USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 479 ASN :FLIP amide:sc= -0.0852 F(o=-1.2!,f=0.82) USER MOD Set 1.2: A 480 SER OG : rot 29:sc= 0.908 USER MOD Set 2.1: A 454 THR OG1 : rot 180:sc= 0.947 USER MOD Set 2.2: A 476 THR OG1 : rot -43:sc= 1.1 USER MOD Set 3.1: A 416 THR OG1 : rot 141:sc= 1.62 USER MOD Set 3.2: A 419 TYR OH : rot 180:sc= 0.245 USER MOD Set 4.1: A 407 THR OG1 : rot -78:sc= 1.26 USER MOD Set 4.2: A 445 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 397 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 400 GLN :FLIP amide:sc= -0.252 F(o=-2.3!,f=-0.25) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.106 K(o=0.11,f=-3.2!) USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 1.04 K(o=1,f=-1.4!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 143:sc= 1.25 USER MOD Single : A 423 CYS SG : rot 149:sc= -1.85 USER MOD Single : A 424 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=-0.039) USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 434 GLN : amide:sc= -0.065 K(o=-0.065,f=-3.5!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 441 SER OG : rot 180:sc=-0.000451 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= -0.13 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 70:sc= 0.695 USER MOD Single : A 456 ASN : amide:sc= -0.169 K(o=-0.17,f=-3.8!) USER MOD Single : A 463 LYS NZ :NH3+ 176:sc= 0.891 (180deg=0.826) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 164:sc= -0.054 (180deg=-0.308) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 395 19.754 4.428 8.871 1.00 7.64 N ATOM 2 CA ASN A 395 19.388 5.027 10.173 1.00 7.05 C ATOM 3 C ASN A 395 20.500 5.972 10.637 1.00 6.89 C ATOM 4 O ASN A 395 21.420 6.252 9.864 1.00 7.24 O ATOM 5 CB ASN A 395 19.139 3.918 11.209 1.00 7.73 C ATOM 6 CG ASN A 395 20.411 3.188 11.605 1.00 8.25 C ATOM 7 OD1 ASN A 395 21.114 3.600 12.525 1.00 8.44 O ATOM 8 ND2 ASN A 395 20.706 2.091 10.926 1.00 8.76 N ATOM 0 HA ASN A 395 18.469 5.603 10.064 1.00 7.05 H new ATOM 0 HB2 ASN A 395 18.683 4.353 12.098 1.00 7.73 H new ATOM 0 HB3 ASN A 395 18.425 3.201 10.803 1.00 7.73 H new ATOM 0 HD21 ASN A 395 21.542 1.556 11.160 1.00 8.76 H new ATOM 0 HD22 ASN A 395 20.097 1.781 10.169 1.00 8.76 H new ATOM 17 N ALA A 396 20.386 6.499 11.875 1.00 6.67 N ATOM 18 CA ALA A 396 21.379 7.449 12.448 1.00 6.81 C ATOM 19 C ALA A 396 21.199 8.842 11.849 1.00 6.05 C ATOM 20 O ALA A 396 21.549 9.852 12.458 1.00 6.42 O ATOM 21 CB ALA A 396 22.809 6.954 12.250 1.00 7.55 C ATOM 0 H ALA A 396 19.613 6.284 12.505 1.00 6.67 H new ATOM 0 HA ALA A 396 21.199 7.508 13.521 1.00 6.81 H new ATOM 0 HB1 ALA A 396 23.506 7.673 12.681 1.00 7.55 H new ATOM 0 HB2 ALA A 396 22.932 5.990 12.743 1.00 7.55 H new ATOM 0 HB3 ALA A 396 23.012 6.845 11.185 1.00 7.55 H new ATOM 27 N SER A 397 20.651 8.872 10.650 1.00 5.23 N ATOM 28 CA SER A 397 20.251 10.115 9.997 1.00 4.72 C ATOM 29 C SER A 397 18.799 10.414 10.407 1.00 4.61 C ATOM 30 O SER A 397 18.115 9.512 10.895 1.00 4.53 O ATOM 31 CB SER A 397 20.364 9.946 8.472 1.00 4.27 C ATOM 32 OG SER A 397 19.972 11.126 7.787 1.00 4.45 O ATOM 0 H SER A 397 20.468 8.036 10.095 1.00 5.23 H new ATOM 0 HA SER A 397 20.895 10.942 10.296 1.00 4.72 H new ATOM 0 HB2 SER A 397 21.391 9.695 8.208 1.00 4.27 H new ATOM 0 HB3 SER A 397 19.739 9.113 8.150 1.00 4.27 H new ATOM 0 HG SER A 397 20.057 10.987 6.821 1.00 4.45 H new ATOM 38 N THR A 398 18.302 11.646 10.225 1.00 5.02 N ATOM 39 CA THR A 398 16.908 11.946 10.690 1.00 5.32 C ATOM 40 C THR A 398 15.917 11.695 9.556 1.00 5.50 C ATOM 41 O THR A 398 14.863 12.326 9.470 1.00 6.31 O ATOM 42 CB THR A 398 16.704 13.386 11.251 1.00 6.23 C ATOM 43 OG1 THR A 398 17.622 14.295 10.630 1.00 6.75 O ATOM 44 CG2 THR A 398 16.848 13.443 12.784 1.00 6.37 C ATOM 0 H THR A 398 18.798 12.422 9.787 1.00 5.02 H new ATOM 0 HA THR A 398 16.728 11.271 11.526 1.00 5.32 H new ATOM 0 HB THR A 398 15.683 13.684 11.013 1.00 6.23 H new ATOM 0 HG1 THR A 398 17.483 15.196 10.989 1.00 6.75 H new ATOM 0 HG21 THR A 398 16.697 14.467 13.126 1.00 6.37 H new ATOM 0 HG22 THR A 398 16.103 12.794 13.244 1.00 6.37 H new ATOM 0 HG23 THR A 398 17.846 13.109 13.068 1.00 6.37 H new ATOM 52 N GLY A 399 16.282 10.756 8.690 1.00 4.93 N ATOM 53 CA GLY A 399 15.434 10.339 7.601 1.00 5.31 C ATOM 54 C GLY A 399 16.158 9.290 6.782 1.00 4.62 C ATOM 55 O GLY A 399 17.350 9.068 7.004 1.00 4.48 O ATOM 0 H GLY A 399 17.177 10.268 8.731 1.00 4.93 H new ATOM 0 HA2 GLY A 399 14.498 9.935 7.987 1.00 5.31 H new ATOM 0 HA3 GLY A 399 15.178 11.194 6.975 1.00 5.31 H new ATOM 59 N GLN A 400 15.478 8.621 5.858 1.00 4.32 N ATOM 60 CA GLN A 400 16.162 7.651 5.012 1.00 3.59 C ATOM 61 C GLN A 400 16.984 8.349 3.977 1.00 2.81 C ATOM 62 O GLN A 400 16.481 9.160 3.233 1.00 2.93 O ATOM 63 CB GLN A 400 15.212 6.630 4.355 1.00 3.81 C ATOM 64 CG GLN A 400 14.563 5.670 5.348 1.00 4.51 C ATOM 65 CD GLN A 400 13.456 6.309 6.167 1.00 4.68 C ATOM 66 OE1 GLN A 400 12.748 7.272 5.590 1.00 5.27 O flip ATOM 67 NE2 GLN A 400 13.228 5.937 7.320 1.00 4.54 N flip ATOM 0 H GLN A 400 14.480 8.728 5.678 1.00 4.32 H new ATOM 0 HA GLN A 400 16.816 7.077 5.669 1.00 3.59 H new ATOM 0 HB2 GLN A 400 14.430 7.167 3.818 1.00 3.81 H new ATOM 0 HB3 GLN A 400 15.768 6.053 3.616 1.00 3.81 H new ATOM 0 HG2 GLN A 400 14.157 4.817 4.805 1.00 4.51 H new ATOM 0 HG3 GLN A 400 15.328 5.284 6.022 1.00 4.51 H new ATOM 0 HE21 GLN A 400 13.789 5.194 7.737 1.00 4.54 H new ATOM 0 HE22 GLN A 400 12.478 6.372 7.857 1.00 4.54 H new ATOM 76 N GLU A 401 18.284 8.164 4.045 1.00 2.28 N ATOM 77 CA GLU A 401 19.111 8.412 2.886 1.00 1.62 C ATOM 78 C GLU A 401 19.560 7.146 2.182 1.00 1.37 C ATOM 79 O GLU A 401 20.383 7.183 1.270 1.00 1.38 O ATOM 80 CB GLU A 401 20.268 9.329 3.203 1.00 1.30 C ATOM 81 CG GLU A 401 20.701 9.266 4.648 1.00 1.92 C ATOM 82 CD GLU A 401 21.350 7.949 5.011 1.00 2.22 C ATOM 83 OE1 GLU A 401 20.699 7.135 5.693 1.00 2.91 O ATOM 84 OE2 GLU A 401 22.511 7.720 4.601 1.00 2.28 O ATOM 0 H GLU A 401 18.784 7.848 4.876 1.00 2.28 H new ATOM 0 HA GLU A 401 18.472 8.932 2.172 1.00 1.62 H new ATOM 0 HB2 GLU A 401 21.113 9.069 2.566 1.00 1.30 H new ATOM 0 HB3 GLU A 401 19.988 10.354 2.959 1.00 1.30 H new ATOM 0 HG2 GLU A 401 21.401 10.077 4.848 1.00 1.92 H new ATOM 0 HG3 GLU A 401 19.834 9.427 5.289 1.00 1.92 H new ATOM 91 N ALA A 402 18.994 6.034 2.589 1.00 1.24 N ATOM 92 CA ALA A 402 19.248 4.768 1.945 1.00 1.04 C ATOM 93 C ALA A 402 17.988 4.344 1.247 1.00 0.82 C ATOM 94 O ALA A 402 17.636 3.168 1.127 1.00 0.79 O ATOM 95 CB ALA A 402 19.693 3.752 2.961 1.00 1.18 C ATOM 0 H ALA A 402 18.346 5.982 3.375 1.00 1.24 H new ATOM 0 HA ALA A 402 20.050 4.858 1.212 1.00 1.04 H new ATOM 0 HB1 ALA A 402 19.882 2.800 2.465 1.00 1.18 H new ATOM 0 HB2 ALA A 402 20.607 4.097 3.444 1.00 1.18 H new ATOM 0 HB3 ALA A 402 18.913 3.622 3.711 1.00 1.18 H new ATOM 101 N LEU A 403 17.341 5.366 0.786 1.00 0.75 N ATOM 102 CA LEU A 403 15.993 5.308 0.302 1.00 0.58 C ATOM 103 C LEU A 403 15.866 4.934 -1.166 1.00 0.57 C ATOM 104 O LEU A 403 16.759 5.164 -1.983 1.00 0.90 O ATOM 105 CB LEU A 403 15.304 6.638 0.586 1.00 0.59 C ATOM 106 CG LEU A 403 16.166 7.889 0.475 1.00 0.79 C ATOM 107 CD1 LEU A 403 16.700 8.008 -0.939 1.00 1.70 C ATOM 108 CD2 LEU A 403 15.308 9.088 0.812 1.00 1.52 C ATOM 0 H LEU A 403 17.749 6.299 0.733 1.00 0.75 H new ATOM 0 HA LEU A 403 15.501 4.497 0.839 1.00 0.58 H new ATOM 0 HB2 LEU A 403 14.464 6.741 -0.101 1.00 0.59 H new ATOM 0 HB3 LEU A 403 14.889 6.599 1.593 1.00 0.59 H new ATOM 0 HG LEU A 403 17.010 7.835 1.163 1.00 0.79 H new ATOM 0 HD11 LEU A 403 17.317 8.903 -1.021 1.00 1.70 H new ATOM 0 HD12 LEU A 403 17.301 7.130 -1.176 1.00 1.70 H new ATOM 0 HD13 LEU A 403 15.867 8.077 -1.638 1.00 1.70 H new ATOM 0 HD21 LEU A 403 15.907 9.996 0.739 1.00 1.52 H new ATOM 0 HD22 LEU A 403 14.473 9.146 0.113 1.00 1.52 H new ATOM 0 HD23 LEU A 403 14.925 8.987 1.827 1.00 1.52 H new ATOM 120 N SER A 404 14.759 4.286 -1.449 1.00 0.30 N ATOM 121 CA SER A 404 14.273 4.092 -2.795 1.00 0.27 C ATOM 122 C SER A 404 12.804 4.493 -2.840 1.00 0.28 C ATOM 123 O SER A 404 12.132 4.504 -1.803 1.00 0.43 O ATOM 124 CB SER A 404 14.439 2.628 -3.185 1.00 0.28 C ATOM 125 OG SER A 404 13.951 2.372 -4.492 1.00 1.04 O ATOM 0 H SER A 404 14.160 3.871 -0.735 1.00 0.30 H new ATOM 0 HA SER A 404 14.837 4.704 -3.498 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.493 2.355 -3.131 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.909 1.999 -2.470 1.00 0.28 H new ATOM 0 HG SER A 404 14.076 1.424 -4.708 1.00 1.04 H new ATOM 131 N GLN A 405 12.306 4.838 -4.016 1.00 0.26 N ATOM 132 CA GLN A 405 10.905 5.204 -4.150 1.00 0.26 C ATOM 133 C GLN A 405 10.163 4.163 -4.970 1.00 0.27 C ATOM 134 O GLN A 405 10.566 3.829 -6.086 1.00 0.43 O ATOM 135 CB GLN A 405 10.707 6.581 -4.798 1.00 0.30 C ATOM 136 CG GLN A 405 11.914 7.512 -4.744 1.00 0.33 C ATOM 137 CD GLN A 405 12.934 7.260 -5.847 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.870 6.473 -5.677 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.770 7.928 -6.984 1.00 0.91 N ATOM 0 H GLN A 405 12.843 4.872 -4.882 1.00 0.26 H new ATOM 0 HA GLN A 405 10.503 5.250 -3.138 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.429 6.435 -5.842 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.867 7.075 -4.310 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.569 8.544 -4.810 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.404 7.401 -3.777 1.00 0.33 H new ATOM 0 HE21 GLN A 405 11.985 8.570 -7.089 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.429 7.798 -7.751 1.00 0.91 H new ATOM 148 N THR A 406 9.094 3.641 -4.403 1.00 0.18 N ATOM 149 CA THR A 406 8.234 2.717 -5.102 1.00 0.19 C ATOM 150 C THR A 406 6.893 3.352 -5.362 1.00 0.17 C ATOM 151 O THR A 406 6.039 3.436 -4.482 1.00 0.16 O ATOM 152 CB THR A 406 8.041 1.425 -4.291 1.00 0.21 C ATOM 153 OG1 THR A 406 9.310 0.803 -4.044 1.00 0.27 O ATOM 154 CG2 THR A 406 7.129 0.460 -5.010 1.00 0.29 C ATOM 0 H THR A 406 8.801 3.847 -3.448 1.00 0.18 H new ATOM 0 HA THR A 406 8.708 2.466 -6.051 1.00 0.19 H new ATOM 0 HB THR A 406 7.577 1.690 -3.341 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.177 -0.018 -3.526 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.012 -0.444 -4.412 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.154 0.924 -5.161 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.562 0.202 -5.977 1.00 0.29 H new ATOM 162 N THR A 407 6.737 3.830 -6.564 1.00 0.19 N ATOM 163 CA THR A 407 5.471 4.305 -7.026 1.00 0.19 C ATOM 164 C THR A 407 4.580 3.114 -7.342 1.00 0.19 C ATOM 165 O THR A 407 4.782 2.407 -8.330 1.00 0.26 O ATOM 166 CB THR A 407 5.674 5.185 -8.258 1.00 0.24 C ATOM 167 OG1 THR A 407 6.352 6.392 -7.886 1.00 0.26 O ATOM 168 CG2 THR A 407 4.351 5.512 -8.945 1.00 0.24 C ATOM 0 H THR A 407 7.488 3.900 -7.250 1.00 0.19 H new ATOM 0 HA THR A 407 4.988 4.907 -6.256 1.00 0.19 H new ATOM 0 HB THR A 407 6.284 4.629 -8.971 1.00 0.24 H new ATOM 0 HG1 THR A 407 5.717 7.007 -7.463 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.539 6.139 -9.816 1.00 0.24 H new ATOM 0 HG22 THR A 407 3.867 4.588 -9.261 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.701 6.043 -8.249 1.00 0.24 H new ATOM 176 N ILE A 408 3.608 2.893 -6.484 1.00 0.21 N ATOM 177 CA ILE A 408 2.739 1.731 -6.602 1.00 0.21 C ATOM 178 C ILE A 408 1.319 2.177 -6.819 1.00 0.18 C ATOM 179 O ILE A 408 0.831 3.096 -6.163 1.00 0.16 O ATOM 180 CB ILE A 408 2.847 0.734 -5.394 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.597 -0.146 -5.259 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.090 1.444 -4.072 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.867 -1.491 -4.620 1.00 0.27 C ATOM 0 H ILE A 408 3.395 3.501 -5.693 1.00 0.21 H new ATOM 0 HA ILE A 408 3.081 1.166 -7.469 1.00 0.21 H new ATOM 0 HB ILE A 408 3.708 0.105 -5.618 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.852 0.385 -4.667 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.165 -0.303 -6.248 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.156 0.708 -3.271 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.022 2.006 -4.127 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.266 2.128 -3.869 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.938 -2.057 -4.558 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.588 -2.042 -5.223 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.270 -1.343 -3.618 1.00 0.27 H new ATOM 195 N SER A 409 0.688 1.553 -7.786 1.00 0.18 N ATOM 196 CA SER A 409 -0.655 1.906 -8.164 1.00 0.16 C ATOM 197 C SER A 409 -1.612 0.762 -7.890 1.00 0.13 C ATOM 198 O SER A 409 -1.223 -0.408 -7.861 1.00 0.15 O ATOM 199 CB SER A 409 -0.693 2.281 -9.641 1.00 0.21 C ATOM 200 OG SER A 409 -0.048 1.296 -10.432 1.00 0.71 O ATOM 0 H SER A 409 1.091 0.790 -8.329 1.00 0.18 H new ATOM 0 HA SER A 409 -0.970 2.762 -7.567 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.728 2.393 -9.965 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.207 3.246 -9.788 1.00 0.21 H new ATOM 0 HG SER A 409 -0.087 1.557 -11.376 1.00 0.71 H new ATOM 206 N TRP A 410 -2.852 1.124 -7.672 1.00 0.16 N ATOM 207 CA TRP A 410 -3.919 0.169 -7.478 1.00 0.17 C ATOM 208 C TRP A 410 -5.170 0.695 -8.084 1.00 0.18 C ATOM 209 O TRP A 410 -5.271 1.871 -8.444 1.00 0.19 O ATOM 210 CB TRP A 410 -4.156 -0.131 -5.993 1.00 0.16 C ATOM 211 CG TRP A 410 -4.376 1.095 -5.151 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.576 1.625 -4.760 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.368 1.948 -4.604 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.366 2.749 -4.000 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.020 2.970 -3.892 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.974 1.946 -4.648 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.323 3.978 -3.229 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.283 2.941 -3.995 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.958 3.949 -3.292 1.00 0.14 C ATOM 0 H TRP A 410 -3.153 2.097 -7.623 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.626 -0.762 -7.963 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -5.023 -0.785 -5.898 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.299 -0.679 -5.602 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.545 1.219 -5.012 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.096 3.326 -3.583 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.444 1.174 -5.187 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.842 4.754 -2.685 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.203 2.945 -4.025 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.388 4.717 -2.791 1.00 0.14 H new ATOM 230 N ALA A 411 -6.108 -0.188 -8.210 1.00 0.19 N ATOM 231 CA ALA A 411 -7.345 0.140 -8.785 1.00 0.22 C ATOM 232 C ALA A 411 -8.290 0.661 -7.736 1.00 0.19 C ATOM 233 O ALA A 411 -8.356 0.142 -6.619 1.00 0.19 O ATOM 234 CB ALA A 411 -7.904 -1.060 -9.470 1.00 0.26 C ATOM 0 H ALA A 411 -6.023 -1.159 -7.911 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.207 0.930 -9.523 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.865 -0.808 -9.918 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -7.216 -1.388 -10.249 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -8.040 -1.862 -8.745 1.00 0.26 H new ATOM 240 N PRO A 412 -9.019 1.698 -8.111 1.00 0.20 N ATOM 241 CA PRO A 412 -9.941 2.385 -7.237 1.00 0.19 C ATOM 242 C PRO A 412 -10.884 1.424 -6.552 1.00 0.20 C ATOM 243 O PRO A 412 -11.580 0.646 -7.206 1.00 0.23 O ATOM 244 CB PRO A 412 -10.745 3.290 -8.153 1.00 0.24 C ATOM 245 CG PRO A 412 -10.078 3.276 -9.492 1.00 0.26 C ATOM 246 CD PRO A 412 -8.978 2.257 -9.458 1.00 0.23 C ATOM 0 HA PRO A 412 -9.406 2.920 -6.453 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.774 2.939 -8.233 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.784 4.304 -7.754 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.798 3.032 -10.273 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.676 4.262 -9.726 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -9.133 1.484 -10.211 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -8.011 2.714 -9.666 1.00 0.23 H new ATOM 254 N PHE A 413 -10.903 1.479 -5.245 1.00 0.21 N ATOM 255 CA PHE A 413 -11.722 0.581 -4.473 1.00 0.30 C ATOM 256 C PHE A 413 -13.072 1.219 -4.132 1.00 0.51 C ATOM 257 O PHE A 413 -14.002 0.531 -3.703 1.00 1.35 O ATOM 258 CB PHE A 413 -10.958 0.145 -3.215 1.00 0.30 C ATOM 259 CG PHE A 413 -11.777 -0.633 -2.234 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.212 -0.061 -1.050 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.093 -1.947 -2.499 1.00 0.51 C ATOM 262 CE1 PHE A 413 -12.953 -0.796 -0.144 1.00 0.45 C ATOM 263 CE2 PHE A 413 -12.833 -2.690 -1.600 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.328 -2.037 -0.409 1.00 0.57 C ATOM 0 H PHE A 413 -10.358 2.140 -4.691 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.939 -0.307 -5.067 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.102 -0.459 -3.516 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.564 1.032 -2.718 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -11.970 0.969 -0.833 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -11.759 -2.401 -3.420 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.231 -0.349 0.799 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.037 -3.735 -1.783 1.00 0.61 H new ATOM 0 HZ PHE A 413 -13.998 -2.558 0.259 1.00 0.57 H new ATOM 274 N GLN A 414 -13.154 2.537 -4.330 1.00 0.54 N ATOM 275 CA GLN A 414 -14.431 3.293 -4.211 1.00 0.53 C ATOM 276 C GLN A 414 -14.662 3.807 -2.827 1.00 0.44 C ATOM 277 O GLN A 414 -14.870 3.080 -1.854 1.00 0.48 O ATOM 278 CB GLN A 414 -15.681 2.526 -4.723 1.00 0.71 C ATOM 279 CG GLN A 414 -16.950 3.365 -4.732 1.00 1.28 C ATOM 280 CD GLN A 414 -17.931 2.936 -3.652 1.00 1.51 C ATOM 281 OE1 GLN A 414 -18.002 1.761 -3.292 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.676 3.886 -3.111 1.00 1.89 N ATOM 0 H GLN A 414 -12.352 3.118 -4.576 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.300 4.144 -4.879 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.487 2.165 -5.733 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.840 1.648 -4.096 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.691 4.414 -4.589 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.429 3.285 -5.708 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.589 4.849 -3.436 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.337 3.655 -2.369 1.00 1.89 H new ATOM 291 N ASP A 415 -14.606 5.109 -2.826 1.00 0.39 N ATOM 292 CA ASP A 415 -14.871 5.967 -1.708 1.00 0.34 C ATOM 293 C ASP A 415 -14.158 5.558 -0.437 1.00 0.31 C ATOM 294 O ASP A 415 -14.735 5.605 0.651 1.00 0.35 O ATOM 295 CB ASP A 415 -16.368 6.094 -1.423 1.00 0.40 C ATOM 296 CG ASP A 415 -17.114 6.923 -2.451 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.660 6.335 -3.409 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.149 8.163 -2.325 1.00 0.59 O ATOM 0 H ASP A 415 -14.357 5.634 -3.664 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.473 6.935 -2.012 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.808 5.097 -1.384 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.505 6.542 -0.439 1.00 0.40 H new ATOM 303 N THR A 416 -12.910 5.196 -0.560 1.00 0.27 N ATOM 304 CA THR A 416 -12.113 4.859 0.588 1.00 0.23 C ATOM 305 C THR A 416 -11.814 6.113 1.401 1.00 0.24 C ATOM 306 O THR A 416 -11.634 7.195 0.853 1.00 0.25 O ATOM 307 CB THR A 416 -10.815 4.197 0.133 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.120 3.074 -0.703 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.998 3.745 1.325 1.00 0.22 C ATOM 0 H THR A 416 -12.420 5.127 -1.452 1.00 0.27 H new ATOM 0 HA THR A 416 -12.664 4.161 1.218 1.00 0.23 H new ATOM 0 HB THR A 416 -10.228 4.924 -0.429 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.478 3.033 -1.442 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.077 3.276 0.978 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.755 4.606 1.947 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.573 3.027 1.909 1.00 0.22 H new ATOM 317 N SER A 417 -11.850 5.972 2.715 1.00 0.25 N ATOM 318 CA SER A 417 -11.531 7.066 3.615 1.00 0.28 C ATOM 319 C SER A 417 -10.024 7.298 3.640 1.00 0.27 C ATOM 320 O SER A 417 -9.561 8.437 3.703 1.00 0.33 O ATOM 321 CB SER A 417 -12.051 6.754 5.023 1.00 0.32 C ATOM 322 OG SER A 417 -11.779 7.806 5.933 1.00 1.14 O ATOM 0 H SER A 417 -12.099 5.102 3.185 1.00 0.25 H new ATOM 0 HA SER A 417 -12.016 7.975 3.259 1.00 0.28 H new ATOM 0 HB2 SER A 417 -13.126 6.578 4.982 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.591 5.834 5.384 1.00 0.32 H new ATOM 0 HG SER A 417 -12.127 7.571 6.818 1.00 1.14 H new ATOM 328 N GLU A 418 -9.267 6.211 3.585 1.00 0.23 N ATOM 329 CA GLU A 418 -7.825 6.272 3.603 1.00 0.25 C ATOM 330 C GLU A 418 -7.241 4.998 3.007 1.00 0.19 C ATOM 331 O GLU A 418 -7.777 3.921 3.222 1.00 0.28 O ATOM 332 CB GLU A 418 -7.353 6.371 5.042 1.00 0.36 C ATOM 333 CG GLU A 418 -5.932 6.803 5.181 1.00 0.84 C ATOM 334 CD GLU A 418 -5.608 7.295 6.577 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.519 6.457 7.500 1.00 1.31 O ATOM 336 OE2 GLU A 418 -5.418 8.514 6.760 1.00 1.37 O ATOM 0 H GLU A 418 -9.643 5.264 3.527 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.501 7.137 3.024 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.991 7.075 5.576 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.477 5.401 5.523 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.276 5.969 4.932 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.725 7.596 4.463 1.00 0.84 H new ATOM 343 N TYR A 419 -6.145 5.098 2.291 1.00 0.17 N ATOM 344 CA TYR A 419 -5.438 3.898 1.855 1.00 0.16 C ATOM 345 C TYR A 419 -4.133 3.808 2.609 1.00 0.19 C ATOM 346 O TYR A 419 -3.211 4.590 2.371 1.00 0.29 O ATOM 347 CB TYR A 419 -5.145 3.851 0.345 1.00 0.16 C ATOM 348 CG TYR A 419 -6.385 3.872 -0.565 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.134 2.706 -0.824 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.807 5.047 -1.187 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.238 2.735 -1.661 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.909 5.063 -2.016 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.614 3.913 -2.251 1.00 0.14 C ATOM 354 OH TYR A 419 -9.716 3.949 -3.077 1.00 0.19 O ATOM 0 H TYR A 419 -5.722 5.979 1.998 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.095 3.054 2.066 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.511 4.700 0.088 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.572 2.949 0.130 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.842 1.774 -0.362 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.260 5.962 -1.016 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.800 1.832 -1.848 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.217 5.987 -2.482 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.844 4.861 -3.412 1.00 0.19 H new ATOM 364 N ILE A 420 -4.073 2.890 3.547 1.00 0.18 N ATOM 365 CA ILE A 420 -2.857 2.652 4.276 1.00 0.18 C ATOM 366 C ILE A 420 -2.099 1.519 3.620 1.00 0.17 C ATOM 367 O ILE A 420 -2.619 0.416 3.458 1.00 0.21 O ATOM 368 CB ILE A 420 -3.126 2.331 5.757 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.595 3.591 6.473 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.866 1.785 6.426 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.629 3.345 7.535 1.00 0.32 C ATOM 0 H ILE A 420 -4.856 2.297 3.820 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.259 3.563 4.251 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.903 1.569 5.818 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -2.733 4.080 6.927 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.003 4.283 5.737 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.076 1.564 7.472 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.551 0.873 5.919 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.071 2.528 6.365 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -4.909 4.292 7.996 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.509 2.885 7.086 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.219 2.679 8.294 1.00 0.32 H new ATOM 383 N ILE A 421 -0.887 1.803 3.218 1.00 0.15 N ATOM 384 CA ILE A 421 -0.064 0.806 2.573 1.00 0.18 C ATOM 385 C ILE A 421 0.904 0.249 3.585 1.00 0.19 C ATOM 386 O ILE A 421 1.532 0.993 4.335 1.00 0.30 O ATOM 387 CB ILE A 421 0.710 1.367 1.372 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.265 1.877 0.305 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.612 0.276 0.808 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.343 2.860 -0.657 1.00 0.32 C ATOM 0 H ILE A 421 -0.446 2.716 3.325 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.721 0.025 2.191 1.00 0.18 H new ATOM 0 HB ILE A 421 1.326 2.208 1.691 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.651 1.026 -0.256 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.116 2.346 0.799 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.165 0.667 -0.046 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.313 -0.050 1.576 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.004 -0.570 0.489 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.409 3.174 -1.381 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.704 3.730 -0.109 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.176 2.390 -1.180 1.00 0.32 H new ATOM 402 N SER A 422 1.030 -1.050 3.588 1.00 0.14 N ATOM 403 CA SER A 422 1.783 -1.734 4.606 1.00 0.14 C ATOM 404 C SER A 422 2.908 -2.547 3.993 1.00 0.16 C ATOM 405 O SER A 422 2.718 -3.690 3.575 1.00 0.36 O ATOM 406 CB SER A 422 0.867 -2.639 5.419 1.00 0.18 C ATOM 407 OG SER A 422 -0.122 -1.894 6.114 1.00 0.88 O ATOM 0 H SER A 422 0.615 -1.664 2.887 1.00 0.14 H new ATOM 0 HA SER A 422 2.221 -0.985 5.266 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.384 -3.357 4.757 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.460 -3.212 6.132 1.00 0.18 H new ATOM 0 HG SER A 422 -0.965 -2.393 6.118 1.00 0.88 H new ATOM 413 N CYS A 423 4.074 -1.941 3.935 1.00 0.14 N ATOM 414 CA CYS A 423 5.263 -2.600 3.431 1.00 0.12 C ATOM 415 C CYS A 423 5.878 -3.493 4.504 1.00 0.12 C ATOM 416 O CYS A 423 6.577 -3.010 5.392 1.00 0.13 O ATOM 417 CB CYS A 423 6.272 -1.557 2.972 1.00 0.14 C ATOM 418 SG CYS A 423 5.675 -0.477 1.654 1.00 0.95 S ATOM 0 H CYS A 423 4.226 -0.978 4.235 1.00 0.14 H new ATOM 0 HA CYS A 423 4.985 -3.227 2.584 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.558 -0.944 3.827 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.173 -2.066 2.629 1.00 0.14 H new ATOM 0 HG CYS A 423 6.229 0.694 1.768 1.00 0.95 H new ATOM 424 N HIS A 424 5.605 -4.793 4.426 1.00 0.13 N ATOM 425 CA HIS A 424 6.141 -5.750 5.396 1.00 0.15 C ATOM 426 C HIS A 424 7.483 -6.296 4.928 1.00 0.15 C ATOM 427 O HIS A 424 7.552 -7.081 3.986 1.00 0.16 O ATOM 428 CB HIS A 424 5.173 -6.909 5.625 1.00 0.18 C ATOM 429 CG HIS A 424 3.961 -6.562 6.436 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.835 -6.858 7.776 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.806 -5.950 6.083 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.658 -6.444 8.207 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.016 -5.888 7.200 1.00 0.25 N ATOM 0 H HIS A 424 5.017 -5.209 3.704 1.00 0.13 H new ATOM 0 HA HIS A 424 6.277 -5.217 6.337 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.849 -7.290 4.657 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.707 -7.718 6.123 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.554 -5.579 5.101 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.284 -6.544 9.215 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.083 -5.478 7.245 1.00 0.25 H new ATOM 442 N PRO A 425 8.553 -5.877 5.590 1.00 0.17 N ATOM 443 CA PRO A 425 9.920 -6.265 5.246 1.00 0.17 C ATOM 444 C PRO A 425 10.182 -7.743 5.409 1.00 0.18 C ATOM 445 O PRO A 425 9.853 -8.366 6.420 1.00 0.24 O ATOM 446 CB PRO A 425 10.806 -5.472 6.207 1.00 0.21 C ATOM 447 CG PRO A 425 9.908 -4.517 6.916 1.00 0.32 C ATOM 448 CD PRO A 425 8.499 -4.988 6.744 1.00 0.22 C ATOM 0 HA PRO A 425 10.117 -6.054 4.195 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.303 -6.136 6.914 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.588 -4.940 5.665 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.166 -4.466 7.974 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.025 -3.512 6.511 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.143 -5.511 7.632 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.819 -4.154 6.572 1.00 0.22 H new ATOM 456 N VAL A 426 10.780 -8.272 4.377 1.00 0.15 N ATOM 457 CA VAL A 426 11.211 -9.646 4.321 1.00 0.19 C ATOM 458 C VAL A 426 12.734 -9.683 4.459 1.00 0.20 C ATOM 459 O VAL A 426 13.428 -8.844 3.886 1.00 0.20 O ATOM 460 CB VAL A 426 10.831 -10.262 2.969 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.065 -11.764 2.932 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.408 -9.925 2.575 1.00 0.21 C ATOM 0 H VAL A 426 10.988 -7.747 3.528 1.00 0.15 H new ATOM 0 HA VAL A 426 10.733 -10.208 5.123 1.00 0.19 H new ATOM 0 HB VAL A 426 11.496 -9.813 2.231 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.781 -12.153 1.954 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.119 -11.973 3.113 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.463 -12.245 3.703 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.180 -10.381 1.612 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.721 -10.308 3.330 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.298 -8.843 2.500 1.00 0.21 H new ATOM 472 N GLY A 427 13.246 -10.627 5.226 1.00 0.26 N ATOM 473 CA GLY A 427 14.692 -10.747 5.392 1.00 0.29 C ATOM 474 C GLY A 427 15.188 -10.015 6.623 1.00 0.32 C ATOM 475 O GLY A 427 16.057 -10.504 7.344 1.00 0.38 O ATOM 0 H GLY A 427 12.696 -11.316 5.740 1.00 0.26 H new ATOM 0 HA2 GLY A 427 14.962 -11.801 5.464 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.192 -10.350 4.509 1.00 0.29 H new ATOM 479 N THR A 428 14.638 -8.840 6.856 1.00 0.31 N ATOM 480 CA THR A 428 14.959 -8.058 8.030 1.00 0.37 C ATOM 481 C THR A 428 13.911 -8.235 9.104 1.00 0.41 C ATOM 482 O THR A 428 12.887 -8.886 8.892 1.00 0.41 O ATOM 483 CB THR A 428 15.020 -6.564 7.707 1.00 0.37 C ATOM 484 OG1 THR A 428 13.968 -6.217 6.795 1.00 0.30 O ATOM 485 CG2 THR A 428 16.367 -6.167 7.124 1.00 0.42 C ATOM 0 H THR A 428 13.957 -8.402 6.236 1.00 0.31 H new ATOM 0 HA THR A 428 15.930 -8.412 8.376 1.00 0.37 H new ATOM 0 HB THR A 428 14.890 -6.017 8.641 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.012 -5.259 6.594 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.369 -5.099 6.908 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.155 -6.394 7.842 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.543 -6.723 6.203 1.00 0.42 H new ATOM 493 N ASP A 429 14.176 -7.652 10.260 1.00 0.48 N ATOM 494 CA ASP A 429 13.177 -7.568 11.300 1.00 0.54 C ATOM 495 C ASP A 429 12.626 -6.157 11.385 1.00 0.49 C ATOM 496 O ASP A 429 12.273 -5.669 12.460 1.00 0.59 O ATOM 497 CB ASP A 429 13.750 -7.971 12.648 1.00 0.69 C ATOM 498 CG ASP A 429 12.669 -8.252 13.677 1.00 1.09 C ATOM 499 OD1 ASP A 429 11.640 -8.862 13.320 1.00 1.06 O ATOM 500 OD2 ASP A 429 12.847 -7.878 14.855 1.00 1.78 O ATOM 0 H ASP A 429 15.074 -7.232 10.498 1.00 0.48 H new ATOM 0 HA ASP A 429 12.373 -8.259 11.046 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.370 -8.859 12.525 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.400 -7.177 13.015 1.00 0.69 H new ATOM 505 N GLU A 430 12.576 -5.483 10.251 1.00 0.40 N ATOM 506 CA GLU A 430 12.023 -4.150 10.210 1.00 0.38 C ATOM 507 C GLU A 430 10.528 -4.209 10.334 1.00 0.31 C ATOM 508 O GLU A 430 9.894 -5.208 9.982 1.00 0.33 O ATOM 509 CB GLU A 430 12.406 -3.422 8.919 1.00 0.38 C ATOM 510 CG GLU A 430 13.891 -3.150 8.750 1.00 0.48 C ATOM 511 CD GLU A 430 14.179 -2.322 7.520 1.00 1.58 C ATOM 512 OE1 GLU A 430 13.947 -2.826 6.400 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.647 -1.178 7.664 1.00 1.64 O ATOM 0 H GLU A 430 12.910 -5.837 9.354 1.00 0.40 H new ATOM 0 HA GLU A 430 12.438 -3.592 11.049 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.062 -4.013 8.071 1.00 0.38 H new ATOM 0 HB3 GLU A 430 11.872 -2.472 8.883 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.267 -2.632 9.632 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.428 -4.096 8.684 1.00 0.48 H new ATOM 520 N GLU A 431 9.975 -3.147 10.866 1.00 0.29 N ATOM 521 CA GLU A 431 8.569 -3.047 11.022 1.00 0.26 C ATOM 522 C GLU A 431 7.962 -2.631 9.693 1.00 0.24 C ATOM 523 O GLU A 431 8.629 -2.027 8.851 1.00 0.26 O ATOM 524 CB GLU A 431 8.229 -2.040 12.120 1.00 0.29 C ATOM 525 CG GLU A 431 8.147 -0.622 11.608 1.00 0.63 C ATOM 526 CD GLU A 431 7.683 0.358 12.659 1.00 0.87 C ATOM 527 OE1 GLU A 431 8.526 1.119 13.180 1.00 1.11 O ATOM 528 OE2 GLU A 431 6.477 0.366 12.981 1.00 1.05 O ATOM 0 H GLU A 431 10.497 -2.336 11.198 1.00 0.29 H new ATOM 0 HA GLU A 431 8.156 -4.011 11.320 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.277 -2.313 12.575 1.00 0.29 H new ATOM 0 HB3 GLU A 431 8.984 -2.095 12.904 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.127 -0.317 11.241 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.464 -0.587 10.759 1.00 0.63 H new ATOM 535 N PRO A 432 6.701 -2.982 9.488 1.00 0.23 N ATOM 536 CA PRO A 432 5.988 -2.647 8.272 1.00 0.21 C ATOM 537 C PRO A 432 5.868 -1.148 8.109 1.00 0.20 C ATOM 538 O PRO A 432 5.242 -0.472 8.927 1.00 0.24 O ATOM 539 CB PRO A 432 4.600 -3.277 8.440 1.00 0.24 C ATOM 540 CG PRO A 432 4.520 -3.762 9.856 1.00 0.23 C ATOM 541 CD PRO A 432 5.902 -3.723 10.448 1.00 0.24 C ATOM 0 HA PRO A 432 6.506 -3.014 7.386 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.816 -2.548 8.235 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.461 -4.101 7.740 1.00 0.24 H new ATOM 0 HG2 PRO A 432 3.842 -3.135 10.434 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.122 -4.776 9.888 1.00 0.23 H new ATOM 0 HD2 PRO A 432 5.901 -3.233 11.422 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.296 -4.728 10.597 1.00 0.24 H new ATOM 549 N LEU A 433 6.473 -0.639 7.054 1.00 0.20 N ATOM 550 CA LEU A 433 6.367 0.758 6.732 1.00 0.20 C ATOM 551 C LEU A 433 4.977 1.048 6.247 1.00 0.20 C ATOM 552 O LEU A 433 4.543 0.538 5.211 1.00 0.30 O ATOM 553 CB LEU A 433 7.365 1.153 5.661 1.00 0.22 C ATOM 554 CG LEU A 433 8.759 1.516 6.162 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.531 0.276 6.561 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.519 2.314 5.114 1.00 0.73 C ATOM 0 H LEU A 433 7.045 -1.181 6.406 1.00 0.20 H new ATOM 0 HA LEU A 433 6.584 1.336 7.630 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.456 0.330 4.953 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.963 2.004 5.111 1.00 0.22 H new ATOM 0 HG LEU A 433 8.647 2.141 7.048 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.522 0.562 6.915 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.998 -0.244 7.357 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.630 -0.384 5.699 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.510 2.562 5.493 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.616 1.721 4.205 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.976 3.232 4.891 1.00 0.73 H new ATOM 568 N GLN A 434 4.283 1.844 7.005 1.00 0.17 N ATOM 569 CA GLN A 434 2.920 2.160 6.689 1.00 0.17 C ATOM 570 C GLN A 434 2.798 3.555 6.138 1.00 0.20 C ATOM 571 O GLN A 434 3.198 4.540 6.758 1.00 0.27 O ATOM 572 CB GLN A 434 2.013 1.947 7.892 1.00 0.18 C ATOM 573 CG GLN A 434 1.471 0.533 7.950 1.00 0.21 C ATOM 574 CD GLN A 434 0.612 0.258 9.169 1.00 0.38 C ATOM 575 OE1 GLN A 434 -0.600 0.473 9.149 1.00 1.26 O ATOM 576 NE2 GLN A 434 1.221 -0.229 10.232 1.00 0.74 N ATOM 0 H GLN A 434 4.640 2.289 7.851 1.00 0.17 H new ATOM 0 HA GLN A 434 2.590 1.474 5.909 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.567 2.161 8.806 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.183 2.652 7.850 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.883 0.342 7.052 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.306 -0.167 7.940 1.00 0.21 H new ATOM 0 HE21 GLN A 434 2.227 -0.394 10.212 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.686 -0.440 11.074 1.00 0.74 H new ATOM 585 N PHE A 435 2.263 3.605 4.946 1.00 0.20 N ATOM 586 CA PHE A 435 2.087 4.851 4.219 1.00 0.23 C ATOM 587 C PHE A 435 0.612 5.181 4.082 1.00 0.21 C ATOM 588 O PHE A 435 -0.188 4.338 3.692 1.00 0.24 O ATOM 589 CB PHE A 435 2.739 4.783 2.832 1.00 0.25 C ATOM 590 CG PHE A 435 4.244 4.757 2.859 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.923 3.552 2.923 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.976 5.935 2.830 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.305 3.519 2.958 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.359 5.909 2.864 1.00 0.46 C ATOM 595 CZ PHE A 435 7.025 4.718 2.887 1.00 0.47 C ATOM 0 H PHE A 435 1.933 2.782 4.443 1.00 0.20 H new ATOM 0 HA PHE A 435 2.578 5.640 4.789 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.380 3.891 2.317 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.412 5.642 2.246 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.367 2.627 2.946 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.461 6.883 2.780 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.825 2.576 3.039 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.914 6.835 2.872 1.00 0.46 H new ATOM 0 HZ PHE A 435 8.104 4.700 2.851 1.00 0.47 H new ATOM 605 N ARG A 436 0.262 6.406 4.416 1.00 0.22 N ATOM 606 CA ARG A 436 -1.122 6.851 4.367 1.00 0.21 C ATOM 607 C ARG A 436 -1.335 7.855 3.244 1.00 0.19 C ATOM 608 O ARG A 436 -0.650 8.877 3.174 1.00 0.27 O ATOM 609 CB ARG A 436 -1.522 7.472 5.701 1.00 0.27 C ATOM 610 CG ARG A 436 -2.159 6.478 6.644 1.00 0.72 C ATOM 611 CD ARG A 436 -2.246 7.009 8.059 1.00 0.74 C ATOM 612 NE ARG A 436 -3.183 6.244 8.876 1.00 1.52 N ATOM 613 CZ ARG A 436 -2.849 5.586 9.987 1.00 2.15 C ATOM 614 NH1 ARG A 436 -1.579 5.516 10.375 1.00 2.32 N ATOM 615 NH2 ARG A 436 -3.787 4.978 10.701 1.00 3.14 N ATOM 0 H ARG A 436 0.921 7.119 4.727 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.749 5.981 4.172 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.640 7.901 6.175 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.218 8.292 5.521 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.159 6.231 6.288 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.582 5.553 6.639 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -1.258 6.980 8.518 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.556 8.054 8.035 1.00 0.74 H new ATOM 0 HE ARG A 436 -4.158 6.210 8.577 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -0.851 5.968 9.822 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -1.333 5.011 11.226 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -4.761 5.014 10.400 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -3.534 4.474 11.551 1.00 3.14 H new ATOM 629 N VAL A 437 -2.274 7.553 2.362 1.00 0.17 N ATOM 630 CA VAL A 437 -2.639 8.450 1.284 1.00 0.16 C ATOM 631 C VAL A 437 -4.141 8.661 1.262 1.00 0.16 C ATOM 632 O VAL A 437 -4.912 7.841 1.774 1.00 0.17 O ATOM 633 CB VAL A 437 -2.169 7.942 -0.100 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.656 7.805 -0.135 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.840 6.628 -0.470 1.00 0.14 C ATOM 0 H VAL A 437 -2.802 6.680 2.375 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.131 9.395 1.477 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.466 8.682 -0.843 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.346 7.447 -1.117 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.198 8.775 0.058 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.337 7.095 0.628 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.486 6.301 -1.448 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.595 5.872 0.276 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.920 6.768 -0.503 1.00 0.14 H new ATOM 645 N PRO A 438 -4.543 9.790 0.687 1.00 0.17 N ATOM 646 CA PRO A 438 -5.944 10.210 0.578 1.00 0.18 C ATOM 647 C PRO A 438 -6.836 9.096 0.017 1.00 0.16 C ATOM 648 O PRO A 438 -6.424 8.340 -0.863 1.00 0.14 O ATOM 649 CB PRO A 438 -5.850 11.400 -0.403 1.00 0.19 C ATOM 650 CG PRO A 438 -4.494 11.955 -0.138 1.00 0.21 C ATOM 651 CD PRO A 438 -3.624 10.772 0.099 1.00 0.19 C ATOM 0 HA PRO A 438 -6.394 10.462 1.538 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.957 11.077 -1.439 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.630 12.138 -0.217 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.137 12.542 -0.984 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.502 12.617 0.728 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.182 10.405 -0.828 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.801 11.007 0.774 1.00 0.19 H new ATOM 659 N GLY A 439 -8.062 9.017 0.525 1.00 0.19 N ATOM 660 CA GLY A 439 -8.942 7.905 0.227 1.00 0.20 C ATOM 661 C GLY A 439 -9.417 7.842 -1.212 1.00 0.18 C ATOM 662 O GLY A 439 -10.076 6.879 -1.602 1.00 0.20 O ATOM 0 H GLY A 439 -8.465 9.717 1.148 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.425 6.976 0.466 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.812 7.963 0.881 1.00 0.20 H new ATOM 666 N THR A 440 -9.128 8.856 -1.999 1.00 0.16 N ATOM 667 CA THR A 440 -9.523 8.836 -3.393 1.00 0.18 C ATOM 668 C THR A 440 -8.336 8.482 -4.310 1.00 0.16 C ATOM 669 O THR A 440 -8.528 8.048 -5.448 1.00 0.19 O ATOM 670 CB THR A 440 -10.092 10.200 -3.800 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.257 11.245 -3.283 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.511 10.372 -3.280 1.00 0.29 C ATOM 0 H THR A 440 -8.628 9.695 -1.704 1.00 0.16 H new ATOM 0 HA THR A 440 -10.288 8.068 -3.509 1.00 0.18 H new ATOM 0 HB THR A 440 -10.115 10.254 -4.888 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.622 12.116 -3.546 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.893 11.347 -3.581 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.147 9.589 -3.693 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.511 10.303 -2.192 1.00 0.29 H new ATOM 680 N SER A 441 -7.112 8.669 -3.802 1.00 0.13 N ATOM 681 CA SER A 441 -5.889 8.341 -4.534 1.00 0.12 C ATOM 682 C SER A 441 -5.813 6.855 -4.878 1.00 0.11 C ATOM 683 O SER A 441 -6.264 6.009 -4.114 1.00 0.12 O ATOM 684 CB SER A 441 -4.681 8.726 -3.684 1.00 0.13 C ATOM 685 OG SER A 441 -4.654 10.124 -3.434 1.00 0.16 O ATOM 0 H SER A 441 -6.945 9.052 -2.872 1.00 0.13 H new ATOM 0 HA SER A 441 -5.895 8.900 -5.470 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.711 8.185 -2.738 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.765 8.427 -4.193 1.00 0.13 H new ATOM 0 HG SER A 441 -3.871 10.343 -2.886 1.00 0.16 H new ATOM 691 N THR A 442 -5.239 6.538 -6.025 1.00 0.10 N ATOM 692 CA THR A 442 -5.111 5.153 -6.440 1.00 0.12 C ATOM 693 C THR A 442 -3.658 4.798 -6.756 1.00 0.13 C ATOM 694 O THR A 442 -3.375 3.740 -7.311 1.00 0.16 O ATOM 695 CB THR A 442 -6.018 4.848 -7.648 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.759 5.782 -8.705 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.488 4.922 -7.245 1.00 0.17 C ATOM 0 H THR A 442 -4.856 7.217 -6.683 1.00 0.10 H new ATOM 0 HA THR A 442 -5.435 4.532 -5.605 1.00 0.12 H new ATOM 0 HB THR A 442 -5.800 3.839 -7.998 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.338 5.580 -9.469 1.00 0.14 H new ATOM 0 HG21 THR A 442 -8.114 4.704 -8.110 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.687 4.193 -6.460 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.714 5.923 -6.876 1.00 0.17 H new ATOM 705 N SER A 443 -2.741 5.680 -6.380 1.00 0.12 N ATOM 706 CA SER A 443 -1.316 5.462 -6.605 1.00 0.15 C ATOM 707 C SER A 443 -0.512 6.287 -5.608 1.00 0.15 C ATOM 708 O SER A 443 -0.925 7.385 -5.228 1.00 0.19 O ATOM 709 CB SER A 443 -0.904 5.849 -8.030 1.00 0.17 C ATOM 710 OG SER A 443 -1.751 5.263 -9.005 1.00 1.08 O ATOM 0 H SER A 443 -2.960 6.560 -5.914 1.00 0.12 H new ATOM 0 HA SER A 443 -1.113 4.400 -6.469 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.929 6.934 -8.133 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.125 5.536 -8.208 1.00 0.17 H new ATOM 0 HG SER A 443 -1.457 5.535 -9.900 1.00 1.08 H new ATOM 716 N ALA A 444 0.618 5.758 -5.177 1.00 0.14 N ATOM 717 CA ALA A 444 1.482 6.465 -4.244 1.00 0.15 C ATOM 718 C ALA A 444 2.922 6.131 -4.461 1.00 0.16 C ATOM 719 O ALA A 444 3.308 4.971 -4.615 1.00 0.15 O ATOM 720 CB ALA A 444 1.095 6.167 -2.808 1.00 0.16 C ATOM 0 H ALA A 444 0.961 4.839 -5.458 1.00 0.14 H new ATOM 0 HA ALA A 444 1.347 7.530 -4.432 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.757 6.709 -2.133 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.066 6.481 -2.636 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.184 5.097 -2.622 1.00 0.16 H new ATOM 726 N THR A 445 3.701 7.177 -4.507 1.00 0.24 N ATOM 727 CA THR A 445 5.122 7.066 -4.515 1.00 0.25 C ATOM 728 C THR A 445 5.635 6.858 -3.115 1.00 0.26 C ATOM 729 O THR A 445 5.573 7.745 -2.261 1.00 0.33 O ATOM 730 CB THR A 445 5.735 8.316 -5.121 1.00 0.31 C ATOM 731 OG1 THR A 445 5.344 8.422 -6.497 1.00 0.34 O ATOM 732 CG2 THR A 445 7.257 8.293 -5.001 1.00 0.34 C ATOM 0 H THR A 445 3.357 8.137 -4.540 1.00 0.24 H new ATOM 0 HA THR A 445 5.407 6.205 -5.120 1.00 0.25 H new ATOM 0 HB THR A 445 5.371 9.185 -4.573 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.739 9.229 -6.888 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.671 9.200 -5.443 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.538 8.241 -3.949 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.650 7.422 -5.525 1.00 0.34 H new ATOM 740 N LEU A 446 6.118 5.667 -2.893 1.00 0.22 N ATOM 741 CA LEU A 446 6.584 5.273 -1.585 1.00 0.25 C ATOM 742 C LEU A 446 8.062 5.560 -1.420 1.00 0.24 C ATOM 743 O LEU A 446 8.916 4.766 -1.814 1.00 0.23 O ATOM 744 CB LEU A 446 6.258 3.785 -1.326 1.00 0.25 C ATOM 745 CG LEU A 446 4.910 3.509 -0.615 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.788 4.322 -1.241 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.573 2.023 -0.679 1.00 0.59 C ATOM 0 H LEU A 446 6.201 4.943 -3.607 1.00 0.22 H new ATOM 0 HA LEU A 446 6.059 5.867 -0.837 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.259 3.260 -2.281 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.060 3.355 -0.725 1.00 0.25 H new ATOM 0 HG LEU A 446 5.011 3.808 0.428 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.852 4.110 -0.723 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.017 5.384 -1.156 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.689 4.056 -2.293 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.623 1.843 -0.175 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.496 1.712 -1.721 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.359 1.450 -0.187 1.00 0.59 H new ATOM 759 N THR A 447 8.344 6.717 -0.843 1.00 0.30 N ATOM 760 CA THR A 447 9.708 7.141 -0.597 1.00 0.30 C ATOM 761 C THR A 447 10.187 6.673 0.771 1.00 0.29 C ATOM 762 O THR A 447 9.529 6.900 1.788 1.00 0.36 O ATOM 763 CB THR A 447 9.836 8.667 -0.626 1.00 0.39 C ATOM 764 OG1 THR A 447 8.567 9.266 -0.914 1.00 0.86 O ATOM 765 CG2 THR A 447 10.865 9.125 -1.631 1.00 0.60 C ATOM 0 H THR A 447 7.636 7.384 -0.534 1.00 0.30 H new ATOM 0 HA THR A 447 10.314 6.699 -1.388 1.00 0.30 H new ATOM 0 HB THR A 447 10.171 8.987 0.361 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.661 10.241 -0.928 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.925 10.213 -1.620 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.837 8.705 -1.373 1.00 0.60 H new ATOM 0 HG23 THR A 447 10.577 8.787 -2.627 1.00 0.60 H new ATOM 773 N GLY A 448 11.319 6.011 0.775 1.00 0.30 N ATOM 774 CA GLY A 448 11.996 5.692 2.018 1.00 0.38 C ATOM 775 C GLY A 448 12.366 4.229 2.148 1.00 0.30 C ATOM 776 O GLY A 448 13.210 3.878 2.970 1.00 0.38 O ATOM 0 H GLY A 448 11.794 5.681 -0.065 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.901 6.295 2.095 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.355 5.972 2.854 1.00 0.38 H new ATOM 780 N LEU A 449 11.727 3.377 1.354 1.00 0.28 N ATOM 781 CA LEU A 449 12.020 1.950 1.345 1.00 0.25 C ATOM 782 C LEU A 449 13.513 1.664 1.230 1.00 0.25 C ATOM 783 O LEU A 449 14.199 2.198 0.356 1.00 0.34 O ATOM 784 CB LEU A 449 11.259 1.276 0.213 1.00 0.24 C ATOM 785 CG LEU A 449 9.740 1.239 0.387 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.071 0.744 -0.880 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.366 0.344 1.554 1.00 0.23 C ATOM 0 H LEU A 449 10.994 3.655 0.701 1.00 0.28 H new ATOM 0 HA LEU A 449 11.693 1.540 2.301 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.490 1.793 -0.718 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.623 0.254 0.109 1.00 0.24 H new ATOM 0 HG LEU A 449 9.393 2.252 0.592 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.991 0.724 -0.737 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.316 1.412 -1.706 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.425 -0.261 -1.109 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.282 0.327 1.667 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.728 -0.667 1.367 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.820 0.729 2.467 1.00 0.23 H new ATOM 799 N THR A 450 13.998 0.818 2.132 1.00 0.22 N ATOM 800 CA THR A 450 15.406 0.466 2.190 1.00 0.23 C ATOM 801 C THR A 450 15.777 -0.476 1.076 1.00 0.22 C ATOM 802 O THR A 450 15.396 -1.646 1.038 1.00 0.38 O ATOM 803 CB THR A 450 15.769 -0.144 3.555 1.00 0.27 C ATOM 804 OG1 THR A 450 15.461 0.790 4.599 1.00 0.32 O ATOM 805 CG2 THR A 450 17.239 -0.525 3.636 1.00 0.34 C ATOM 0 H THR A 450 13.425 0.360 2.841 1.00 0.22 H new ATOM 0 HA THR A 450 15.979 1.384 2.064 1.00 0.23 H new ATOM 0 HB THR A 450 15.180 -1.053 3.676 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.692 0.398 5.467 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.451 -0.951 4.616 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.468 -1.259 2.864 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.854 0.363 3.486 1.00 0.34 H new ATOM 813 N ARG A 451 16.498 0.096 0.152 1.00 0.29 N ATOM 814 CA ARG A 451 17.038 -0.615 -0.975 1.00 0.26 C ATOM 815 C ARG A 451 17.927 -1.759 -0.543 1.00 0.26 C ATOM 816 O ARG A 451 18.807 -1.621 0.308 1.00 0.30 O ATOM 817 CB ARG A 451 17.754 0.357 -1.886 1.00 0.31 C ATOM 818 CG ARG A 451 18.897 1.065 -1.212 1.00 0.32 C ATOM 819 CD ARG A 451 19.273 2.336 -1.949 1.00 0.43 C ATOM 820 NE ARG A 451 19.554 2.090 -3.362 1.00 1.32 N ATOM 821 CZ ARG A 451 19.003 2.772 -4.369 1.00 1.75 C ATOM 822 NH1 ARG A 451 18.161 3.775 -4.130 1.00 1.39 N ATOM 823 NH2 ARG A 451 19.300 2.448 -5.619 1.00 2.70 N ATOM 0 H ARG A 451 16.732 1.089 0.161 1.00 0.29 H new ATOM 0 HA ARG A 451 16.219 -1.069 -1.533 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.130 -0.180 -2.757 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.041 1.096 -2.251 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.623 1.306 -0.185 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.760 0.401 -1.164 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.462 3.059 -1.862 1.00 0.43 H new ATOM 0 HD3 ARG A 451 20.149 2.782 -1.478 1.00 0.43 H new ATOM 0 HE ARG A 451 20.215 1.348 -3.594 1.00 1.32 H new ATOM 0 HH11 ARG A 451 17.931 4.030 -3.170 1.00 1.39 H new ATOM 0 HH12 ARG A 451 17.746 4.289 -4.907 1.00 1.39 H new ATOM 0 HH21 ARG A 451 19.946 1.682 -5.807 1.00 2.70 H new ATOM 0 HH22 ARG A 451 18.882 2.965 -6.393 1.00 2.70 H new ATOM 837 N GLY A 452 17.638 -2.898 -1.131 1.00 0.28 N ATOM 838 CA GLY A 452 18.307 -4.117 -0.796 1.00 0.34 C ATOM 839 C GLY A 452 17.428 -5.020 0.036 1.00 0.32 C ATOM 840 O GLY A 452 17.658 -6.228 0.126 1.00 0.41 O ATOM 0 H GLY A 452 16.928 -2.996 -1.857 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.601 -4.635 -1.709 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.222 -3.892 -0.248 1.00 0.34 H new ATOM 844 N ALA A 453 16.407 -4.429 0.632 1.00 0.32 N ATOM 845 CA ALA A 453 15.461 -5.165 1.445 1.00 0.31 C ATOM 846 C ALA A 453 14.179 -5.388 0.693 1.00 0.27 C ATOM 847 O ALA A 453 13.735 -4.566 -0.112 1.00 0.35 O ATOM 848 CB ALA A 453 15.202 -4.435 2.756 1.00 0.32 C ATOM 0 H ALA A 453 16.213 -3.430 0.565 1.00 0.32 H new ATOM 0 HA ALA A 453 15.890 -6.139 1.678 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.489 -5.003 3.354 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.137 -4.333 3.307 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.794 -3.446 2.547 1.00 0.32 H new ATOM 854 N THR A 454 13.632 -6.542 0.941 1.00 0.23 N ATOM 855 CA THR A 454 12.399 -6.963 0.353 1.00 0.21 C ATOM 856 C THR A 454 11.227 -6.522 1.218 1.00 0.17 C ATOM 857 O THR A 454 11.296 -6.592 2.442 1.00 0.19 O ATOM 858 CB THR A 454 12.424 -8.483 0.242 1.00 0.22 C ATOM 859 OG1 THR A 454 13.431 -8.897 -0.677 1.00 0.29 O ATOM 860 CG2 THR A 454 11.082 -9.039 -0.211 1.00 0.24 C ATOM 0 H THR A 454 14.042 -7.230 1.572 1.00 0.23 H new ATOM 0 HA THR A 454 12.281 -6.514 -0.633 1.00 0.21 H new ATOM 0 HB THR A 454 12.643 -8.873 1.236 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.437 -9.875 -0.737 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.142 -10.125 -0.278 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.312 -8.761 0.508 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.830 -8.629 -1.189 1.00 0.24 H new ATOM 868 N TYR A 455 10.172 -6.047 0.590 1.00 0.16 N ATOM 869 CA TYR A 455 8.979 -5.652 1.312 1.00 0.16 C ATOM 870 C TYR A 455 7.745 -6.243 0.651 1.00 0.13 C ATOM 871 O TYR A 455 7.547 -6.100 -0.555 1.00 0.15 O ATOM 872 CB TYR A 455 8.857 -4.122 1.373 1.00 0.23 C ATOM 873 CG TYR A 455 9.961 -3.432 2.152 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.785 -3.070 3.482 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.176 -3.131 1.551 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.788 -2.428 4.186 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.183 -2.494 2.249 1.00 0.30 C ATOM 878 CZ TYR A 455 11.984 -2.145 3.566 1.00 0.26 C ATOM 879 OH TYR A 455 12.983 -1.502 4.264 1.00 0.29 O ATOM 0 H TYR A 455 10.115 -5.925 -0.421 1.00 0.16 H new ATOM 0 HA TYR A 455 9.057 -6.033 2.330 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.848 -3.730 0.356 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.898 -3.865 1.822 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.850 -3.293 3.974 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.337 -3.400 0.518 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.633 -2.150 5.218 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.122 -2.271 1.764 1.00 0.30 H new ATOM 0 HH TYR A 455 13.353 -2.109 4.939 1.00 0.29 H new ATOM 889 N ASN A 456 6.940 -6.938 1.436 1.00 0.12 N ATOM 890 CA ASN A 456 5.643 -7.393 0.976 1.00 0.12 C ATOM 891 C ASN A 456 4.671 -6.251 1.133 1.00 0.13 C ATOM 892 O ASN A 456 4.234 -5.923 2.239 1.00 0.15 O ATOM 893 CB ASN A 456 5.160 -8.618 1.762 1.00 0.14 C ATOM 894 CG ASN A 456 3.976 -9.308 1.082 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.777 -9.156 -0.122 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.200 -10.111 1.817 1.00 0.20 N ATOM 0 H ASN A 456 7.164 -7.199 2.396 1.00 0.12 H new ATOM 0 HA ASN A 456 5.715 -7.698 -0.068 1.00 0.12 H new ATOM 0 HB2 ASN A 456 5.981 -9.327 1.867 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.872 -8.312 2.768 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.426 -10.611 1.380 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.382 -10.223 2.814 1.00 0.20 H new ATOM 903 N ILE A 457 4.374 -5.632 0.018 1.00 0.13 N ATOM 904 CA ILE A 457 3.608 -4.416 -0.002 1.00 0.14 C ATOM 905 C ILE A 457 2.125 -4.728 -0.107 1.00 0.14 C ATOM 906 O ILE A 457 1.639 -5.211 -1.131 1.00 0.18 O ATOM 907 CB ILE A 457 4.060 -3.519 -1.168 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.523 -3.097 -0.969 1.00 0.19 C ATOM 909 CG2 ILE A 457 3.153 -2.295 -1.292 1.00 0.18 C ATOM 910 CD1 ILE A 457 6.006 -2.056 -1.961 1.00 0.22 C ATOM 0 H ILE A 457 4.659 -5.961 -0.904 1.00 0.13 H new ATOM 0 HA ILE A 457 3.780 -3.878 0.931 1.00 0.14 H new ATOM 0 HB ILE A 457 3.984 -4.086 -2.096 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.643 -2.705 0.041 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.158 -3.979 -1.046 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.490 -1.675 -2.122 1.00 0.18 H new ATOM 0 HG22 ILE A 457 2.128 -2.619 -1.474 1.00 0.18 H new ATOM 0 HG23 ILE A 457 3.193 -1.718 -0.368 1.00 0.18 H new ATOM 0 HD11 ILE A 457 7.048 -1.812 -1.754 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.921 -2.451 -2.973 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.397 -1.156 -1.870 1.00 0.22 H new ATOM 922 N ILE A 458 1.422 -4.463 0.974 1.00 0.16 N ATOM 923 CA ILE A 458 0.002 -4.730 1.056 1.00 0.18 C ATOM 924 C ILE A 458 -0.744 -3.425 1.256 1.00 0.20 C ATOM 925 O ILE A 458 -0.431 -2.665 2.161 1.00 0.29 O ATOM 926 CB ILE A 458 -0.316 -5.694 2.210 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.311 -7.060 1.945 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.816 -5.839 2.392 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.092 -8.041 3.064 1.00 0.27 C ATOM 0 H ILE A 458 1.819 -4.056 1.821 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.316 -5.201 0.126 1.00 0.18 H new ATOM 0 HB ILE A 458 0.106 -5.280 3.126 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.104 -7.470 1.025 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.382 -6.936 1.784 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -2.018 -6.526 3.214 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.251 -4.865 2.617 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.258 -6.230 1.475 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.563 -8.991 2.812 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.532 -7.650 3.982 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.977 -8.193 3.210 1.00 0.27 H new ATOM 941 N VAL A 459 -1.711 -3.155 0.406 1.00 0.17 N ATOM 942 CA VAL A 459 -2.462 -1.918 0.496 1.00 0.18 C ATOM 943 C VAL A 459 -3.808 -2.186 1.138 1.00 0.18 C ATOM 944 O VAL A 459 -4.563 -3.031 0.664 1.00 0.23 O ATOM 945 CB VAL A 459 -2.670 -1.278 -0.892 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.299 0.101 -0.769 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.360 -1.214 -1.667 1.00 0.20 C ATOM 0 H VAL A 459 -1.996 -3.773 -0.354 1.00 0.17 H new ATOM 0 HA VAL A 459 -1.889 -1.220 1.106 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.359 -1.911 -1.451 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.434 0.529 -1.762 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.267 0.017 -0.275 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.647 0.747 -0.181 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.536 -0.759 -2.642 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.638 -0.616 -1.112 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.968 -2.222 -1.803 1.00 0.20 H new ATOM 957 N GLU A 460 -4.102 -1.477 2.212 1.00 0.18 N ATOM 958 CA GLU A 460 -5.331 -1.693 2.957 1.00 0.22 C ATOM 959 C GLU A 460 -6.206 -0.446 2.917 1.00 0.21 C ATOM 960 O GLU A 460 -5.776 0.648 3.279 1.00 0.30 O ATOM 961 CB GLU A 460 -5.026 -2.071 4.405 1.00 0.30 C ATOM 962 CG GLU A 460 -4.237 -3.364 4.564 1.00 0.36 C ATOM 963 CD GLU A 460 -3.700 -3.557 5.969 1.00 0.60 C ATOM 964 OE1 GLU A 460 -2.556 -3.133 6.235 1.00 0.79 O ATOM 965 OE2 GLU A 460 -4.421 -4.121 6.822 1.00 0.82 O ATOM 0 H GLU A 460 -3.504 -0.743 2.590 1.00 0.18 H new ATOM 0 HA GLU A 460 -5.870 -2.516 2.489 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.467 -1.259 4.870 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -5.966 -2.164 4.949 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -4.876 -4.208 4.305 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.406 -3.366 3.859 1.00 0.36 H new ATOM 972 N ALA A 461 -7.433 -0.627 2.468 1.00 0.16 N ATOM 973 CA ALA A 461 -8.382 0.461 2.352 1.00 0.15 C ATOM 974 C ALA A 461 -9.141 0.673 3.648 1.00 0.14 C ATOM 975 O ALA A 461 -9.848 -0.217 4.116 1.00 0.17 O ATOM 976 CB ALA A 461 -9.350 0.190 1.211 1.00 0.16 C ATOM 0 H ALA A 461 -7.799 -1.532 2.174 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.825 1.374 2.139 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.059 1.014 1.132 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.795 0.098 0.277 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -9.890 -0.737 1.405 1.00 0.16 H new ATOM 982 N LEU A 462 -8.980 1.856 4.213 1.00 0.16 N ATOM 983 CA LEU A 462 -9.703 2.252 5.402 1.00 0.20 C ATOM 984 C LEU A 462 -11.074 2.746 4.968 1.00 0.22 C ATOM 985 O LEU A 462 -11.219 3.858 4.459 1.00 0.24 O ATOM 986 CB LEU A 462 -8.927 3.341 6.148 1.00 0.25 C ATOM 987 CG LEU A 462 -9.173 3.422 7.660 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.439 4.588 8.275 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.647 3.500 8.002 1.00 0.78 C ATOM 0 H LEU A 462 -8.342 2.568 3.858 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.819 1.411 6.086 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.862 3.180 5.981 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.177 4.306 5.706 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.782 2.497 8.083 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.635 4.617 9.347 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.368 4.475 8.104 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.783 5.516 7.819 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.767 3.556 9.084 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -11.081 4.388 7.543 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.155 2.612 7.626 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.068 1.902 5.142 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.397 2.165 4.651 1.00 0.30 C ATOM 1003 C LYS A 463 -14.390 1.701 5.700 1.00 0.40 C ATOM 1004 O LYS A 463 -14.299 0.563 6.163 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.604 1.409 3.337 1.00 0.31 C ATOM 1006 CG LYS A 463 -14.978 1.588 2.704 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.087 2.873 1.898 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.492 3.065 1.351 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.501 3.202 2.437 1.00 1.62 N ATOM 0 H LYS A 463 -11.973 1.012 5.630 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.540 3.229 4.463 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.846 1.735 2.624 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.438 0.347 3.516 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.189 0.738 2.056 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.737 1.588 3.486 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.820 3.723 2.526 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.374 2.849 1.074 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.517 3.953 0.720 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.754 2.217 0.718 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.434 3.399 2.021 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.545 2.318 2.984 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.230 3.985 3.066 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.345 2.557 6.050 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.215 2.291 7.226 1.00 0.61 C ATOM 1025 C ASP A 464 -15.444 1.723 8.429 1.00 0.51 C ATOM 1026 O ASP A 464 -15.597 0.553 8.786 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.314 1.316 6.882 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.229 1.811 5.776 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -17.843 1.726 4.588 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.342 2.283 6.082 1.00 1.15 O ATOM 0 H ASP A 464 -15.546 3.428 5.558 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.630 3.261 7.500 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -16.868 0.368 6.579 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.908 1.118 7.774 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.662 2.578 9.059 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.836 2.258 10.227 1.00 0.49 C ATOM 1037 C GLN A 465 -12.798 1.133 10.032 1.00 0.44 C ATOM 1038 O GLN A 465 -11.843 1.054 10.807 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.729 1.938 11.428 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.695 3.059 11.767 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.483 2.791 13.032 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.054 3.141 14.129 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.643 2.174 12.888 1.00 1.39 N ATOM 0 H GLN A 465 -14.575 3.552 8.768 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.244 3.157 10.400 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.294 1.029 11.221 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.102 1.732 12.295 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.139 3.990 11.881 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.387 3.200 10.936 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -17.963 1.900 11.959 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.218 1.972 13.706 1.00 1.39 H new ATOM 1052 N GLN A 466 -12.950 0.274 9.033 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.093 -0.905 8.925 1.00 0.36 C ATOM 1054 C GLN A 466 -11.288 -0.921 7.645 1.00 0.28 C ATOM 1055 O GLN A 466 -11.533 -0.152 6.722 1.00 0.29 O ATOM 1056 CB GLN A 466 -12.930 -2.179 9.031 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.526 -2.372 10.399 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.338 -3.646 10.522 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -13.816 -4.700 10.889 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.619 -3.563 10.207 1.00 2.13 N ATOM 0 H GLN A 466 -13.647 0.366 8.294 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.385 -0.861 9.752 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.731 -2.145 8.292 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.307 -3.039 8.786 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -12.725 -2.386 11.138 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.162 -1.519 10.635 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -16.014 -2.671 9.907 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -16.213 -4.390 10.264 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.324 -1.816 7.614 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.374 -1.889 6.522 1.00 0.30 C ATOM 1071 C ARG A 467 -9.528 -3.186 5.739 1.00 0.33 C ATOM 1072 O ARG A 467 -9.766 -4.249 6.309 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.962 -1.761 7.081 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.746 -0.462 7.834 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.544 -0.539 8.756 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.687 -1.598 9.751 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.671 -2.131 10.424 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.428 -1.746 10.176 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.900 -3.061 11.341 1.00 2.58 N ATOM 0 H ARG A 467 -10.176 -2.513 8.344 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.568 -1.070 5.830 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.762 -2.600 7.747 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.245 -1.826 6.263 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.607 0.352 7.122 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.637 -0.227 8.417 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -5.645 -0.715 8.166 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.412 0.418 9.261 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.625 -1.951 9.942 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.246 -1.037 9.466 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.653 -2.158 10.695 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.855 -3.367 11.530 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -5.122 -3.470 11.858 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.407 -3.076 4.426 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.523 -4.219 3.522 1.00 0.32 C ATOM 1095 C HIS A 468 -8.312 -4.212 2.586 1.00 0.24 C ATOM 1096 O HIS A 468 -7.953 -3.144 2.107 1.00 0.27 O ATOM 1097 CB HIS A 468 -10.812 -4.105 2.684 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.084 -4.139 3.474 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.893 -5.249 3.551 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.709 -3.172 4.189 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.959 -4.965 4.276 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.873 -3.711 4.675 1.00 1.25 N ATOM 0 H HIS A 468 -9.225 -2.192 3.952 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.560 -5.143 4.099 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -10.778 -3.174 2.117 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -10.830 -4.919 1.959 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.356 -2.164 4.347 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -14.766 -5.645 4.504 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.559 -3.222 5.250 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.678 -5.352 2.284 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.506 -5.258 1.395 1.00 0.40 C ATOM 1113 C LYS A 469 -6.986 -5.166 -0.039 1.00 0.29 C ATOM 1114 O LYS A 469 -7.884 -5.891 -0.465 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.446 -6.359 1.513 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.875 -7.641 0.898 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.664 -8.453 0.477 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.872 -8.993 1.660 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.699 -9.844 2.556 1.00 0.84 N ATOM 0 H LYS A 469 -7.928 -6.285 2.611 1.00 0.27 H new ATOM 0 HA LYS A 469 -5.983 -4.361 1.726 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.525 -6.023 1.036 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.217 -6.525 2.566 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.474 -8.211 1.608 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.508 -7.444 0.033 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -4.990 -9.286 -0.146 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.012 -7.832 -0.137 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -3.025 -9.573 1.292 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.463 -8.159 2.231 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.078 -10.399 3.178 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.318 -9.240 3.134 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.281 -10.488 1.983 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.402 -4.242 -0.759 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.783 -3.966 -2.126 1.00 0.18 C ATOM 1135 C VAL A 470 -5.798 -4.616 -3.071 1.00 0.18 C ATOM 1136 O VAL A 470 -6.114 -4.925 -4.220 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.797 -2.453 -2.372 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.377 -2.115 -3.739 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.560 -1.759 -1.260 1.00 0.59 C ATOM 0 H VAL A 470 -5.643 -3.655 -0.413 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.780 -4.369 -2.302 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.769 -2.092 -2.367 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.372 -1.034 -3.879 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.774 -2.585 -4.516 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.401 -2.484 -3.801 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.567 -0.684 -1.440 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.585 -2.130 -1.236 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.077 -1.964 -0.304 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.603 -4.841 -2.560 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.518 -5.352 -3.363 1.00 0.19 C ATOM 1151 C ARG A 471 -2.395 -5.834 -2.465 1.00 0.18 C ATOM 1152 O ARG A 471 -2.220 -5.333 -1.352 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.011 -4.266 -4.312 1.00 0.28 C ATOM 1154 CG ARG A 471 -2.155 -4.817 -5.447 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.464 -4.151 -6.776 1.00 0.52 C ATOM 1156 NE ARG A 471 -1.602 -4.636 -7.851 1.00 1.18 N ATOM 1157 CZ ARG A 471 -1.796 -4.358 -9.139 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -2.813 -3.592 -9.512 1.00 1.39 N ATOM 1159 NH2 ARG A 471 -0.972 -4.848 -10.054 1.00 2.13 N ATOM 0 H ARG A 471 -4.362 -4.675 -1.583 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.878 -6.192 -3.957 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.863 -3.733 -4.733 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.429 -3.539 -3.745 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -1.101 -4.674 -5.207 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -2.319 -5.891 -5.534 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -3.506 -4.334 -7.038 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.345 -3.072 -6.676 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.805 -5.222 -7.601 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -3.450 -3.213 -8.811 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -2.958 -3.382 -10.500 1.00 1.39 H new ATOM 0 HH21 ARG A 471 -0.189 -5.438 -9.772 1.00 2.13 H new ATOM 0 HH22 ARG A 471 -1.121 -4.635 -11.040 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.655 -6.811 -2.952 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.521 -7.361 -2.228 1.00 0.18 C ATOM 1175 C GLU A 472 0.552 -7.806 -3.210 1.00 0.18 C ATOM 1176 O GLU A 472 0.246 -8.462 -4.212 1.00 0.21 O ATOM 1177 CB GLU A 472 -0.953 -8.542 -1.354 1.00 0.21 C ATOM 1178 CG GLU A 472 0.175 -9.524 -1.072 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.176 -10.545 -0.015 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.540 -10.602 1.010 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.176 -11.269 -0.183 1.00 0.65 O ATOM 0 H GLU A 472 -1.821 -7.247 -3.859 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.117 -6.584 -1.579 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.341 -8.163 -0.408 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.771 -9.069 -1.845 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.437 -10.041 -1.995 1.00 0.21 H new ATOM 0 HG3 GLU A 472 1.059 -8.971 -0.755 1.00 0.21 H new ATOM 1188 N GLU A 473 1.799 -7.451 -2.939 1.00 0.16 N ATOM 1189 CA GLU A 473 2.895 -7.854 -3.804 1.00 0.17 C ATOM 1190 C GLU A 473 4.223 -7.769 -3.100 1.00 0.20 C ATOM 1191 O GLU A 473 4.486 -6.842 -2.340 1.00 0.26 O ATOM 1192 CB GLU A 473 2.911 -7.009 -5.089 1.00 0.23 C ATOM 1193 CG GLU A 473 4.056 -7.334 -6.040 1.00 0.27 C ATOM 1194 CD GLU A 473 3.991 -8.747 -6.578 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.440 -9.675 -5.876 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.492 -8.941 -7.707 1.00 1.25 O ATOM 0 H GLU A 473 2.075 -6.889 -2.134 1.00 0.16 H new ATOM 0 HA GLU A 473 2.732 -8.898 -4.073 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.967 -7.151 -5.615 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.969 -5.955 -4.816 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.040 -6.632 -6.874 1.00 0.27 H new ATOM 0 HG3 GLU A 473 5.004 -7.191 -5.522 1.00 0.27 H new ATOM 1203 N VAL A 474 5.060 -8.751 -3.374 1.00 0.24 N ATOM 1204 CA VAL A 474 6.349 -8.816 -2.752 1.00 0.28 C ATOM 1205 C VAL A 474 7.389 -8.186 -3.663 1.00 0.21 C ATOM 1206 O VAL A 474 7.544 -8.589 -4.817 1.00 0.28 O ATOM 1207 CB VAL A 474 6.783 -10.256 -2.434 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.911 -10.266 -1.414 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.607 -11.093 -1.961 1.00 1.22 C ATOM 0 H VAL A 474 4.861 -9.511 -4.025 1.00 0.24 H new ATOM 0 HA VAL A 474 6.273 -8.273 -1.810 1.00 0.28 H new ATOM 0 HB VAL A 474 7.157 -10.706 -3.354 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.202 -11.295 -1.204 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.767 -9.721 -1.812 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.574 -9.789 -0.494 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.945 -12.106 -1.744 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.185 -10.650 -1.059 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.846 -11.124 -2.740 1.00 1.22 H new ATOM 1219 N VAL A 475 8.085 -7.198 -3.149 1.00 0.19 N ATOM 1220 CA VAL A 475 9.073 -6.478 -3.936 1.00 0.19 C ATOM 1221 C VAL A 475 10.360 -6.272 -3.192 1.00 0.19 C ATOM 1222 O VAL A 475 10.400 -5.727 -2.091 1.00 0.26 O ATOM 1223 CB VAL A 475 8.569 -5.097 -4.398 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.567 -5.016 -5.908 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.184 -4.795 -3.846 1.00 0.32 C ATOM 0 H VAL A 475 7.989 -6.870 -2.188 1.00 0.19 H new ATOM 0 HA VAL A 475 9.249 -7.112 -4.805 1.00 0.19 H new ATOM 0 HB VAL A 475 9.252 -4.344 -4.005 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.209 -4.035 -6.219 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.580 -5.168 -6.282 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.911 -5.787 -6.313 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.860 -3.813 -4.192 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.481 -5.552 -4.193 1.00 0.32 H new ATOM 0 HG23 VAL A 475 7.217 -4.803 -2.757 1.00 0.32 H new ATOM 1235 N THR A 476 11.404 -6.739 -3.819 1.00 0.24 N ATOM 1236 CA THR A 476 12.743 -6.379 -3.463 1.00 0.24 C ATOM 1237 C THR A 476 13.033 -4.984 -3.977 1.00 0.26 C ATOM 1238 O THR A 476 12.906 -4.699 -5.170 1.00 0.33 O ATOM 1239 CB THR A 476 13.709 -7.377 -4.082 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.601 -8.638 -3.409 1.00 0.32 O ATOM 1241 CG2 THR A 476 15.151 -6.873 -4.033 1.00 0.38 C ATOM 0 H THR A 476 11.345 -7.389 -4.602 1.00 0.24 H new ATOM 0 HA THR A 476 12.861 -6.393 -2.380 1.00 0.24 H new ATOM 0 HB THR A 476 13.440 -7.500 -5.131 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.556 -8.490 -2.441 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.811 -7.614 -4.485 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.228 -5.935 -4.583 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.444 -6.710 -2.996 1.00 0.38 H new ATOM 1249 N VAL A 477 13.400 -4.123 -3.069 1.00 0.25 N ATOM 1250 CA VAL A 477 13.610 -2.734 -3.378 1.00 0.29 C ATOM 1251 C VAL A 477 15.022 -2.496 -3.892 1.00 0.33 C ATOM 1252 O VAL A 477 15.996 -2.856 -3.238 1.00 0.37 O ATOM 1253 CB VAL A 477 13.336 -1.907 -2.121 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.699 -0.449 -2.322 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.876 -2.049 -1.740 1.00 0.31 C ATOM 0 H VAL A 477 13.563 -4.364 -2.091 1.00 0.25 H new ATOM 0 HA VAL A 477 12.926 -2.430 -4.170 1.00 0.29 H new ATOM 0 HB VAL A 477 13.962 -2.284 -1.312 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.491 0.107 -1.408 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.759 -0.368 -2.563 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.109 -0.037 -3.140 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.675 -1.461 -0.844 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.250 -1.690 -2.557 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.651 -3.097 -1.544 1.00 0.31 H new ATOM 1265 N GLY A 478 15.121 -1.912 -5.076 1.00 0.43 N ATOM 1266 CA GLY A 478 16.412 -1.651 -5.676 1.00 0.53 C ATOM 1267 C GLY A 478 16.693 -2.582 -6.849 1.00 1.15 C ATOM 1268 O GLY A 478 16.535 -2.177 -8.001 1.00 1.69 O ATOM 0 H GLY A 478 14.323 -1.612 -5.636 1.00 0.43 H new ATOM 0 HA2 GLY A 478 16.451 -0.616 -6.016 1.00 0.53 H new ATOM 0 HA3 GLY A 478 17.192 -1.769 -4.924 1.00 0.53 H new ATOM 1272 N ASN A 479 17.075 -3.838 -6.571 1.00 1.80 N ATOM 1273 CA ASN A 479 17.382 -4.805 -7.630 1.00 2.82 C ATOM 1274 C ASN A 479 17.806 -6.143 -7.051 1.00 3.58 C ATOM 1275 O ASN A 479 17.758 -7.162 -7.736 1.00 4.40 O ATOM 1276 CB ASN A 479 18.502 -4.314 -8.578 1.00 3.20 C ATOM 1277 CG ASN A 479 19.874 -4.128 -7.918 1.00 3.99 C ATOM 1278 OD1 ASN A 479 19.927 -3.747 -6.642 1.00 4.47 O flip ATOM 1279 ND2 ASN A 479 20.901 -4.318 -8.572 1.00 4.61 N flip ATOM 0 H ASN A 479 17.178 -4.204 -5.625 1.00 1.80 H new ATOM 0 HA ASN A 479 16.460 -4.916 -8.200 1.00 2.82 H new ATOM 0 HB2 ASN A 479 18.603 -5.027 -9.397 1.00 3.20 H new ATOM 0 HB3 ASN A 479 18.195 -3.365 -9.018 1.00 3.20 H new ATOM 0 HD21 ASN A 479 20.838 -4.609 -9.547 1.00 4.61 H new ATOM 0 HD22 ASN A 479 21.814 -4.184 -8.138 1.00 4.61 H new ATOM 1286 N SER A 480 18.209 -6.155 -5.791 1.00 3.56 N ATOM 1287 CA SER A 480 18.929 -7.297 -5.268 1.00 4.40 C ATOM 1288 C SER A 480 18.773 -7.391 -3.752 1.00 4.81 C ATOM 1289 O SER A 480 19.258 -6.479 -3.046 1.00 4.88 O ATOM 1290 CB SER A 480 20.395 -7.141 -5.681 1.00 4.37 C ATOM 1291 OG SER A 480 21.028 -6.084 -4.976 1.00 4.36 O ATOM 1292 OXT SER A 480 18.162 -8.371 -3.274 1.00 5.40 O ATOM 0 H SER A 480 18.052 -5.400 -5.124 1.00 3.56 H new ATOM 0 HA SER A 480 18.528 -8.226 -5.673 1.00 4.40 H new ATOM 0 HB2 SER A 480 20.927 -8.074 -5.494 1.00 4.37 H new ATOM 0 HB3 SER A 480 20.453 -6.950 -6.753 1.00 4.37 H new ATOM 0 HG SER A 480 20.605 -5.977 -4.099 1.00 4.36 H new TER 1298 SER A 480