820 -7.539 10.681 1.00 1.19 C ATOM 795 OG1 THR A 53 77.140 -6.161 10.816 1.00 1.40 O ATOM 796 CG2 THR A 53 78.105 -8.350 10.509 1.00 1.36 C ATOM 0 H THR A 53 76.660 -5.881 8.691 1.00 1.42 H new ATOM 0 HA THR A 53 75.882 -8.777 9.145 1.00 1.16 H new ATOM 0 HB THR A 53 76.297 -7.880 11.574 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.714 -6.034 11.600 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.743 -8.210 11.381 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.857 -9.407 10.406 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.632 -8.012 9.616 1.00 1.36 H new ATOM 804 N PRO A 54 73.758 -8.211 10.368 1.00 0.99 N ATOM 805 CA PRO A 54 72.347 -7.932 10.730 1.00 1.04 C ATOM 806 C PRO A 54 72.285 -6.956 11.909 1.00 0.93 C ATOM 807 O PRO A 54 71.304 -6.267 12.106 1.00 0.94 O ATOM 808 CB PRO A 54 71.803 -9.301 11.127 1.00 1.19 C ATOM 809 CG PRO A 54 73.003 -10.088 11.547 1.00 1.18 C ATOM 810 CD PRO A 54 74.174 -9.561 10.759 1.00 1.10 C ATOM 0 HA PRO A 54 71.778 -7.471 9.923 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.081 -9.218 11.940 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.290 -9.779 10.292 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.179 -9.981 12.617 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.855 -11.150 11.353 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.083 -9.540 11.360 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.382 -10.183 9.888 1.00 1.10 H new ATOM 818 N GLU A 55 73.327 -6.888 12.691 1.00 0.98 N ATOM 819 CA GLU A 55 73.328 -5.954 13.852 1.00 1.08 C ATOM 820 C GLU A 55 73.621 -4.529 13.376 1.00 0.97 C ATOM 821 O GLU A 55 73.303 -3.563 14.041 1.00 1.01 O ATOM 822 CB GLU A 55 74.445 -6.457 14.768 1.00 1.28 C ATOM 823 CG GLU A 55 73.857 -7.404 15.816 1.00 2.15 C ATOM 824 CD GLU A 55 74.925 -8.406 16.257 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.698 -8.829 15.414 1.00 3.14 O ATOM 826 OE2 GLU A 55 74.951 -8.735 17.433 1.00 2.81 O ATOM 0 H GLU A 55 74.178 -7.439 12.576 1.00 0.98 H new ATOM 0 HA GLU A 55 72.367 -5.928 14.365 1.00 1.08 H new ATOM 0 HB2 GLU A 55 75.206 -6.973 14.182 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.936 -5.615 15.257 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.500 -6.836 16.675 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.997 -7.931 15.403 1.00 2.15 H new ATOM 833 N GLU A 56 74.223 -4.391 12.226 1.00 0.92 N ATOM 834 CA GLU A 56 74.531 -3.027 11.705 1.00 0.94 C ATOM 835 C GLU A 56 73.315 -2.460 10.971 1.00 0.84 C ATOM 836 O GLU A 56 73.090 -1.266 10.949 1.00 0.94 O ATOM 837 CB GLU A 56 75.700 -3.225 10.738 1.00 1.06 C ATOM 838 CG GLU A 56 76.623 -2.007 10.796 1.00 1.60 C ATOM 839 CD GLU A 56 76.477 -1.191 9.510 1.00 1.83 C ATOM 840 OE1 GLU A 56 75.433 -1.288 8.886 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.411 -0.483 9.172 1.00 2.50 O ATOM 0 H GLU A 56 74.515 -5.162 11.625 1.00 0.92 H new ATOM 0 HA GLU A 56 74.779 -2.325 12.501 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.254 -4.127 11.000 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.327 -3.364 9.723 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.375 -1.391 11.660 1.00 1.60 H new ATOM 0 HG3 GLU A 56 77.657 -2.327 10.920 1.00 1.60 H new ATOM 848 N LEU A 57 72.524 -3.310 10.372 1.00 0.73 N ATOM 849 CA LEU A 57 71.320 -2.819 9.641 1.00 0.78 C ATOM 850 C LEU A 57 70.397 -2.066 10.602 1.00 0.80 C ATOM 851 O LEU A 57 70.215 -0.870 10.494 1.00 0.89 O ATOM 852 CB LEU A 57 70.634 -4.080 9.115 1.00 0.85 C ATOM 853 CG LEU A 57 70.979 -4.270 7.637 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.273 -5.748 7.367 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.796 -3.821 6.777 1.00 1.10 C ATOM 0 H LEU A 57 72.659 -4.321 10.357 1.00 0.73 H new ATOM 0 HA LEU A 57 71.575 -2.130 8.836 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.956 -4.949 9.689 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.554 -3.998 9.240 1.00 0.85 H new ATOM 0 HG LEU A 57 71.857 -3.674 7.389 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.519 -5.884 6.314 1.00 1.30 H new ATOM 0 HD12 LEU A 57 72.115 -6.070 7.980 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.395 -6.345 7.614 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.040 -3.956 5.723 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.918 -4.418 7.025 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.585 -2.769 6.969 1.00 1.10 H new ATOM 867 N GLN A 58 69.814 -2.757 11.543 1.00 0.81 N ATOM 868 CA GLN A 58 68.905 -2.077 12.510 1.00 0.95 C ATOM 869 C GLN A 58 69.552 -0.785 13.016 1.00 0.99 C ATOM 870 O GLN A 58 68.879 0.153 13.391 1.00 1.13 O ATOM 871 CB GLN A 58 68.728 -3.073 13.657 1.00 1.09 C ATOM 872 CG GLN A 58 67.414 -2.784 14.385 1.00 1.25 C ATOM 873 CD GLN A 58 66.262 -3.474 13.653 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.646 -2.842 12.690 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.917 -4.597 13.960 1.00 1.74 N flip ATOM 0 H GLN A 58 69.927 -3.761 11.684 1.00 0.81 H new ATOM 0 HA GLN A 58 67.951 -1.803 12.060 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.726 -4.092 13.271 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.565 -2.997 14.351 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.470 -3.140 15.414 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.239 -1.709 14.429 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.398 -5.091 14.712 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.146 -5.047 13.466 1.00 1.74 H new ATOM 884 N GLU A 59 70.856 -0.730 13.024 1.00 0.97 N ATOM 885 CA GLU A 59 71.548 0.502 13.501 1.00 1.14 C ATOM 886 C GLU A 59 71.614 1.535 12.373 1.00 1.11 C ATOM 887 O GLU A 59 71.599 2.727 12.608 1.00 1.18 O ATOM 888 CB GLU A 59 72.953 0.038 13.887 1.00 1.23 C ATOM 889 CG GLU A 59 73.791 1.246 14.311 1.00 1.60 C ATOM 890 CD GLU A 59 74.986 0.774 15.141 1.00 2.19 C ATOM 891 OE1 GLU A 59 75.372 -0.373 14.987 1.00 2.75 O ATOM 892 OE2 GLU A 59 75.493 1.567 15.917 1.00 2.77 O ATOM 0 H GLU A 59 71.472 -1.484 12.721 1.00 0.97 H new ATOM 0 HA GLU A 59 71.031 0.974 14.336 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.898 -0.684 14.702 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.425 -0.468 13.044 1.00 1.23 H new ATOM 0 HG2 GLU A 59 74.138 1.788 13.431 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.182 1.938 14.892 1.00 1.60 H new ATOM 899 N MET A 60 71.685 1.086 11.150 1.00 1.11 N ATOM 900 CA MET A 60 71.749 2.041 10.007 1.00 1.18 C ATOM 901 C MET A 60 70.357 2.613 9.723 1.00 1.13 C ATOM 902 O MET A 60 70.200 3.789 9.462 1.00 1.25 O ATOM 903 CB MET A 60 72.242 1.210 8.822 1.00 1.22 C ATOM 904 CG MET A 60 73.682 1.603 8.486 1.00 1.62 C ATOM 905 SD MET A 60 73.731 2.376 6.850 1.00 1.82 S ATOM 906 CE MET A 60 75.519 2.655 6.784 1.00 2.02 C ATOM 0 H MET A 60 71.701 0.099 10.892 1.00 1.11 H new ATOM 0 HA MET A 60 72.406 2.887 10.209 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.190 0.148 9.063 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.598 1.373 7.957 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.067 2.293 9.237 1.00 1.62 H new ATOM 0 HG3 MET A 60 74.324 0.722 8.503 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.839 2.721 5.744 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.761 3.585 7.298 1.00 2.02 H new ATOM 0 HE3 MET A 60 76.035 1.827 7.270 1.00 2.02 H new ATOM 916 N ILE A 61 69.346 1.790 9.775 1.00 1.04 N ATOM 917 CA ILE A 61 67.966 2.286 9.512 1.00 1.11 C ATOM 918 C ILE A 61 67.526 3.229 10.640 1.00 1.23 C ATOM 919 O ILE A 61 67.041 4.317 10.401 1.00 1.40 O ATOM 920 CB ILE A 61 67.099 1.016 9.457 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.877 0.631 7.993 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.738 1.251 10.124 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.149 -0.861 7.812 1.00 1.14 C ATOM 0 H ILE A 61 69.416 0.795 9.988 1.00 1.04 H new ATOM 0 HA ILE A 61 67.886 2.859 8.589 1.00 1.11 H new ATOM 0 HB ILE A 61 67.614 0.218 9.991 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.855 0.864 7.696 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.537 1.213 7.349 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.145 0.338 10.072 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.887 1.527 11.168 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.214 2.055 9.607 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.991 -1.136 6.769 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.179 -1.080 8.093 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.471 -1.434 8.445 1.00 1.14 H new ATOM 935 N ASP A 62 67.690 2.815 11.867 1.00 1.23 N ATOM 936 CA ASP A 62 67.281 3.680 13.010 1.00 1.43 C ATOM 937 C ASP A 62 67.711 5.129 12.769 1.00 1.48 C ATOM 938 O ASP A 62 67.081 6.059 13.231 1.00 1.67 O ATOM 939 CB ASP A 62 68.010 3.100 14.223 1.00 1.51 C ATOM 940 CG ASP A 62 67.003 2.420 15.152 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.816 2.642 14.973 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.434 1.688 16.028 1.00 2.13 O ATOM 0 H ASP A 62 68.090 1.914 12.127 1.00 1.23 H new ATOM 0 HA ASP A 62 66.200 3.693 13.147 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.763 2.382 13.898 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.535 3.892 14.757 1.00 1.51 H new ATOM 947 N GLU A 63 68.782 5.331 12.051 1.00 1.41 N ATOM 948 CA GLU A 63 69.250 6.723 11.787 1.00 1.52 C ATOM 949 C GLU A 63 68.507 7.320 10.587 1.00 1.47 C ATOM 950 O GLU A 63 67.857 8.341 10.694 1.00 1.80 O ATOM 951 CB GLU A 63 70.742 6.587 11.484 1.00 1.55 C ATOM 952 CG GLU A 63 71.554 7.136 12.658 1.00 2.11 C ATOM 953 CD GLU A 63 71.006 6.574 13.972 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.248 5.409 14.244 1.00 2.93 O ATOM 955 OE2 GLU A 63 70.351 7.318 14.683 1.00 2.32 O ATOM 0 H GLU A 63 69.353 4.594 11.636 1.00 1.41 H new ATOM 0 HA GLU A 63 69.064 7.387 12.631 1.00 1.52 H new ATOM 0 HB2 GLU A 63 70.995 5.541 11.311 1.00 1.55 H new ATOM 0 HB3 GLU A 63 70.989 7.130 10.572 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.604 6.865 12.545 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.505 8.225 12.669 1.00 2.11 H new ATOM 962 N VAL A 64 68.600 6.694 9.446 1.00 1.33 N ATOM 963 CA VAL A 64 67.901 7.234 8.245 1.00 1.29 C ATOM 964 C VAL A 64 66.383 7.163 8.439 1.00 1.21 C ATOM 965 O VAL A 64 65.652 8.039 8.020 1.00 1.50 O ATOM 966 CB VAL A 64 68.337 6.330 7.091 1.00 1.40 C ATOM 967 CG1 VAL A 64 69.854 6.139 7.138 1.00 1.69 C ATOM 968 CG2 VAL A 64 67.649 4.970 7.220 1.00 1.31 C ATOM 0 H VAL A 64 69.128 5.835 9.293 1.00 1.33 H new ATOM 0 HA VAL A 64 68.149 8.279 8.059 1.00 1.29 H new ATOM 0 HB VAL A 64 68.057 6.791 6.144 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.165 5.495 6.316 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.346 7.107 7.046 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.134 5.678 8.086 1.00 1.69 H new ATOM 0 HG21 VAL A 64 67.960 4.326 6.398 1.00 1.31 H new ATOM 0 HG22 VAL A 64 67.928 4.509 8.167 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.568 5.105 7.187 1.00 1.31 H new ATOM 978 N ASP A 65 65.902 6.126 9.069 1.00 1.27 N ATOM 979 CA ASP A 65 64.431 6.004 9.286 1.00 1.38 C ATOM 980 C ASP A 65 63.959 7.034 10.316 1.00 2.07 C ATOM 981 O ASP A 65 64.330 6.986 11.472 1.00 2.61 O ATOM 982 CB ASP A 65 64.225 4.584 9.814 1.00 1.38 C ATOM 983 CG ASP A 65 62.735 4.242 9.789 1.00 1.66 C ATOM 984 OD1 ASP A 65 61.991 4.969 9.150 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.361 3.261 10.410 1.00 2.59 O ATOM 0 H ASP A 65 66.462 5.359 9.442 1.00 1.27 H new ATOM 0 HA ASP A 65 63.863 6.186 8.374 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.782 3.873 9.204 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.611 4.503 10.830 1.00 1.38 H new ATOM 990 N GLU A 66 63.142 7.965 9.906 1.00 2.65 N ATOM 991 CA GLU A 66 62.644 8.997 10.860 1.00 3.74 C ATOM 992 C GLU A 66 61.353 8.519 11.530 1.00 4.00 C ATOM 993 O GLU A 66 60.802 9.184 12.383 1.00 4.93 O ATOM 994 CB GLU A 66 62.378 10.235 10.002 1.00 4.58 C ATOM 995 CG GLU A 66 61.138 9.999 9.137 1.00 5.25 C ATOM 996 CD GLU A 66 60.743 11.306 8.444 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.284 12.335 8.811 1.00 6.61 O ATOM 998 OE2 GLU A 66 59.904 11.254 7.559 1.00 6.67 O ATOM 0 H GLU A 66 62.797 8.056 8.950 1.00 2.65 H new ATOM 0 HA GLU A 66 63.358 9.201 11.658 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.230 11.107 10.639 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.241 10.445 9.370 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.341 9.228 8.394 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.315 9.638 9.754 1.00 5.25 H new ATOM 1005 N ASP A 67 60.866 7.369 11.147 1.00 3.32 N ATOM 1006 CA ASP A 67 59.610 6.850 11.762 1.00 3.69 C ATOM 1007 C ASP A 67 59.914 5.644 12.653 1.00 3.25 C ATOM 1008 O ASP A 67 59.185 5.345 13.579 1.00 3.49 O ATOM 1009 CB ASP A 67 58.733 6.436 10.581 1.00 3.68 C ATOM 1010 CG ASP A 67 59.523 5.502 9.660 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.737 4.364 10.046 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.900 5.941 8.587 1.00 2.33 O ATOM 0 H ASP A 67 61.283 6.768 10.436 1.00 3.32 H new ATOM 0 HA ASP A 67 59.122 7.594 12.392 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.834 5.935 10.940 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.408 7.318 10.029 1.00 3.68 H new ATOM 1017 N GLY A 68 60.983 4.947 12.382 1.00 2.98 N ATOM 1018 CA GLY A 68 61.330 3.760 13.215 1.00 3.17 C ATOM 1019 C GLY A 68 60.465 2.569 12.795 1.00 2.42 C ATOM 1020 O GLY A 68 60.080 1.753 13.608 1.00 3.05 O ATOM 0 H GLY A 68 61.631 5.148 11.620 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.386 3.516 13.096 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.171 3.984 14.270 1.00 3.17 H new ATOM 1024 N SER A 69 60.155 2.465 11.531 1.00 1.46 N ATOM 1025 CA SER A 69 59.314 1.326 11.062 1.00 1.52 C ATOM 1026 C SER A 69 60.200 0.203 10.514 1.00 1.64 C ATOM 1027 O SER A 69 59.720 -0.827 10.085 1.00 2.49 O ATOM 1028 CB SER A 69 58.441 1.910 9.951 1.00 2.44 C ATOM 1029 OG SER A 69 59.269 2.342 8.879 1.00 2.71 O ATOM 0 H SER A 69 60.447 3.118 10.804 1.00 1.46 H new ATOM 0 HA SER A 69 58.717 0.895 11.866 1.00 1.52 H new ATOM 0 HB2 SER A 69 57.732 1.161 9.599 1.00 2.44 H new ATOM 0 HB3 SER A 69 57.857 2.747 10.334 1.00 2.44 H new ATOM 0 HG SER A 69 59.600 3.245 9.065 1.00 2.71 H new ATOM 1035 N GLY A 70 61.492 0.393 10.528 1.00 1.28 N ATOM 1036 CA GLY A 70 62.407 -0.664 10.012 1.00 1.43 C ATOM 1037 C GLY A 70 61.992 -1.060 8.594 1.00 1.29 C ATOM 1038 O GLY A 70 62.257 -2.157 8.145 1.00 1.59 O ATOM 0 H GLY A 70 61.953 1.234 10.874 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.435 -0.300 10.012 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.377 -1.535 10.666 1.00 1.43 H new ATOM 1042 N THR A 71 61.346 -0.178 7.881 1.00 0.89 N ATOM 1043 CA THR A 71 60.919 -0.513 6.492 1.00 0.79 C ATOM 1044 C THR A 71 61.598 0.423 5.487 1.00 0.76 C ATOM 1045 O THR A 71 61.641 1.622 5.671 1.00 0.83 O ATOM 1046 CB THR A 71 59.403 -0.304 6.479 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.106 1.024 6.886 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.743 -1.295 7.441 1.00 1.08 C ATOM 0 H THR A 71 61.096 0.758 8.199 1.00 0.89 H new ATOM 0 HA THR A 71 61.192 -1.531 6.213 1.00 0.79 H new ATOM 0 HB THR A 71 59.021 -0.469 5.472 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.236 1.106 7.854 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.663 -1.146 7.432 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.972 -2.314 7.128 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.123 -1.132 8.449 1.00 1.08 H new ATOM 1056 N VAL A 72 62.128 -0.119 4.424 1.00 0.73 N ATOM 1057 CA VAL A 72 62.803 0.741 3.408 1.00 0.77 C ATOM 1058 C VAL A 72 62.103 0.605 2.052 1.00 0.80 C ATOM 1059 O VAL A 72 61.980 -0.476 1.513 1.00 1.00 O ATOM 1060 CB VAL A 72 64.235 0.212 3.330 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.924 0.779 2.088 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.004 0.646 4.580 1.00 1.13 C ATOM 0 H VAL A 72 62.123 -1.117 4.215 1.00 0.73 H new ATOM 0 HA VAL A 72 62.774 1.797 3.675 1.00 0.77 H new ATOM 0 HB VAL A 72 64.217 -0.876 3.269 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.945 0.401 2.034 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.376 0.474 1.197 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.943 1.867 2.147 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.026 0.270 4.527 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.020 1.734 4.638 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.514 0.243 5.467 1.00 1.13 H new ATOM 1072 N ASP A 73 61.637 1.694 1.503 1.00 0.77 N ATOM 1073 CA ASP A 73 60.941 1.627 0.185 1.00 0.83 C ATOM 1074 C ASP A 73 61.870 2.097 -0.939 1.00 0.87 C ATOM 1075 O ASP A 73 63.072 1.927 -0.878 1.00 0.87 O ATOM 1076 CB ASP A 73 59.745 2.569 0.329 1.00 0.85 C ATOM 1077 CG ASP A 73 60.240 3.987 0.623 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.218 4.390 0.016 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.633 4.645 1.452 1.00 2.57 O ATOM 0 H ASP A 73 61.708 2.627 1.909 1.00 0.77 H new ATOM 0 HA ASP A 73 60.636 0.612 -0.071 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.152 2.562 -0.586 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.094 2.226 1.133 1.00 0.85 H new ATOM 1084 N PHE A 74 61.319 2.680 -1.970 1.00 0.94 N ATOM 1085 CA PHE A 74 62.162 3.154 -3.106 1.00 0.98 C ATOM 1086 C PHE A 74 63.215 4.157 -2.622 1.00 0.86 C ATOM 1087 O PHE A 74 64.358 4.115 -3.031 1.00 0.83 O ATOM 1088 CB PHE A 74 61.179 3.835 -4.061 1.00 1.12 C ATOM 1089 CG PHE A 74 61.637 3.637 -5.487 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.981 3.835 -5.824 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.717 3.256 -6.470 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.404 3.652 -7.147 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.139 3.074 -7.792 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.483 3.272 -8.131 1.00 3.18 C ATOM 0 H PHE A 74 60.319 2.849 -2.075 1.00 0.94 H new ATOM 0 HA PHE A 74 62.706 2.337 -3.580 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.180 3.419 -3.928 1.00 1.12 H new ATOM 0 HB3 PHE A 74 61.114 4.899 -3.834 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.691 4.129 -5.065 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.680 3.102 -6.208 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.441 3.804 -7.408 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.428 2.781 -8.550 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.809 3.132 -9.151 1.00 3.18 H new ATOM 1104 N ASP A 75 62.838 5.066 -1.765 1.00 0.83 N ATOM 1105 CA ASP A 75 63.818 6.076 -1.269 1.00 0.76 C ATOM 1106 C ASP A 75 64.698 5.485 -0.163 1.00 0.69 C ATOM 1107 O ASP A 75 65.905 5.418 -0.287 1.00 0.65 O ATOM 1108 CB ASP A 75 62.963 7.218 -0.720 1.00 0.81 C ATOM 1109 CG ASP A 75 62.202 7.886 -1.868 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.719 7.887 -2.973 1.00 1.57 O ATOM 1111 OD2 ASP A 75 61.117 8.385 -1.621 1.00 1.49 O ATOM 0 H ASP A 75 61.895 5.154 -1.387 1.00 0.83 H new ATOM 0 HA ASP A 75 64.494 6.408 -2.057 1.00 0.76 H new ATOM 0 HB2 ASP A 75 62.261 6.837 0.022 1.00 0.81 H new ATOM 0 HB3 ASP A 75 63.595 7.949 -0.215 1.00 0.81 H new ATOM 1116 N GLU A 76 64.105 5.067 0.921 1.00 0.77 N ATOM 1117 CA GLU A 76 64.912 4.493 2.039 1.00 0.78 C ATOM 1118 C GLU A 76 65.926 3.473 1.509 1.00 0.70 C ATOM 1119 O GLU A 76 66.976 3.274 2.086 1.00 0.70 O ATOM 1120 CB GLU A 76 63.895 3.808 2.952 1.00 0.95 C ATOM 1121 CG GLU A 76 62.766 4.784 3.284 1.00 1.51 C ATOM 1122 CD GLU A 76 62.088 4.356 4.588 1.00 1.45 C ATOM 1123 OE1 GLU A 76 62.801 4.070 5.535 1.00 1.72 O ATOM 1124 OE2 GLU A 76 60.870 4.322 4.615 1.00 1.94 O ATOM 0 H GLU A 76 63.098 5.097 1.083 1.00 0.77 H new ATOM 0 HA GLU A 76 65.484 5.260 2.562 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.491 2.922 2.463 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.381 3.473 3.868 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.162 5.795 3.382 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.038 4.804 2.473 1.00 1.51 H new ATOM 1131 N PHE A 77 65.621 2.822 0.420 1.00 0.72 N ATOM 1132 CA PHE A 77 66.575 1.816 -0.132 1.00 0.73 C ATOM 1133 C PHE A 77 67.730 2.517 -0.851 1.00 0.67 C ATOM 1134 O PHE A 77 68.883 2.346 -0.508 1.00 0.69 O ATOM 1135 CB PHE A 77 65.752 0.986 -1.120 1.00 0.84 C ATOM 1136 CG PHE A 77 66.604 -0.134 -1.668 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.520 -0.790 -0.836 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.477 -0.518 -3.009 1.00 1.32 C ATOM 1139 CE1 PHE A 77 68.308 -1.830 -1.345 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.265 -1.559 -3.517 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.180 -2.213 -2.686 1.00 1.46 C ATOM 0 H PHE A 77 64.758 2.941 -0.110 1.00 0.72 H new ATOM 0 HA PHE A 77 67.018 1.198 0.649 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.871 0.578 -0.624 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.395 1.618 -1.934 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.619 -0.494 0.198 1.00 1.83 H new ATOM 0 HD2 PHE A 77 65.772 -0.012 -3.651 1.00 1.32 H new ATOM 0 HE1 PHE A 77 69.014 -2.336 -0.704 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.166 -1.856 -4.550 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.789 -3.014 -3.079 1.00 1.46 H new ATOM 1151 N LEU A 78 67.432 3.305 -1.849 1.00 0.66 N ATOM 1152 CA LEU A 78 68.515 4.012 -2.590 1.00 0.68 C ATOM 1153 C LEU A 78 69.247 4.988 -1.662 1.00 0.62 C ATOM 1154 O LEU A 78 70.459 5.065 -1.660 1.00 0.64 O ATOM 1155 CB LEU A 78 67.802 4.773 -3.708 1.00 0.77 C ATOM 1156 CG LEU A 78 67.072 3.785 -4.620 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.619 4.502 -5.893 1.00 1.55 C ATOM 1158 CD2 LEU A 78 68.019 2.641 -4.992 1.00 1.41 C ATOM 0 H LEU A 78 66.486 3.489 -2.183 1.00 0.66 H new ATOM 0 HA LEU A 78 69.263 3.321 -2.978 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.092 5.483 -3.283 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.524 5.351 -4.285 1.00 0.77 H new ATOM 0 HG LEU A 78 66.202 3.385 -4.099 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.099 3.797 -6.542 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.946 5.318 -5.631 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.489 4.902 -6.414 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.500 1.936 -5.642 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.888 3.043 -5.513 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.344 2.128 -4.087 1.00 1.41 H new ATOM 1170 N VAL A 79 68.520 5.737 -0.880 1.00 0.59 N ATOM 1171 CA VAL A 79 69.173 6.709 0.041 1.00 0.61 C ATOM 1172 C VAL A 79 70.072 5.977 1.042 1.00 0.63 C ATOM 1173 O VAL A 79 71.189 6.378 1.296 1.00 0.68 O ATOM 1174 CB VAL A 79 68.020 7.404 0.763 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.569 8.240 1.922 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.284 8.319 -0.218 1.00 0.70 C ATOM 0 H VAL A 79 67.501 5.718 -0.839 1.00 0.59 H new ATOM 0 HA VAL A 79 69.808 7.417 -0.491 1.00 0.61 H new ATOM 0 HB VAL A 79 67.331 6.654 1.151 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.745 8.735 2.436 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.095 7.591 2.622 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.258 8.990 1.535 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.461 8.816 0.295 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.975 9.068 -0.605 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.891 7.726 -1.044 1.00 0.70 H new ATOM 1186 N MET A 80 69.591 4.907 1.612 1.00 0.65 N ATOM 1187 CA MET A 80 70.420 4.154 2.595 1.00 0.72 C ATOM 1188 C MET A 80 71.530 3.386 1.877 1.00 0.71 C ATOM 1189 O MET A 80 72.689 3.477 2.230 1.00 0.76 O ATOM 1190 CB MET A 80 69.451 3.184 3.274 1.00 0.80 C ATOM 1191 CG MET A 80 70.154 2.494 4.444 1.00 1.12 C ATOM 1192 SD MET A 80 69.099 1.170 5.083 1.00 2.17 S ATOM 1193 CE MET A 80 69.992 -0.213 4.330 1.00 2.77 C ATOM 0 H MET A 80 68.662 4.522 1.440 1.00 0.65 H new ATOM 0 HA MET A 80 70.906 4.815 3.313 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.572 3.721 3.630 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.102 2.441 2.557 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.111 2.086 4.118 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.367 3.217 5.232 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.504 -1.150 4.598 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.990 -0.100 3.246 1.00 2.77 H new ATOM 0 HE3 MET A 80 71.020 -0.223 4.692 1.00 2.77 H new ATOM 1203 N MET A 81 71.191 2.627 0.870 1.00 0.69 N ATOM 1204 CA MET A 81 72.237 1.858 0.140 1.00 0.74 C ATOM 1205 C MET A 81 73.334 2.811 -0.349 1.00 0.75 C ATOM 1206 O MET A 81 74.458 2.412 -0.586 1.00 0.82 O ATOM 1207 CB MET A 81 71.501 1.188 -1.029 1.00 0.73 C ATOM 1208 CG MET A 81 71.466 2.115 -2.248 1.00 0.89 C ATOM 1209 SD MET A 81 72.801 1.667 -3.385 1.00 1.41 S ATOM 1210 CE MET A 81 72.371 -0.081 -3.571 1.00 1.21 C ATOM 0 H MET A 81 70.239 2.507 0.523 1.00 0.69 H new ATOM 0 HA MET A 81 72.731 1.115 0.766 1.00 0.74 H new ATOM 0 HB2 MET A 81 71.998 0.254 -1.290 1.00 0.73 H new ATOM 0 HB3 MET A 81 70.484 0.935 -0.728 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.503 2.035 -2.752 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.575 3.153 -1.933 1.00 0.89 H new ATOM 0 HE1 MET A 81 72.869 -0.487 -4.451 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.692 -0.631 -2.686 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.292 -0.180 -3.687 1.00 1.21 H new ATOM 1220 N VAL A 82 73.018 4.071 -0.492 1.00 0.72 N ATOM 1221 CA VAL A 82 74.044 5.049 -0.954 1.00 0.78 C ATOM 1222 C VAL A 82 75.089 5.258 0.147 1.00 0.81 C ATOM 1223 O VAL A 82 76.277 5.153 -0.084 1.00 0.93 O ATOM 1224 CB VAL A 82 73.269 6.343 -1.220 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.237 7.529 -1.241 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.560 6.246 -2.573 1.00 1.36 C ATOM 0 H VAL A 82 72.095 4.464 -0.309 1.00 0.72 H new ATOM 0 HA VAL A 82 74.577 4.711 -1.843 1.00 0.78 H new ATOM 0 HB VAL A 82 72.532 6.489 -0.430 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.682 8.448 -1.431 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.743 7.603 -0.278 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.976 7.382 -2.029 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.009 7.167 -2.762 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.298 6.097 -3.361 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.867 5.404 -2.561 1.00 1.36 H new ATOM 1236 N ARG A 83 74.652 5.551 1.342 1.00 0.79 N ATOM 1237 CA ARG A 83 75.617 5.764 2.457 1.00 0.85 C ATOM 1238 C ARG A 83 76.250 4.430 2.872 1.00 0.90 C ATOM 1239 O ARG A 83 77.152 4.384 3.685 1.00 1.00 O ATOM 1240 CB ARG A 83 74.782 6.368 3.595 1.00 0.87 C ATOM 1241 CG ARG A 83 74.131 5.254 4.413 1.00 1.07 C ATOM 1242 CD ARG A 83 73.114 5.859 5.384 1.00 0.92 C ATOM 1243 NE ARG A 83 73.922 6.687 6.322 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.065 6.311 7.564 1.00 1.83 C ATOM 1245 NH1 ARG A 83 73.052 5.810 8.215 1.00 2.49 N ATOM 1246 NH2 ARG A 83 75.223 6.439 8.154 1.00 2.14 N ATOM 0 H ARG A 83 73.669 5.652 1.594 1.00 0.79 H new ATOM 0 HA ARG A 83 76.442 6.420 2.178 1.00 0.85 H new ATOM 0 HB2 ARG A 83 75.416 6.979 4.237 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.015 7.025 3.185 1.00 0.87 H new ATOM 0 HG2 ARG A 83 73.638 4.543 3.750 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.892 4.702 4.964 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.377 6.465 4.857 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.565 5.082 5.916 1.00 0.92 H new ATOM 0 HE ARG A 83 74.363 7.546 5.995 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.148 5.712 7.754 1.00 2.49 H new ATOM 0 HH12 ARG A 83 73.164 5.516 9.185 1.00 2.49 H new ATOM 0 HH21 ARG A 83 76.014 6.832 7.644 1.00 2.14 H new ATOM 0 HH22 ARG A 83 75.336 6.146 9.124 1.00 2.14 H new ATOM 1260 N SER A 84 75.784 3.343 2.316 1.00 0.92 N ATOM 1261 CA SER A 84 76.357 2.016 2.677 1.00 1.01 C ATOM 1262 C SER A 84 77.567 1.704 1.792 1.00 1.06 C ATOM 1263 O SER A 84 78.278 0.744 2.012 1.00 1.38 O ATOM 1264 CB SER A 84 75.232 1.014 2.420 1.00 1.04 C ATOM 1265 OG SER A 84 75.601 -0.254 2.949 1.00 1.52 O ATOM 0 H SER A 84 75.032 3.318 1.628 1.00 0.92 H new ATOM 0 HA SER A 84 76.703 1.983 3.710 1.00 1.01 H new ATOM 0 HB2 SER A 84 74.309 1.360 2.885 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.040 0.932 1.350 1.00 1.04 H new ATOM 0 HG SER A 84 75.809 -0.867 2.213 1.00 1.52 H new ATOM 1271 N MET A 85 77.805 2.509 0.792 1.00 0.00 N ATOM 1272 CA MET A 85 78.969 2.257 -0.107 1.00 0.00 C ATOM 1273 C MET A 85 80.246 2.836 0.508 1.00 0.00 C ATOM 1274 O MET A 85 81.146 2.114 0.890 1.00 0.00 O ATOM 1275 CB MET A 85 78.626 2.982 -1.409 1.00 0.00 C ATOM 1276 CG MET A 85 77.263 2.507 -1.915 1.00 0.00 C ATOM 1277 SD MET A 85 77.163 2.757 -3.704 1.00 0.00 S ATOM 1278 CE MET A 85 75.528 3.534 -3.735 1.00 0.00 C ATOM 0 H MET A 85 77.245 3.329 0.558 1.00 0.00 H new ATOM 0 HA MET A 85 79.146 1.193 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 85 78.609 4.059 -1.244 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.392 2.786 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.122 1.453 -1.676 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.466 3.057 -1.415 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.992 3.217 -4.630 1.00 0.00 H new ATOM 0 HE2 MET A 85 74.966 3.235 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.640 4.618 -3.744 1.00 0.00 H new