USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 Single : A 1 GLY N :NH3+ -119:sc= 0.0749 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 1.33 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.54 F(o=-2.1!,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 16 SER OG : rot 83:sc= 0.0111 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.95! C(o=-5.9!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0606 (180deg=-0.35) USER MOD Single : A 54 MET CE :methyl 169:sc= -1.42 (180deg=-1.92) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.024) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.3!) USER MOD Single : A 63 SER OG : rot 22:sc= 0.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.496 -16.317 5.186 1.00 0.00 N ATOM 2 CA GLY A 1 29.103 -15.085 4.719 1.00 0.00 C ATOM 3 C GLY A 1 28.240 -14.362 3.704 1.00 0.00 C ATOM 4 O GLY A 1 27.104 -14.759 3.451 1.00 0.00 O ATOM 0 H1 GLY A 1 28.341 -16.260 6.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.585 -16.459 4.705 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.127 -17.116 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.286 -14.428 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.073 -15.307 4.274 1.00 0.00 H new ATOM 8 N SER A 2 28.779 -13.295 3.124 1.00 0.00 N ATOM 9 CA SER A 2 28.048 -12.510 2.136 1.00 0.00 C ATOM 10 C SER A 2 28.879 -12.317 0.871 1.00 0.00 C ATOM 11 O SER A 2 28.408 -12.562 -0.239 1.00 0.00 O ATOM 12 CB SER A 2 27.661 -11.149 2.719 1.00 0.00 C ATOM 13 OG SER A 2 26.587 -11.273 3.635 1.00 0.00 O ATOM 0 H SER A 2 29.720 -12.954 3.321 1.00 0.00 H new ATOM 0 HA SER A 2 27.142 -13.056 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.522 -10.707 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.379 -10.472 1.913 1.00 0.00 H new ATOM 0 HG SER A 2 26.360 -10.390 3.994 1.00 0.00 H new ATOM 19 N SER A 3 30.121 -11.875 1.049 1.00 0.00 N ATOM 20 CA SER A 3 31.018 -11.644 -0.076 1.00 0.00 C ATOM 21 C SER A 3 30.395 -10.681 -1.081 1.00 0.00 C ATOM 22 O SER A 3 30.434 -10.912 -2.288 1.00 0.00 O ATOM 23 CB SER A 3 31.357 -12.968 -0.765 1.00 0.00 C ATOM 24 OG SER A 3 32.095 -13.816 0.096 1.00 0.00 O ATOM 0 H SER A 3 30.528 -11.670 1.962 1.00 0.00 H new ATOM 0 HA SER A 3 31.934 -11.196 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.438 -13.467 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.932 -12.774 -1.670 1.00 0.00 H new ATOM 0 HG SER A 3 32.298 -14.656 -0.367 1.00 0.00 H new ATOM 30 N GLY A 4 29.816 -9.597 -0.570 1.00 0.00 N ATOM 31 CA GLY A 4 29.191 -8.613 -1.436 1.00 0.00 C ATOM 32 C GLY A 4 27.680 -8.729 -1.449 1.00 0.00 C ATOM 33 O GLY A 4 27.084 -9.048 -2.478 1.00 0.00 O ATOM 0 H GLY A 4 29.769 -9.383 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.473 -7.613 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.570 -8.733 -2.451 1.00 0.00 H new ATOM 37 N SER A 5 27.058 -8.475 -0.302 1.00 0.00 N ATOM 38 CA SER A 5 25.607 -8.558 -0.185 1.00 0.00 C ATOM 39 C SER A 5 24.925 -7.874 -1.368 1.00 0.00 C ATOM 40 O SER A 5 25.524 -7.039 -2.044 1.00 0.00 O ATOM 41 CB SER A 5 25.142 -7.918 1.124 1.00 0.00 C ATOM 42 OG SER A 5 25.503 -6.549 1.181 1.00 0.00 O ATOM 0 H SER A 5 27.536 -8.210 0.559 1.00 0.00 H new ATOM 0 HA SER A 5 25.328 -9.612 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.060 -8.016 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.583 -8.449 1.968 1.00 0.00 H new ATOM 0 HG SER A 5 25.192 -6.164 2.027 1.00 0.00 H new ATOM 48 N SER A 6 23.670 -8.237 -1.608 1.00 0.00 N ATOM 49 CA SER A 6 22.907 -7.663 -2.711 1.00 0.00 C ATOM 50 C SER A 6 21.437 -8.066 -2.623 1.00 0.00 C ATOM 51 O SER A 6 21.090 -9.044 -1.963 1.00 0.00 O ATOM 52 CB SER A 6 23.492 -8.111 -4.051 1.00 0.00 C ATOM 53 OG SER A 6 24.517 -7.232 -4.481 1.00 0.00 O ATOM 0 H SER A 6 23.160 -8.925 -1.055 1.00 0.00 H new ATOM 0 HA SER A 6 22.972 -6.577 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.891 -9.121 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.702 -8.148 -4.802 1.00 0.00 H new ATOM 0 HG SER A 6 25.077 -6.984 -3.716 1.00 0.00 H new ATOM 59 N GLY A 7 20.580 -7.304 -3.295 1.00 0.00 N ATOM 60 CA GLY A 7 19.159 -7.597 -3.281 1.00 0.00 C ATOM 61 C GLY A 7 18.308 -6.344 -3.338 1.00 0.00 C ATOM 62 O GLY A 7 17.416 -6.154 -2.513 1.00 0.00 O ATOM 0 H GLY A 7 20.844 -6.489 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.915 -8.237 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.916 -8.157 -2.378 1.00 0.00 H new ATOM 66 N GLN A 8 18.585 -5.486 -4.315 1.00 0.00 N ATOM 67 CA GLN A 8 17.840 -4.243 -4.474 1.00 0.00 C ATOM 68 C GLN A 8 16.337 -4.504 -4.459 1.00 0.00 C ATOM 69 O GLN A 8 15.863 -5.560 -4.878 1.00 0.00 O ATOM 70 CB GLN A 8 18.236 -3.550 -5.779 1.00 0.00 C ATOM 71 CG GLN A 8 19.474 -2.677 -5.653 1.00 0.00 C ATOM 72 CD GLN A 8 19.373 -1.683 -4.513 1.00 0.00 C ATOM 73 OE1 GLN A 8 19.754 -2.112 -3.316 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 18.956 -0.540 -4.707 1.00 0.00 N flip ATOM 0 H GLN A 8 19.320 -5.629 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 8 18.086 -3.591 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.412 -4.307 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.403 -2.937 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.347 -3.311 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 8 19.631 -2.138 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.674 -0.252 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.893 0.119 -3.931 1.00 0.00 H new ATOM 83 N PRO A 9 15.571 -3.520 -3.966 1.00 0.00 N ATOM 84 CA PRO A 9 14.110 -3.621 -3.885 1.00 0.00 C ATOM 85 C PRO A 9 13.449 -3.581 -5.258 1.00 0.00 C ATOM 86 O PRO A 9 13.940 -2.945 -6.191 1.00 0.00 O ATOM 87 CB PRO A 9 13.715 -2.390 -3.065 1.00 0.00 C ATOM 88 CG PRO A 9 14.819 -1.415 -3.290 1.00 0.00 C ATOM 89 CD PRO A 9 16.069 -2.236 -3.450 1.00 0.00 C ATOM 0 HA PRO A 9 13.790 -4.565 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.757 -1.986 -3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.612 -2.635 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.632 -0.812 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.909 -0.726 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.770 -1.770 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.592 -2.360 -2.502 1.00 0.00 H new ATOM 97 N PRO A 10 12.308 -4.274 -5.387 1.00 0.00 N ATOM 98 CA PRO A 10 11.555 -4.332 -6.643 1.00 0.00 C ATOM 99 C PRO A 10 10.899 -2.999 -6.988 1.00 0.00 C ATOM 100 O PRO A 10 11.137 -1.989 -6.324 1.00 0.00 O ATOM 101 CB PRO A 10 10.491 -5.398 -6.369 1.00 0.00 C ATOM 102 CG PRO A 10 10.317 -5.387 -4.890 1.00 0.00 C ATOM 103 CD PRO A 10 11.665 -5.054 -4.316 1.00 0.00 C ATOM 0 HA PRO A 10 12.197 -4.560 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.556 -5.165 -6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.812 -6.378 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.573 -4.649 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.969 -6.355 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.578 -4.477 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.233 -5.953 -4.077 1.00 0.00 H new ATOM 111 N LEU A 11 10.071 -3.004 -8.028 1.00 0.00 N ATOM 112 CA LEU A 11 9.379 -1.794 -8.459 1.00 0.00 C ATOM 113 C LEU A 11 8.237 -1.452 -7.509 1.00 0.00 C ATOM 114 O LEU A 11 7.950 -2.194 -6.571 1.00 0.00 O ATOM 115 CB LEU A 11 8.842 -1.971 -9.880 1.00 0.00 C ATOM 116 CG LEU A 11 8.462 -3.397 -10.281 1.00 0.00 C ATOM 117 CD1 LEU A 11 7.561 -4.026 -9.230 1.00 0.00 C ATOM 118 CD2 LEU A 11 7.782 -3.404 -11.643 1.00 0.00 C ATOM 0 H LEU A 11 9.863 -3.831 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 11 10.094 -0.971 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.964 -1.336 -9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.594 -1.607 -10.579 1.00 0.00 H new ATOM 0 HG LEU A 11 9.374 -3.990 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.301 -5.040 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.083 -4.056 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.652 -3.434 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.518 -4.427 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.879 -2.795 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.461 -2.995 -12.391 1.00 0.00 H new ATOM 130 N LYS A 12 7.583 -0.322 -7.760 1.00 0.00 N ATOM 131 CA LYS A 12 6.468 0.118 -6.930 1.00 0.00 C ATOM 132 C LYS A 12 5.181 -0.602 -7.322 1.00 0.00 C ATOM 133 O LYS A 12 4.332 -0.875 -6.477 1.00 0.00 O ATOM 134 CB LYS A 12 6.278 1.632 -7.058 1.00 0.00 C ATOM 135 CG LYS A 12 5.888 2.080 -8.455 1.00 0.00 C ATOM 136 CD LYS A 12 5.466 3.540 -8.476 1.00 0.00 C ATOM 137 CE LYS A 12 5.424 4.089 -9.893 1.00 0.00 C ATOM 138 NZ LYS A 12 6.742 4.642 -10.312 1.00 0.00 N ATOM 0 H LYS A 12 7.807 0.306 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 12 6.699 -0.127 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.510 1.954 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.203 2.131 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.729 1.934 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.071 1.459 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.483 3.642 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.161 4.129 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.127 3.297 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.665 4.869 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.673 5.006 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.014 5.415 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.461 3.892 -10.274 1.00 0.00 H new ATOM 152 N ASN A 13 5.047 -0.906 -8.608 1.00 0.00 N ATOM 153 CA ASN A 13 3.864 -1.596 -9.110 1.00 0.00 C ATOM 154 C ASN A 13 3.486 -2.760 -8.201 1.00 0.00 C ATOM 155 O ASN A 13 2.316 -3.137 -8.110 1.00 0.00 O ATOM 156 CB ASN A 13 4.111 -2.104 -10.533 1.00 0.00 C ATOM 157 CG ASN A 13 3.745 -1.077 -11.586 1.00 0.00 C ATOM 158 OD1 ASN A 13 2.891 -1.322 -12.438 1.00 0.00 O ATOM 159 ND2 ASN A 13 4.391 0.082 -11.530 1.00 0.00 N ATOM 0 H ASN A 13 5.742 -0.686 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 13 3.037 -0.886 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.161 -2.374 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.530 -3.012 -10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.187 0.813 -12.211 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.091 0.241 -10.806 1.00 0.00 H new ATOM 166 N LEU A 14 4.482 -3.325 -7.527 1.00 0.00 N ATOM 167 CA LEU A 14 4.253 -4.446 -6.623 1.00 0.00 C ATOM 168 C LEU A 14 3.105 -4.148 -5.663 1.00 0.00 C ATOM 169 O LEU A 14 2.061 -4.800 -5.704 1.00 0.00 O ATOM 170 CB LEU A 14 5.526 -4.757 -5.832 1.00 0.00 C ATOM 171 CG LEU A 14 5.497 -6.031 -4.986 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.443 -5.923 -3.895 1.00 0.00 C ATOM 173 CD2 LEU A 14 5.238 -7.247 -5.862 1.00 0.00 C ATOM 0 H LEU A 14 5.455 -3.025 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 14 3.983 -5.315 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.357 -4.830 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.737 -3.913 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 14 6.471 -6.151 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.437 -6.838 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.673 -5.075 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.463 -5.778 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.221 -8.144 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.278 -7.135 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.030 -7.335 -6.606 1.00 0.00 H new ATOM 185 N LEU A 15 3.306 -3.156 -4.800 1.00 0.00 N ATOM 186 CA LEU A 15 2.285 -2.769 -3.831 1.00 0.00 C ATOM 187 C LEU A 15 1.178 -1.963 -4.500 1.00 0.00 C ATOM 188 O LEU A 15 -0.001 -2.300 -4.388 1.00 0.00 O ATOM 189 CB LEU A 15 2.915 -1.952 -2.700 1.00 0.00 C ATOM 190 CG LEU A 15 4.195 -2.525 -2.090 1.00 0.00 C ATOM 191 CD1 LEU A 15 4.883 -1.485 -1.221 1.00 0.00 C ATOM 192 CD2 LEU A 15 3.887 -3.778 -1.283 1.00 0.00 C ATOM 0 H LEU A 15 4.164 -2.607 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 15 1.847 -3.677 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.132 -0.953 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.177 -1.839 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 15 4.871 -2.797 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.792 -1.910 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.138 -0.616 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.213 -1.182 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.809 -4.172 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.192 -3.532 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.439 -4.529 -1.934 1.00 0.00 H new ATOM 204 N SER A 16 1.564 -0.899 -5.198 1.00 0.00 N ATOM 205 CA SER A 16 0.602 -0.044 -5.884 1.00 0.00 C ATOM 206 C SER A 16 -0.556 -0.867 -6.441 1.00 0.00 C ATOM 207 O SER A 16 -1.724 -0.532 -6.240 1.00 0.00 O ATOM 208 CB SER A 16 1.287 0.725 -7.014 1.00 0.00 C ATOM 209 OG SER A 16 2.274 1.606 -6.508 1.00 0.00 O ATOM 0 H SER A 16 2.536 -0.609 -5.303 1.00 0.00 H new ATOM 0 HA SER A 16 0.204 0.667 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.745 0.022 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.544 1.291 -7.575 1.00 0.00 H new ATOM 0 HG SER A 16 3.106 1.112 -6.356 1.00 0.00 H new ATOM 215 N LEU A 17 -0.223 -1.946 -7.140 1.00 0.00 N ATOM 216 CA LEU A 17 -1.234 -2.819 -7.728 1.00 0.00 C ATOM 217 C LEU A 17 -2.322 -3.151 -6.711 1.00 0.00 C ATOM 218 O LEU A 17 -3.502 -2.878 -6.940 1.00 0.00 O ATOM 219 CB LEU A 17 -0.587 -4.106 -8.240 1.00 0.00 C ATOM 220 CG LEU A 17 0.102 -4.017 -9.602 1.00 0.00 C ATOM 221 CD1 LEU A 17 1.216 -5.046 -9.705 1.00 0.00 C ATOM 222 CD2 LEU A 17 -0.910 -4.207 -10.725 1.00 0.00 C ATOM 0 H LEU A 17 0.739 -2.238 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.693 -2.293 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.147 -4.437 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.355 -4.878 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 17 0.543 -3.025 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.695 -4.968 -10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.953 -4.863 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.800 -6.046 -9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.402 -4.141 -11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.380 -5.186 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.673 -3.431 -10.663 1.00 0.00 H new ATOM 234 N LEU A 18 -1.919 -3.739 -5.592 1.00 0.00 N ATOM 235 CA LEU A 18 -2.859 -4.106 -4.540 1.00 0.00 C ATOM 236 C LEU A 18 -3.869 -2.987 -4.294 1.00 0.00 C ATOM 237 O LEU A 18 -5.065 -3.236 -4.156 1.00 0.00 O ATOM 238 CB LEU A 18 -2.109 -4.424 -3.244 1.00 0.00 C ATOM 239 CG LEU A 18 -1.521 -5.830 -3.138 1.00 0.00 C ATOM 240 CD1 LEU A 18 -0.527 -5.908 -1.990 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.627 -6.859 -2.958 1.00 0.00 C ATOM 0 H LEU A 18 -0.947 -3.972 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.400 -4.994 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.299 -3.703 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.790 -4.273 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.993 -6.052 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.119 -6.917 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.283 -5.198 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.031 -5.665 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.189 -7.855 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.184 -6.639 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.302 -6.822 -3.813 1.00 0.00 H new ATOM 253 N LYS A 19 -3.375 -1.755 -4.245 1.00 0.00 N ATOM 254 CA LYS A 19 -4.231 -0.596 -4.020 1.00 0.00 C ATOM 255 C LYS A 19 -5.574 -0.768 -4.723 1.00 0.00 C ATOM 256 O LYS A 19 -6.624 -0.463 -4.158 1.00 0.00 O ATOM 257 CB LYS A 19 -3.543 0.677 -4.519 1.00 0.00 C ATOM 258 CG LYS A 19 -4.094 1.948 -3.897 1.00 0.00 C ATOM 259 CD LYS A 19 -3.771 3.168 -4.745 1.00 0.00 C ATOM 260 CE LYS A 19 -4.086 4.459 -4.006 1.00 0.00 C ATOM 261 NZ LYS A 19 -3.596 5.655 -4.746 1.00 0.00 N ATOM 0 H LYS A 19 -2.386 -1.533 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.409 -0.510 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.476 0.611 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.649 0.737 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.174 1.859 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.676 2.077 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.716 3.153 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.342 3.130 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.163 4.539 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.630 4.432 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.830 6.515 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.565 5.591 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.051 5.695 -5.680 1.00 0.00 H new ATOM 275 N ALA A 20 -5.533 -1.260 -5.957 1.00 0.00 N ATOM 276 CA ALA A 20 -6.747 -1.476 -6.734 1.00 0.00 C ATOM 277 C ALA A 20 -7.886 -1.968 -5.847 1.00 0.00 C ATOM 278 O ALA A 20 -8.948 -1.348 -5.785 1.00 0.00 O ATOM 279 CB ALA A 20 -6.486 -2.468 -7.858 1.00 0.00 C ATOM 0 H ALA A 20 -4.672 -1.516 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.045 -0.522 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.402 -2.619 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.709 -2.077 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.160 -3.419 -7.436 1.00 0.00 H new ATOM 285 N TYR A 21 -7.659 -3.085 -5.166 1.00 0.00 N ATOM 286 CA TYR A 21 -8.668 -3.662 -4.286 1.00 0.00 C ATOM 287 C TYR A 21 -8.934 -2.751 -3.091 1.00 0.00 C ATOM 288 O TYR A 21 -10.080 -2.550 -2.691 1.00 0.00 O ATOM 289 CB TYR A 21 -8.223 -5.042 -3.801 1.00 0.00 C ATOM 290 CG TYR A 21 -7.658 -5.916 -4.897 1.00 0.00 C ATOM 291 CD1 TYR A 21 -8.494 -6.670 -5.712 1.00 0.00 C ATOM 292 CD2 TYR A 21 -6.289 -5.988 -5.119 1.00 0.00 C ATOM 293 CE1 TYR A 21 -7.983 -7.471 -6.715 1.00 0.00 C ATOM 294 CE2 TYR A 21 -5.769 -6.785 -6.121 1.00 0.00 C ATOM 295 CZ TYR A 21 -6.618 -7.525 -6.915 1.00 0.00 C ATOM 296 OH TYR A 21 -6.106 -8.319 -7.914 1.00 0.00 O ATOM 0 H TYR A 21 -6.785 -3.609 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.593 -3.765 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.471 -4.919 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.073 -5.549 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.562 -6.629 -5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.619 -5.411 -4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.647 -8.051 -7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.702 -6.828 -6.281 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.129 -8.244 -7.923 1.00 0.00 H new ATOM 306 N TYR A 22 -7.864 -2.202 -2.525 1.00 0.00 N ATOM 307 CA TYR A 22 -7.979 -1.314 -1.375 1.00 0.00 C ATOM 308 C TYR A 22 -8.916 -0.149 -1.678 1.00 0.00 C ATOM 309 O TYR A 22 -9.632 0.331 -0.799 1.00 0.00 O ATOM 310 CB TYR A 22 -6.601 -0.783 -0.975 1.00 0.00 C ATOM 311 CG TYR A 22 -6.649 0.260 0.118 1.00 0.00 C ATOM 312 CD1 TYR A 22 -7.244 -0.014 1.343 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.100 1.523 -0.076 1.00 0.00 C ATOM 314 CE1 TYR A 22 -7.290 0.937 2.344 1.00 0.00 C ATOM 315 CE2 TYR A 22 -6.139 2.479 0.921 1.00 0.00 C ATOM 316 CZ TYR A 22 -6.737 2.182 2.129 1.00 0.00 C ATOM 317 OH TYR A 22 -6.780 3.132 3.123 1.00 0.00 O ATOM 0 H TYR A 22 -6.908 -2.357 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.396 -1.886 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.982 -1.617 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.117 -0.355 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.678 -0.988 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.635 1.761 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.757 0.707 3.290 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.704 3.454 0.756 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.345 3.953 2.810 1.00 0.00 H new ATOM 327 N ALA A 23 -8.907 0.300 -2.929 1.00 0.00 N ATOM 328 CA ALA A 23 -9.758 1.407 -3.349 1.00 0.00 C ATOM 329 C ALA A 23 -11.187 1.219 -2.854 1.00 0.00 C ATOM 330 O ALA A 23 -11.742 2.090 -2.183 1.00 0.00 O ATOM 331 CB ALA A 23 -9.735 1.542 -4.864 1.00 0.00 C ATOM 0 H ALA A 23 -8.320 -0.086 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.367 2.323 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.374 2.372 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.714 1.731 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.100 0.620 -5.317 1.00 0.00 H new ATOM 337 N LEU A 24 -11.780 0.078 -3.188 1.00 0.00 N ATOM 338 CA LEU A 24 -13.146 -0.224 -2.777 1.00 0.00 C ATOM 339 C LEU A 24 -13.177 -0.793 -1.363 1.00 0.00 C ATOM 340 O LEU A 24 -13.920 -0.317 -0.507 1.00 0.00 O ATOM 341 CB LEU A 24 -13.785 -1.214 -3.752 1.00 0.00 C ATOM 342 CG LEU A 24 -12.839 -2.225 -4.401 1.00 0.00 C ATOM 343 CD1 LEU A 24 -13.571 -3.520 -4.713 1.00 0.00 C ATOM 344 CD2 LEU A 24 -12.219 -1.641 -5.663 1.00 0.00 C ATOM 0 H LEU A 24 -11.336 -0.654 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.716 0.705 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.563 -1.763 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.277 -0.648 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.038 -2.448 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.881 -4.226 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.964 -3.947 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.394 -3.317 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.549 -2.374 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.007 -1.388 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.657 -0.742 -5.410 1.00 0.00 H new ATOM 356 N ASN A 25 -12.362 -1.815 -1.125 1.00 0.00 N ATOM 357 CA ASN A 25 -12.293 -2.450 0.188 1.00 0.00 C ATOM 358 C ASN A 25 -11.284 -1.738 1.083 1.00 0.00 C ATOM 359 O ASN A 25 -10.081 -1.987 1.000 1.00 0.00 O ATOM 360 CB ASN A 25 -11.915 -3.925 0.045 1.00 0.00 C ATOM 361 CG ASN A 25 -12.232 -4.726 1.293 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.002 -4.269 2.413 1.00 0.00 O ATOM 363 ND2 ASN A 25 -12.763 -5.928 1.105 1.00 0.00 N ATOM 0 H ASN A 25 -11.740 -2.222 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.277 -2.378 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.448 -4.353 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.850 -4.005 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.998 -6.513 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.937 -6.267 0.159 1.00 0.00 H new ATOM 370 N ALA A 26 -11.781 -0.853 1.941 1.00 0.00 N ATOM 371 CA ALA A 26 -10.924 -0.109 2.854 1.00 0.00 C ATOM 372 C ALA A 26 -10.298 -1.032 3.896 1.00 0.00 C ATOM 373 O ALA A 26 -9.082 -1.033 4.085 1.00 0.00 O ATOM 374 CB ALA A 26 -11.713 1.000 3.535 1.00 0.00 C ATOM 0 H ALA A 26 -12.774 -0.634 2.022 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.118 0.338 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.059 1.547 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.106 1.682 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.539 0.566 4.098 1.00 0.00 H new ATOM 380 N GLN A 27 -11.139 -1.812 4.567 1.00 0.00 N ATOM 381 CA GLN A 27 -10.667 -2.738 5.591 1.00 0.00 C ATOM 382 C GLN A 27 -11.190 -4.147 5.332 1.00 0.00 C ATOM 383 O GLN A 27 -12.159 -4.598 5.943 1.00 0.00 O ATOM 384 CB GLN A 27 -11.105 -2.265 6.977 1.00 0.00 C ATOM 385 CG GLN A 27 -12.609 -2.089 7.113 1.00 0.00 C ATOM 386 CD GLN A 27 -12.988 -1.159 8.249 1.00 0.00 C ATOM 387 OE1 GLN A 27 -12.645 -1.403 9.405 1.00 0.00 O ATOM 388 NE2 GLN A 27 -13.701 -0.086 7.925 1.00 0.00 N ATOM 0 H GLN A 27 -12.148 -1.822 4.421 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.578 -2.761 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.763 -2.984 7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.615 -1.317 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.011 -1.697 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.072 -3.062 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.964 0.077 6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.986 0.575 8.648 1.00 0.00 H new ATOM 397 N PRO A 28 -10.535 -4.862 4.404 1.00 0.00 N ATOM 398 CA PRO A 28 -10.916 -6.230 4.045 1.00 0.00 C ATOM 399 C PRO A 28 -10.620 -7.226 5.161 1.00 0.00 C ATOM 400 O PRO A 28 -9.768 -6.984 6.013 1.00 0.00 O ATOM 401 CB PRO A 28 -10.049 -6.529 2.818 1.00 0.00 C ATOM 402 CG PRO A 28 -8.867 -5.634 2.963 1.00 0.00 C ATOM 403 CD PRO A 28 -9.371 -4.387 3.636 1.00 0.00 C ATOM 0 HA PRO A 28 -11.986 -6.320 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.751 -7.577 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.588 -6.326 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.088 -6.110 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.431 -5.404 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.614 -3.946 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.652 -3.624 2.910 1.00 0.00 H new ATOM 411 N SER A 29 -11.334 -8.348 5.149 1.00 0.00 N ATOM 412 CA SER A 29 -11.151 -9.381 6.163 1.00 0.00 C ATOM 413 C SER A 29 -10.194 -10.463 5.670 1.00 0.00 C ATOM 414 O SER A 29 -9.834 -10.499 4.494 1.00 0.00 O ATOM 415 CB SER A 29 -12.497 -10.005 6.535 1.00 0.00 C ATOM 416 OG SER A 29 -13.434 -9.010 6.910 1.00 0.00 O ATOM 0 H SER A 29 -12.044 -8.565 4.449 1.00 0.00 H new ATOM 0 HA SER A 29 -10.719 -8.914 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.884 -10.573 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.361 -10.709 7.356 1.00 0.00 H new ATOM 0 HG SER A 29 -14.287 -9.434 7.141 1.00 0.00 H new ATOM 422 N ALA A 30 -9.787 -11.343 6.580 1.00 0.00 N ATOM 423 CA ALA A 30 -8.874 -12.426 6.238 1.00 0.00 C ATOM 424 C ALA A 30 -9.381 -13.212 5.034 1.00 0.00 C ATOM 425 O ALA A 30 -8.714 -13.281 4.003 1.00 0.00 O ATOM 426 CB ALA A 30 -8.684 -13.351 7.431 1.00 0.00 C ATOM 0 H ALA A 30 -10.075 -11.327 7.558 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.912 -11.987 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.000 -14.156 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.270 -12.787 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.646 -13.774 7.720 1.00 0.00 H new ATOM 432 N GLU A 31 -10.565 -13.802 5.172 1.00 0.00 N ATOM 433 CA GLU A 31 -11.159 -14.584 4.096 1.00 0.00 C ATOM 434 C GLU A 31 -10.826 -13.977 2.735 1.00 0.00 C ATOM 435 O GLU A 31 -10.588 -14.696 1.765 1.00 0.00 O ATOM 436 CB GLU A 31 -12.676 -14.666 4.272 1.00 0.00 C ATOM 437 CG GLU A 31 -13.109 -15.577 5.409 1.00 0.00 C ATOM 438 CD GLU A 31 -12.379 -16.906 5.400 1.00 0.00 C ATOM 439 OE1 GLU A 31 -11.239 -16.960 5.910 1.00 0.00 O ATOM 440 OE2 GLU A 31 -12.946 -17.892 4.886 1.00 0.00 O ATOM 0 H GLU A 31 -11.131 -13.752 6.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.741 -15.590 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.067 -13.664 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.122 -15.021 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.931 -15.075 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.182 -15.755 5.339 1.00 0.00 H new ATOM 447 N GLU A 32 -10.813 -12.650 2.673 1.00 0.00 N ATOM 448 CA GLU A 32 -10.510 -11.946 1.432 1.00 0.00 C ATOM 449 C GLU A 32 -9.004 -11.781 1.253 1.00 0.00 C ATOM 450 O GLU A 32 -8.435 -12.213 0.250 1.00 0.00 O ATOM 451 CB GLU A 32 -11.189 -10.574 1.419 1.00 0.00 C ATOM 452 CG GLU A 32 -12.661 -10.628 1.041 1.00 0.00 C ATOM 453 CD GLU A 32 -13.228 -9.259 0.717 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.625 -8.550 -0.116 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.275 -8.899 1.293 1.00 0.00 O ATOM 0 H GLU A 32 -11.009 -12.040 3.467 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.894 -12.542 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.092 -10.120 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.665 -9.925 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.788 -11.283 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.228 -11.067 1.862 1.00 0.00 H new ATOM 462 N LEU A 33 -8.363 -11.151 2.232 1.00 0.00 N ATOM 463 CA LEU A 33 -6.922 -10.928 2.184 1.00 0.00 C ATOM 464 C LEU A 33 -6.207 -12.119 1.556 1.00 0.00 C ATOM 465 O LEU A 33 -5.443 -11.968 0.602 1.00 0.00 O ATOM 466 CB LEU A 33 -6.377 -10.675 3.591 1.00 0.00 C ATOM 467 CG LEU A 33 -6.614 -9.276 4.161 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.662 -9.320 5.680 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.534 -8.316 3.686 1.00 0.00 C ATOM 0 H LEU A 33 -8.818 -10.786 3.068 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.736 -10.049 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.825 -11.402 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.304 -10.865 3.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.576 -8.915 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.831 -8.316 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.473 -9.974 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.716 -9.702 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.719 -7.326 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.559 -8.672 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.549 -8.261 2.597 1.00 0.00 H new ATOM 481 N SER A 34 -6.461 -13.308 2.097 1.00 0.00 N ATOM 482 CA SER A 34 -5.840 -14.527 1.590 1.00 0.00 C ATOM 483 C SER A 34 -6.009 -14.634 0.078 1.00 0.00 C ATOM 484 O SER A 34 -5.039 -14.818 -0.656 1.00 0.00 O ATOM 485 CB SER A 34 -6.448 -15.754 2.271 1.00 0.00 C ATOM 486 OG SER A 34 -5.692 -16.919 1.990 1.00 0.00 O ATOM 0 H SER A 34 -7.092 -13.452 2.885 1.00 0.00 H new ATOM 0 HA SER A 34 -4.775 -14.485 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.488 -15.594 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.474 -15.892 1.931 1.00 0.00 H new ATOM 0 HG SER A 34 -6.100 -17.689 2.438 1.00 0.00 H new ATOM 492 N LYS A 35 -7.251 -14.520 -0.382 1.00 0.00 N ATOM 493 CA LYS A 35 -7.550 -14.603 -1.807 1.00 0.00 C ATOM 494 C LYS A 35 -6.719 -13.598 -2.597 1.00 0.00 C ATOM 495 O LYS A 35 -5.938 -13.976 -3.471 1.00 0.00 O ATOM 496 CB LYS A 35 -9.040 -14.351 -2.051 1.00 0.00 C ATOM 497 CG LYS A 35 -9.886 -15.612 -2.001 1.00 0.00 C ATOM 498 CD LYS A 35 -11.108 -15.500 -2.898 1.00 0.00 C ATOM 499 CE LYS A 35 -12.230 -16.411 -2.427 1.00 0.00 C ATOM 500 NZ LYS A 35 -13.365 -16.436 -3.390 1.00 0.00 N ATOM 0 H LYS A 35 -8.067 -14.370 0.212 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.296 -15.606 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.408 -13.647 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.165 -13.878 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.285 -16.467 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.203 -15.798 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.457 -14.468 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.834 -15.757 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.845 -17.422 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.587 -16.074 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.109 -17.068 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.749 -15.476 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.030 -16.782 -4.312 1.00 0.00 H new ATOM 514 N ILE A 36 -6.889 -12.318 -2.284 1.00 0.00 N ATOM 515 CA ILE A 36 -6.151 -11.260 -2.964 1.00 0.00 C ATOM 516 C ILE A 36 -4.668 -11.600 -3.061 1.00 0.00 C ATOM 517 O ILE A 36 -4.002 -11.245 -4.032 1.00 0.00 O ATOM 518 CB ILE A 36 -6.311 -9.909 -2.241 1.00 0.00 C ATOM 519 CG1 ILE A 36 -7.741 -9.389 -2.398 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.310 -8.899 -2.783 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.688 -9.900 -1.336 1.00 0.00 C ATOM 0 H ILE A 36 -7.531 -11.988 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.568 -11.178 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.113 -10.054 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.728 -8.299 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.118 -9.677 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.434 -7.949 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.297 -9.270 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.481 -8.754 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.684 -9.491 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.730 -10.988 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.334 -9.589 -0.353 1.00 0.00 H new ATOM 533 N ALA A 37 -4.158 -12.294 -2.049 1.00 0.00 N ATOM 534 CA ALA A 37 -2.754 -12.685 -2.022 1.00 0.00 C ATOM 535 C ALA A 37 -2.454 -13.726 -3.096 1.00 0.00 C ATOM 536 O ALA A 37 -1.548 -13.548 -3.910 1.00 0.00 O ATOM 537 CB ALA A 37 -2.381 -13.221 -0.647 1.00 0.00 C ATOM 0 H ALA A 37 -4.696 -12.597 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.152 -11.801 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.330 -13.509 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.549 -12.448 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.997 -14.090 -0.416 1.00 0.00 H new ATOM 543 N ASP A 38 -3.219 -14.812 -3.090 1.00 0.00 N ATOM 544 CA ASP A 38 -3.035 -15.882 -4.065 1.00 0.00 C ATOM 545 C ASP A 38 -2.971 -15.320 -5.481 1.00 0.00 C ATOM 546 O ASP A 38 -2.457 -15.970 -6.394 1.00 0.00 O ATOM 547 CB ASP A 38 -4.171 -16.900 -3.956 1.00 0.00 C ATOM 548 CG ASP A 38 -3.883 -18.174 -4.727 1.00 0.00 C ATOM 549 OD1 ASP A 38 -2.705 -18.587 -4.771 1.00 0.00 O ATOM 550 OD2 ASP A 38 -4.835 -18.757 -5.288 1.00 0.00 O ATOM 0 H ASP A 38 -3.972 -14.975 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.090 -16.380 -3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.337 -17.144 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.092 -16.453 -4.329 1.00 0.00 H new ATOM 555 N SER A 39 -3.498 -14.113 -5.659 1.00 0.00 N ATOM 556 CA SER A 39 -3.505 -13.467 -6.965 1.00 0.00 C ATOM 557 C SER A 39 -2.188 -12.738 -7.220 1.00 0.00 C ATOM 558 O SER A 39 -1.622 -12.817 -8.311 1.00 0.00 O ATOM 559 CB SER A 39 -4.672 -12.483 -7.066 1.00 0.00 C ATOM 560 OG SER A 39 -5.862 -13.143 -7.465 1.00 0.00 O ATOM 0 H SER A 39 -3.926 -13.563 -4.914 1.00 0.00 H new ATOM 0 HA SER A 39 -3.625 -14.241 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.827 -11.998 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.429 -11.698 -7.783 1.00 0.00 H new ATOM 0 HG SER A 39 -6.594 -12.493 -7.521 1.00 0.00 H new ATOM 566 N VAL A 40 -1.707 -12.028 -6.204 1.00 0.00 N ATOM 567 CA VAL A 40 -0.457 -11.286 -6.315 1.00 0.00 C ATOM 568 C VAL A 40 0.733 -12.150 -5.910 1.00 0.00 C ATOM 569 O VAL A 40 1.798 -11.637 -5.568 1.00 0.00 O ATOM 570 CB VAL A 40 -0.478 -10.018 -5.440 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.448 -8.993 -6.008 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.840 -10.368 -4.005 1.00 0.00 C ATOM 0 H VAL A 40 -2.164 -11.951 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.353 -10.996 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 40 0.520 -9.579 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.449 -8.104 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.140 -8.721 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.451 -9.419 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.850 -9.461 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.826 -10.831 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.103 -11.063 -3.603 1.00 0.00 H new ATOM 582 N ASN A 41 0.544 -13.465 -5.952 1.00 0.00 N ATOM 583 CA ASN A 41 1.602 -14.401 -5.590 1.00 0.00 C ATOM 584 C ASN A 41 2.268 -13.987 -4.281 1.00 0.00 C ATOM 585 O ASN A 41 3.490 -14.068 -4.141 1.00 0.00 O ATOM 586 CB ASN A 41 2.645 -14.479 -6.705 1.00 0.00 C ATOM 587 CG ASN A 41 2.295 -15.515 -7.756 1.00 0.00 C ATOM 588 OD1 ASN A 41 1.830 -15.178 -8.844 1.00 0.00 O ATOM 589 ND2 ASN A 41 2.516 -16.784 -7.431 1.00 0.00 N ATOM 0 H ASN A 41 -0.332 -13.906 -6.233 1.00 0.00 H new ATOM 0 HA ASN A 41 1.153 -15.385 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.739 -13.502 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.617 -14.718 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.298 -17.526 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.903 -17.016 -6.516 1.00 0.00 H new ATOM 596 N LEU A 42 1.459 -13.545 -3.325 1.00 0.00 N ATOM 597 CA LEU A 42 1.971 -13.119 -2.026 1.00 0.00 C ATOM 598 C LEU A 42 1.178 -13.760 -0.893 1.00 0.00 C ATOM 599 O LEU A 42 0.018 -14.142 -1.051 1.00 0.00 O ATOM 600 CB LEU A 42 1.911 -11.596 -1.908 1.00 0.00 C ATOM 601 CG LEU A 42 3.026 -10.822 -2.613 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.758 -9.326 -2.552 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.377 -11.150 -1.994 1.00 0.00 C ATOM 0 H LEU A 42 0.446 -13.472 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 42 3.009 -13.443 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.954 -11.258 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.927 -11.333 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 42 3.046 -11.124 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.562 -8.791 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.810 -9.106 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.710 -9.007 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.158 -10.590 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.370 -10.877 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.572 -12.218 -2.091 1.00 0.00 H new ATOM 615 N PRO A 43 1.816 -13.882 0.280 1.00 0.00 N ATOM 616 CA PRO A 43 1.189 -14.475 1.465 1.00 0.00 C ATOM 617 C PRO A 43 0.089 -13.590 2.043 1.00 0.00 C ATOM 618 O PRO A 43 -0.124 -12.467 1.584 1.00 0.00 O ATOM 619 CB PRO A 43 2.348 -14.602 2.456 1.00 0.00 C ATOM 620 CG PRO A 43 3.320 -13.553 2.037 1.00 0.00 C ATOM 621 CD PRO A 43 3.200 -13.450 0.541 1.00 0.00 C ATOM 0 HA PRO A 43 0.701 -15.422 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.012 -14.444 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.796 -15.595 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.094 -12.599 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.335 -13.822 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.376 -12.432 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.923 -14.090 0.035 1.00 0.00 H new ATOM 629 N LEU A 44 -0.607 -14.101 3.053 1.00 0.00 N ATOM 630 CA LEU A 44 -1.685 -13.357 3.694 1.00 0.00 C ATOM 631 C LEU A 44 -1.129 -12.303 4.646 1.00 0.00 C ATOM 632 O LEU A 44 -1.764 -11.281 4.896 1.00 0.00 O ATOM 633 CB LEU A 44 -2.609 -14.311 4.455 1.00 0.00 C ATOM 634 CG LEU A 44 -3.433 -13.689 5.583 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.426 -12.683 5.025 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.154 -14.771 6.373 1.00 0.00 C ATOM 0 H LEU A 44 -0.444 -15.028 3.446 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.256 -12.852 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.294 -14.768 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.003 -15.114 4.875 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.756 -13.164 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.004 -12.250 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.888 -11.892 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.100 -13.184 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.736 -14.312 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.820 -15.323 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.423 -15.455 6.804 1.00 0.00 H new ATOM 648 N ASP A 45 0.066 -12.559 5.170 1.00 0.00 N ATOM 649 CA ASP A 45 0.711 -11.631 6.092 1.00 0.00 C ATOM 650 C ASP A 45 1.213 -10.395 5.355 1.00 0.00 C ATOM 651 O ASP A 45 0.928 -9.264 5.749 1.00 0.00 O ATOM 652 CB ASP A 45 1.871 -12.320 6.813 1.00 0.00 C ATOM 653 CG ASP A 45 1.438 -12.986 8.104 1.00 0.00 C ATOM 654 OD1 ASP A 45 0.452 -12.521 8.711 1.00 0.00 O ATOM 655 OD2 ASP A 45 2.087 -13.975 8.506 1.00 0.00 O ATOM 0 H ASP A 45 0.607 -13.401 4.972 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.027 -11.316 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.313 -13.067 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.648 -11.586 7.029 1.00 0.00 H new ATOM 660 N VAL A 46 1.968 -10.618 4.284 1.00 0.00 N ATOM 661 CA VAL A 46 2.512 -9.521 3.490 1.00 0.00 C ATOM 662 C VAL A 46 1.414 -8.555 3.060 1.00 0.00 C ATOM 663 O VAL A 46 1.563 -7.340 3.172 1.00 0.00 O ATOM 664 CB VAL A 46 3.240 -10.043 2.237 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.478 -8.912 1.247 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.551 -10.710 2.622 1.00 0.00 C ATOM 0 H VAL A 46 2.217 -11.548 3.946 1.00 0.00 H new ATOM 0 HA VAL A 46 3.226 -8.995 4.124 1.00 0.00 H new ATOM 0 HB VAL A 46 2.607 -10.788 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.993 -9.300 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.522 -8.484 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.090 -8.141 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.052 -11.073 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.192 -9.988 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.351 -11.548 3.290 1.00 0.00 H new ATOM 676 N VAL A 47 0.307 -9.107 2.570 1.00 0.00 N ATOM 677 CA VAL A 47 -0.819 -8.294 2.126 1.00 0.00 C ATOM 678 C VAL A 47 -1.468 -7.566 3.297 1.00 0.00 C ATOM 679 O VAL A 47 -1.889 -6.416 3.173 1.00 0.00 O ATOM 680 CB VAL A 47 -1.883 -9.150 1.413 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.088 -8.302 1.039 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.290 -9.820 0.184 1.00 0.00 C ATOM 0 H VAL A 47 0.167 -10.112 2.471 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.422 -7.562 1.423 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.217 -9.929 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.829 -8.924 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.526 -7.874 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.775 -7.499 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.055 -10.421 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.927 -9.058 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.462 -10.462 0.484 1.00 0.00 H new ATOM 692 N LYS A 48 -1.548 -8.246 4.437 1.00 0.00 N ATOM 693 CA LYS A 48 -2.145 -7.666 5.634 1.00 0.00 C ATOM 694 C LYS A 48 -1.428 -6.379 6.031 1.00 0.00 C ATOM 695 O LYS A 48 -2.055 -5.336 6.210 1.00 0.00 O ATOM 696 CB LYS A 48 -2.097 -8.667 6.790 1.00 0.00 C ATOM 697 CG LYS A 48 -3.301 -9.592 6.845 1.00 0.00 C ATOM 698 CD LYS A 48 -3.162 -10.622 7.951 1.00 0.00 C ATOM 699 CE LYS A 48 -4.521 -11.112 8.431 1.00 0.00 C ATOM 700 NZ LYS A 48 -4.398 -12.277 9.350 1.00 0.00 N ATOM 0 H LYS A 48 -1.206 -9.200 4.556 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.185 -7.428 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.192 -9.268 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.026 -8.120 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.205 -9.005 7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.416 -10.099 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.576 -11.467 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.614 -10.188 8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.040 -10.301 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.131 -11.390 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.345 -12.581 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.925 -13.061 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.838 -12.005 10.183 1.00 0.00 H new ATOM 714 N LYS A 49 -0.108 -6.461 6.167 1.00 0.00 N ATOM 715 CA LYS A 49 0.697 -5.304 6.539 1.00 0.00 C ATOM 716 C LYS A 49 0.384 -4.111 5.640 1.00 0.00 C ATOM 717 O LYS A 49 -0.056 -3.064 6.113 1.00 0.00 O ATOM 718 CB LYS A 49 2.186 -5.645 6.456 1.00 0.00 C ATOM 719 CG LYS A 49 2.757 -6.199 7.750 1.00 0.00 C ATOM 720 CD LYS A 49 2.213 -7.587 8.049 1.00 0.00 C ATOM 721 CE LYS A 49 2.992 -8.260 9.168 1.00 0.00 C ATOM 722 NZ LYS A 49 2.234 -9.393 9.768 1.00 0.00 N ATOM 0 H LYS A 49 0.427 -7.318 6.025 1.00 0.00 H new ATOM 0 HA LYS A 49 0.450 -5.035 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.339 -6.374 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.740 -4.748 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.844 -6.240 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.515 -5.527 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.162 -7.515 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.263 -8.200 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.943 -8.624 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.223 -7.527 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.799 -9.825 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.338 -9.042 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.036 -10.104 9.036 1.00 0.00 H new ATOM 736 N TRP A 50 0.616 -4.279 4.344 1.00 0.00 N ATOM 737 CA TRP A 50 0.359 -3.216 3.377 1.00 0.00 C ATOM 738 C TRP A 50 -0.881 -2.418 3.766 1.00 0.00 C ATOM 739 O TRP A 50 -0.834 -1.192 3.869 1.00 0.00 O ATOM 740 CB TRP A 50 0.184 -3.804 1.977 1.00 0.00 C ATOM 741 CG TRP A 50 -0.081 -2.768 0.927 1.00 0.00 C ATOM 742 CD1 TRP A 50 0.836 -2.197 0.090 1.00 0.00 C ATOM 743 CD2 TRP A 50 -1.344 -2.177 0.603 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.218 -1.287 -0.733 1.00 0.00 N ATOM 745 CE2 TRP A 50 -1.119 -1.257 -0.439 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.643 -2.339 1.092 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -2.148 -0.503 -0.999 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.661 -1.587 0.537 1.00 0.00 C ATOM 749 CH2 TRP A 50 -3.409 -0.679 -0.501 1.00 0.00 C ATOM 0 H TRP A 50 0.981 -5.140 3.937 1.00 0.00 H new ATOM 0 HA TRP A 50 1.217 -2.543 3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.082 -4.361 1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.641 -4.517 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.891 -2.427 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.680 -0.725 -1.447 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.848 -3.039 1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.956 0.197 -1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.668 -1.701 0.909 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.227 -0.108 -0.915 1.00 0.00 H new ATOM 760 N PHE A 51 -1.989 -3.120 3.980 1.00 0.00 N ATOM 761 CA PHE A 51 -3.241 -2.474 4.355 1.00 0.00 C ATOM 762 C PHE A 51 -3.067 -1.644 5.623 1.00 0.00 C ATOM 763 O PHE A 51 -3.422 -0.466 5.661 1.00 0.00 O ATOM 764 CB PHE A 51 -4.337 -3.522 4.566 1.00 0.00 C ATOM 765 CG PHE A 51 -5.113 -3.837 3.319 1.00 0.00 C ATOM 766 CD1 PHE A 51 -4.625 -4.746 2.394 1.00 0.00 C ATOM 767 CD2 PHE A 51 -6.330 -3.222 3.072 1.00 0.00 C ATOM 768 CE1 PHE A 51 -5.337 -5.037 1.246 1.00 0.00 C ATOM 769 CE2 PHE A 51 -7.047 -3.508 1.924 1.00 0.00 C ATOM 770 CZ PHE A 51 -6.550 -4.418 1.012 1.00 0.00 C ATOM 0 H PHE A 51 -2.045 -4.135 3.900 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.534 -1.808 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.884 -4.439 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.025 -3.167 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.677 -5.233 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.723 -2.511 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.946 -5.747 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.993 -3.021 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.109 -4.646 0.116 1.00 0.00 H new ATOM 780 N GLU A 52 -2.518 -2.267 6.661 1.00 0.00 N ATOM 781 CA GLU A 52 -2.297 -1.587 7.932 1.00 0.00 C ATOM 782 C GLU A 52 -1.446 -0.336 7.738 1.00 0.00 C ATOM 783 O GLU A 52 -1.609 0.657 8.449 1.00 0.00 O ATOM 784 CB GLU A 52 -1.619 -2.529 8.930 1.00 0.00 C ATOM 785 CG GLU A 52 -2.465 -3.736 9.297 1.00 0.00 C ATOM 786 CD GLU A 52 -2.047 -4.360 10.617 1.00 0.00 C ATOM 787 OE1 GLU A 52 -1.438 -3.647 11.442 1.00 0.00 O ATOM 788 OE2 GLU A 52 -2.333 -5.556 10.824 1.00 0.00 O ATOM 0 H GLU A 52 -2.218 -3.242 6.647 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.267 -1.288 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.674 -2.872 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.380 -1.974 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.512 -3.438 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.390 -4.482 8.506 1.00 0.00 H new ATOM 795 N LYS A 53 -0.537 -0.389 6.770 1.00 0.00 N ATOM 796 CA LYS A 53 0.339 0.738 6.480 1.00 0.00 C ATOM 797 C LYS A 53 -0.416 1.840 5.742 1.00 0.00 C ATOM 798 O LYS A 53 -0.414 2.996 6.164 1.00 0.00 O ATOM 799 CB LYS A 53 1.536 0.278 5.644 1.00 0.00 C ATOM 800 CG LYS A 53 2.728 -0.160 6.478 1.00 0.00 C ATOM 801 CD LYS A 53 2.661 -1.642 6.806 1.00 0.00 C ATOM 802 CE LYS A 53 3.459 -1.971 8.060 1.00 0.00 C ATOM 803 NZ LYS A 53 2.844 -1.381 9.280 1.00 0.00 N ATOM 0 H LYS A 53 -0.388 -1.202 6.173 1.00 0.00 H new ATOM 0 HA LYS A 53 0.697 1.140 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.226 -0.549 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.843 1.091 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.650 0.053 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.759 0.418 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.621 -1.938 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.046 -2.220 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.526 -3.053 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.477 -1.598 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.166 -1.905 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.128 -0.384 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.808 -1.441 9.210 1.00 0.00 H new ATOM 817 N MET A 54 -1.061 1.472 4.640 1.00 0.00 N ATOM 818 CA MET A 54 -1.823 2.429 3.847 1.00 0.00 C ATOM 819 C MET A 54 -2.910 3.091 4.688 1.00 0.00 C ATOM 820 O MET A 54 -3.034 4.316 4.705 1.00 0.00 O ATOM 821 CB MET A 54 -2.452 1.735 2.636 1.00 0.00 C ATOM 822 CG MET A 54 -3.216 2.679 1.723 1.00 0.00 C ATOM 823 SD MET A 54 -2.127 3.737 0.750 1.00 0.00 S ATOM 824 CE MET A 54 -1.657 2.618 -0.568 1.00 0.00 C ATOM 0 H MET A 54 -1.071 0.519 4.276 1.00 0.00 H new ATOM 0 HA MET A 54 -1.137 3.201 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.667 1.243 2.061 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.128 0.955 2.985 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.847 2.097 1.051 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.879 3.301 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.146 3.175 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.990 1.851 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.549 2.146 -0.980 1.00 0.00 H new ATOM 834 N GLN A 55 -3.692 2.274 5.386 1.00 0.00 N ATOM 835 CA GLN A 55 -4.768 2.782 6.228 1.00 0.00 C ATOM 836 C GLN A 55 -4.227 3.744 7.281 1.00 0.00 C ATOM 837 O GLN A 55 -4.930 4.648 7.728 1.00 0.00 O ATOM 838 CB GLN A 55 -5.503 1.625 6.906 1.00 0.00 C ATOM 839 CG GLN A 55 -6.508 0.928 6.001 1.00 0.00 C ATOM 840 CD GLN A 55 -7.551 0.148 6.777 1.00 0.00 C ATOM 841 OE1 GLN A 55 -8.713 0.548 6.853 1.00 0.00 O ATOM 842 NE2 GLN A 55 -7.140 -0.972 7.361 1.00 0.00 N ATOM 0 H GLN A 55 -3.601 1.258 5.385 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.468 3.324 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.772 0.895 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.021 2.002 7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.005 1.671 5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.979 0.251 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.167 -1.266 7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.797 -1.538 7.898 1.00 0.00 H new ATOM 851 N ALA A 56 -2.974 3.538 7.674 1.00 0.00 N ATOM 852 CA ALA A 56 -2.339 4.388 8.675 1.00 0.00 C ATOM 853 C ALA A 56 -1.877 5.705 8.062 1.00 0.00 C ATOM 854 O ALA A 56 -1.795 6.724 8.748 1.00 0.00 O ATOM 855 CB ALA A 56 -1.165 3.660 9.314 1.00 0.00 C ATOM 0 H ALA A 56 -2.379 2.791 7.315 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.076 4.615 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.699 4.305 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.520 2.748 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.434 3.405 8.547 1.00 0.00 H new ATOM 861 N GLY A 57 -1.580 5.679 6.767 1.00 0.00 N ATOM 862 CA GLY A 57 -1.130 6.877 6.085 1.00 0.00 C ATOM 863 C GLY A 57 0.372 6.896 5.871 1.00 0.00 C ATOM 864 O GLY A 57 0.944 7.933 5.543 1.00 0.00 O ATOM 0 H GLY A 57 -1.643 4.849 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.632 6.952 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.422 7.752 6.665 1.00 0.00 H new ATOM 868 N GLN A 58 1.007 5.745 6.060 1.00 0.00 N ATOM 869 CA GLN A 58 2.451 5.634 5.889 1.00 0.00 C ATOM 870 C GLN A 58 2.822 5.599 4.411 1.00 0.00 C ATOM 871 O GLN A 58 3.723 6.314 3.970 1.00 0.00 O ATOM 872 CB GLN A 58 2.973 4.377 6.589 1.00 0.00 C ATOM 873 CG GLN A 58 2.595 4.297 8.058 1.00 0.00 C ATOM 874 CD GLN A 58 3.211 5.412 8.882 1.00 0.00 C ATOM 875 OE1 GLN A 58 4.398 5.373 9.210 1.00 0.00 O ATOM 876 NE2 GLN A 58 2.407 6.412 9.219 1.00 0.00 N ATOM 0 H GLN A 58 0.546 4.877 6.331 1.00 0.00 H new ATOM 0 HA GLN A 58 2.914 6.511 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.586 3.498 6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.059 4.346 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.510 4.338 8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.914 3.335 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.430 6.402 8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.766 7.191 9.772 1.00 0.00 H new ATOM 885 N ILE A 59 2.125 4.762 3.650 1.00 0.00 N ATOM 886 CA ILE A 59 2.381 4.637 2.220 1.00 0.00 C ATOM 887 C ILE A 59 1.990 5.908 1.477 1.00 0.00 C ATOM 888 O ILE A 59 0.829 6.097 1.115 1.00 0.00 O ATOM 889 CB ILE A 59 1.615 3.445 1.614 1.00 0.00 C ATOM 890 CG1 ILE A 59 2.072 2.135 2.260 1.00 0.00 C ATOM 891 CG2 ILE A 59 1.817 3.398 0.108 1.00 0.00 C ATOM 892 CD1 ILE A 59 1.350 0.915 1.730 1.00 0.00 C ATOM 0 H ILE A 59 1.379 4.161 3.999 1.00 0.00 H new ATOM 0 HA ILE A 59 3.452 4.468 2.105 1.00 0.00 H new ATOM 0 HB ILE A 59 0.552 3.575 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.143 2.013 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.919 2.198 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.270 2.551 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.447 4.322 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.879 3.288 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.725 0.023 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.281 1.015 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.523 0.827 0.658 1.00 0.00 H new ATOM 904 N SER A 60 2.969 6.778 1.250 1.00 0.00 N ATOM 905 CA SER A 60 2.728 8.035 0.551 1.00 0.00 C ATOM 906 C SER A 60 2.608 7.805 -0.953 1.00 0.00 C ATOM 907 O SER A 60 3.046 6.780 -1.474 1.00 0.00 O ATOM 908 CB SER A 60 3.856 9.028 0.838 1.00 0.00 C ATOM 909 OG SER A 60 3.898 9.368 2.213 1.00 0.00 O ATOM 0 H SER A 60 3.936 6.635 1.540 1.00 0.00 H new ATOM 0 HA SER A 60 1.788 8.450 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.810 8.596 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.712 9.929 0.242 1.00 0.00 H new ATOM 0 HG SER A 60 4.628 10.002 2.371 1.00 0.00 H new ATOM 915 N VAL A 61 2.011 8.769 -1.647 1.00 0.00 N ATOM 916 CA VAL A 61 1.834 8.674 -3.090 1.00 0.00 C ATOM 917 C VAL A 61 2.627 9.757 -3.815 1.00 0.00 C ATOM 918 O VAL A 61 2.958 10.788 -3.233 1.00 0.00 O ATOM 919 CB VAL A 61 0.349 8.794 -3.482 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.190 10.169 -3.124 1.00 0.00 C ATOM 921 CG2 VAL A 61 0.165 8.509 -4.966 1.00 0.00 C ATOM 0 H VAL A 61 1.642 9.625 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 61 2.205 7.694 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.218 8.052 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.240 10.234 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.095 10.329 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.378 10.932 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.890 8.598 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.744 9.226 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.509 7.499 -5.188 1.00 0.00 H new ATOM 931 N GLN A 62 2.926 9.513 -5.086 1.00 0.00 N ATOM 932 CA GLN A 62 3.681 10.468 -5.890 1.00 0.00 C ATOM 933 C GLN A 62 3.698 10.051 -7.356 1.00 0.00 C ATOM 934 O GLN A 62 3.303 8.937 -7.700 1.00 0.00 O ATOM 935 CB GLN A 62 5.112 10.590 -5.364 1.00 0.00 C ATOM 936 CG GLN A 62 5.854 9.263 -5.307 1.00 0.00 C ATOM 937 CD GLN A 62 6.584 8.948 -6.599 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.576 9.742 -7.539 1.00 0.00 O ATOM 939 NE2 GLN A 62 7.220 7.784 -6.650 1.00 0.00 N ATOM 0 H GLN A 62 2.658 8.663 -5.582 1.00 0.00 H new ATOM 0 HA GLN A 62 3.190 11.438 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.667 11.280 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.087 11.026 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.570 9.286 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.146 8.464 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.200 7.156 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.729 7.517 -7.493 1.00 0.00 H new ATOM 948 N SER A 63 4.160 10.954 -8.217 1.00 0.00 N ATOM 949 CA SER A 63 4.225 10.680 -9.648 1.00 0.00 C ATOM 950 C SER A 63 5.353 11.473 -10.301 1.00 0.00 C ATOM 951 O SER A 63 5.418 12.696 -10.178 1.00 0.00 O ATOM 952 CB SER A 63 2.891 11.024 -10.315 1.00 0.00 C ATOM 953 OG SER A 63 2.599 12.405 -10.190 1.00 0.00 O ATOM 0 H SER A 63 4.494 11.880 -7.949 1.00 0.00 H new ATOM 0 HA SER A 63 4.426 9.617 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.927 10.751 -11.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.092 10.438 -9.861 1.00 0.00 H new ATOM 0 HG SER A 63 3.429 12.902 -10.035 1.00 0.00 H new ATOM 959 N SER A 64 6.240 10.767 -10.996 1.00 0.00 N ATOM 960 CA SER A 64 7.367 11.404 -11.665 1.00 0.00 C ATOM 961 C SER A 64 7.093 11.563 -13.157 1.00 0.00 C ATOM 962 O SER A 64 7.121 10.591 -13.911 1.00 0.00 O ATOM 963 CB SER A 64 8.642 10.584 -11.453 1.00 0.00 C ATOM 964 OG SER A 64 9.771 11.248 -11.996 1.00 0.00 O ATOM 0 H SER A 64 6.199 9.754 -11.110 1.00 0.00 H new ATOM 0 HA SER A 64 7.504 12.394 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.795 10.412 -10.388 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.531 9.606 -11.921 1.00 0.00 H new ATOM 0 HG SER A 64 10.573 10.705 -11.847 1.00 0.00 H new TER 970 SER A 64