USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 774 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: F 23 ASN : amide:sc= 0.471 K(o=-0.54,f=-1.8) USER MOD Set 1.2: F 26 GLN : amide:sc= -1.09 K(o=-0.54,f=-4.1!) USER MOD Set 1.3: F 55 GLN : amide:sc= 0.0809 K(o=-0.54,f=-5.1!) USER MOD Set 2.1: E 39 SER OG : rot 180:sc= 0.183 USER MOD Set 2.2: E 40 GLN : amide:sc= 0.0256 K(o=0.2,f=0.78) USER MOD Set 2.3: E 43 ASN : amide:sc= -0.0106 X(o=0.2,f=0.24) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -155:sc= -0.188 (180deg=-1.54!) USER MOD Single : E 18 TYR OH : rot 145:sc= 1.22 USER MOD Single : E 21 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.2!) USER MOD Single : E 23 ASN : amide:sc= -0.67 K(o=-0.67,f=-9.5!) USER MOD Single : E 26 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.2) USER MOD Single : E 32 HIS : no HD1:sc= -1.76 K(o=-1,f=-6.4!) USER MOD Single : E 33 SER OG : rot 180:sc= 0 USER MOD Single : E 35 HIS : no HE2:sc= -0.49 K(o=-0.49,f=-3.1!) USER MOD Single : E 41 SER OG : rot -93:sc= 0.543 USER MOD Single : E 49 LYS NZ :NH3+ -113:sc= 0.795 (180deg=-0.841) USER MOD Single : E 50 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.274) USER MOD Single : E 52 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.91) USER MOD Single : E 55 GLN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : F 18 TYR OH : rot -67:sc= 0.191 USER MOD Single : F 21 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.39) USER MOD Single : F 32 HIS : no HE2:sc= 0.374 K(o=0.37,f=-3.5!) USER MOD Single : F 33 SER OG : rot 72:sc= 1.19 USER MOD Single : F 35 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1) USER MOD Single : F 39 SER OG : rot -68:sc= 1.16 USER MOD Single : F 40 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.12) USER MOD Single : F 41 SER OG : rot -70:sc= 0.999 USER MOD Single : F 43 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : F 49 LYS NZ :NH3+ -177:sc= 1.02 (180deg=1.02) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= 1.21 K(o=1.2,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.369 -7.974 -2.647 1.00 0.00 N ATOM 24 CA LEU C 17 122.812 -6.615 -2.707 1.00 0.00 C ATOM 25 C LEU C 17 121.827 -6.422 -1.558 1.00 0.00 C ATOM 26 O LEU C 17 121.172 -7.377 -1.129 1.00 0.00 O ATOM 27 CB LEU C 17 122.089 -6.380 -4.050 1.00 0.00 C ATOM 28 CG LEU C 17 122.848 -5.332 -4.898 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.605 -6.030 -6.030 1.00 0.00 C ATOM 30 CD2 LEU C 17 121.854 -4.328 -5.493 1.00 0.00 C ATOM 0 HA LEU C 17 123.628 -5.898 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.017 -7.318 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.070 -6.039 -3.866 1.00 0.00 H new ATOM 0 HG LEU C 17 123.557 -4.805 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.138 -5.287 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.319 -6.737 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU C 17 122.898 -6.564 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.393 -3.592 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.140 -4.855 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.321 -3.822 -4.688 1.00 0.00 H new ATOM 42 N VAL C 18 121.734 -5.186 -1.062 1.00 0.00 N ATOM 43 CA VAL C 18 120.830 -4.880 0.053 1.00 0.00 C ATOM 44 C VAL C 18 120.091 -3.574 -0.197 1.00 0.00 C ATOM 45 O VAL C 18 120.709 -2.586 -0.576 1.00 0.00 O ATOM 46 CB VAL C 18 121.627 -4.765 1.367 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.651 -4.659 2.552 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.529 -6.000 1.543 1.00 0.00 C ATOM 0 H VAL C 18 122.266 -4.388 -1.409 1.00 0.00 H new ATOM 0 HA VAL C 18 120.106 -5.691 0.133 1.00 0.00 H new ATOM 0 HB VAL C 18 122.252 -3.872 1.332 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.215 -4.578 3.481 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.024 -3.776 2.429 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.022 -5.548 2.586 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.089 -5.912 2.474 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.913 -6.899 1.574 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.224 -6.065 0.706 1.00 0.00 H new ATOM 58 N PHE C 19 118.778 -3.569 0.056 1.00 0.00 N ATOM 59 CA PHE C 19 117.967 -2.365 -0.105 1.00 0.00 C ATOM 60 C PHE C 19 117.695 -1.783 1.270 1.00 0.00 C ATOM 61 O PHE C 19 117.188 -2.477 2.155 1.00 0.00 O ATOM 62 CB PHE C 19 116.626 -2.680 -0.800 1.00 0.00 C ATOM 63 CG PHE C 19 116.616 -2.090 -2.196 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.478 -2.614 -3.168 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.754 -1.018 -2.523 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.486 -2.082 -4.459 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.772 -0.491 -3.821 1.00 0.00 C ATOM 68 CZ PHE C 19 116.637 -1.024 -4.786 1.00 0.00 C ATOM 0 H PHE C 19 118.257 -4.387 0.373 1.00 0.00 H new ATOM 0 HA PHE C 19 118.510 -1.655 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.478 -3.759 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.800 -2.272 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.138 -3.432 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.087 -0.609 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.151 -2.490 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.117 0.328 -4.079 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.647 -0.615 -5.785 1.00 0.00 H new ATOM 78 N PHE C 20 118.043 -0.519 1.441 1.00 0.00 N ATOM 79 CA PHE C 20 117.843 0.161 2.720 1.00 0.00 C ATOM 80 C PHE C 20 117.265 1.558 2.527 1.00 0.00 C ATOM 81 O PHE C 20 117.402 2.160 1.459 1.00 0.00 O ATOM 82 CB PHE C 20 119.170 0.251 3.477 1.00 0.00 C ATOM 83 CG PHE C 20 120.166 1.064 2.697 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.118 2.462 2.741 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.135 0.418 1.931 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.040 3.210 2.016 1.00 0.00 C ATOM 87 CE2 PHE C 20 122.057 1.164 1.209 1.00 0.00 C ATOM 88 CZ PHE C 20 122.011 2.565 1.249 1.00 0.00 C ATOM 0 H PHE C 20 118.465 0.060 0.715 1.00 0.00 H new ATOM 0 HA PHE C 20 117.128 -0.423 3.300 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.008 0.704 4.455 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.565 -0.750 3.651 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.367 2.959 3.337 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.169 -0.661 1.899 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.004 4.289 2.047 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.810 0.665 0.617 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.727 3.145 0.686 1.00 0.00 H new ATOM 98 N ALA C 21 116.638 2.071 3.583 1.00 0.00 N ATOM 99 CA ALA C 21 116.060 3.407 3.552 1.00 0.00 C ATOM 100 C ALA C 21 116.755 4.286 4.586 1.00 0.00 C ATOM 101 O ALA C 21 116.929 3.877 5.738 1.00 0.00 O ATOM 102 CB ALA C 21 114.567 3.329 3.837 1.00 0.00 C ATOM 0 H ALA C 21 116.519 1.580 4.469 1.00 0.00 H new ATOM 0 HA ALA C 21 116.203 3.844 2.564 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.139 4.331 3.813 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.084 2.710 3.081 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.407 2.890 4.822 1.00 0.00 H new ATOM 108 N GLU C 22 117.162 5.484 4.160 1.00 0.00 N ATOM 109 CA GLU C 22 117.851 6.423 5.026 1.00 0.00 C ATOM 110 C GLU C 22 116.900 7.535 5.462 1.00 0.00 C ATOM 111 O GLU C 22 116.233 8.136 4.627 1.00 0.00 O ATOM 112 CB GLU C 22 119.035 7.012 4.242 1.00 0.00 C ATOM 113 CG GLU C 22 119.753 8.065 5.083 1.00 0.00 C ATOM 114 CD GLU C 22 120.907 8.685 4.290 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.856 7.973 4.006 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.823 9.863 3.976 1.00 0.00 O ATOM 0 H GLU C 22 117.021 5.822 3.208 1.00 0.00 H new ATOM 0 HA GLU C 22 118.208 5.916 5.922 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.730 6.218 3.969 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.680 7.458 3.313 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.050 8.842 5.382 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.134 7.611 5.998 1.00 0.00 H new ATOM 123 N ASP C 23 116.872 7.821 6.768 1.00 0.00 N ATOM 124 CA ASP C 23 116.029 8.886 7.301 1.00 0.00 C ATOM 125 C ASP C 23 116.719 10.216 7.033 1.00 0.00 C ATOM 126 O ASP C 23 117.829 10.454 7.511 1.00 0.00 O ATOM 127 CB ASP C 23 115.807 8.692 8.806 1.00 0.00 C ATOM 128 CG ASP C 23 114.844 9.757 9.335 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.645 9.553 9.220 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.316 10.761 9.844 1.00 0.00 O ATOM 0 H ASP C 23 117.424 7.329 7.471 1.00 0.00 H new ATOM 0 HA ASP C 23 115.053 8.867 6.816 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.403 7.698 8.997 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.759 8.756 9.334 1.00 0.00 H new ATOM 135 N VAL C 24 116.084 11.047 6.215 1.00 0.00 N ATOM 136 CA VAL C 24 116.670 12.337 5.822 1.00 0.00 C ATOM 137 C VAL C 24 115.775 13.524 6.176 1.00 0.00 C ATOM 138 O VAL C 24 116.242 14.667 6.179 1.00 0.00 O ATOM 139 CB VAL C 24 116.942 12.301 4.304 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.744 11.029 3.983 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.607 12.304 3.519 1.00 0.00 C ATOM 0 H VAL C 24 115.167 10.858 5.809 1.00 0.00 H new ATOM 0 HA VAL C 24 117.596 12.479 6.378 1.00 0.00 H new ATOM 0 HB VAL C 24 117.510 13.183 4.009 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.946 10.987 2.913 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.687 11.046 4.530 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.169 10.152 4.279 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.814 12.278 2.449 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.020 11.428 3.796 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.046 13.207 3.759 1.00 0.00 H new ATOM 183 N LYS C 28 111.160 14.934 2.706 1.00 0.00 N ATOM 184 CA LYS C 28 111.426 13.859 1.751 1.00 0.00 C ATOM 185 C LYS C 28 111.251 12.499 2.429 1.00 0.00 C ATOM 186 O LYS C 28 111.377 11.454 1.782 1.00 0.00 O ATOM 187 CB LYS C 28 112.863 13.972 1.227 1.00 0.00 C ATOM 188 CG LYS C 28 113.043 15.279 0.438 1.00 0.00 C ATOM 189 CD LYS C 28 114.308 15.202 -0.430 1.00 0.00 C ATOM 190 CE LYS C 28 115.573 15.279 0.443 1.00 0.00 C ATOM 191 NZ LYS C 28 115.959 16.708 0.641 1.00 0.00 N ATOM 0 HA LYS C 28 110.723 13.947 0.923 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.564 13.943 2.061 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.092 13.119 0.588 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.171 15.456 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.115 16.121 1.126 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.309 14.272 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.309 16.018 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.391 14.804 1.407 1.00 0.00 H new ATOM 0 HE3 LYS C 28 116.389 14.734 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 116.814 16.758 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.149 17.147 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 115.183 17.215 1.112 1.00 0.00 H new ATOM 205 N GLY C 29 110.989 12.524 3.741 1.00 0.00 N ATOM 206 CA GLY C 29 110.833 11.294 4.508 1.00 0.00 C ATOM 207 C GLY C 29 112.172 10.578 4.558 1.00 0.00 C ATOM 208 O GLY C 29 113.090 11.026 5.251 1.00 0.00 O ATOM 0 H GLY C 29 110.882 13.379 4.286 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.487 11.519 5.517 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.080 10.655 4.048 1.00 0.00 H new ATOM 212 N ALA C 30 112.285 9.487 3.797 1.00 0.00 N ATOM 213 CA ALA C 30 113.527 8.723 3.721 1.00 0.00 C ATOM 214 C ALA C 30 113.951 8.550 2.262 1.00 0.00 C ATOM 215 O ALA C 30 113.153 8.772 1.346 1.00 0.00 O ATOM 216 CB ALA C 30 113.357 7.356 4.383 1.00 0.00 C ATOM 0 H ALA C 30 111.528 9.114 3.224 1.00 0.00 H new ATOM 0 HA ALA C 30 114.304 9.272 4.253 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.293 6.801 4.317 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.088 7.490 5.431 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.569 6.801 3.874 1.00 0.00 H new ATOM 222 N ILE C 31 115.212 8.154 2.061 1.00 0.00 N ATOM 223 CA ILE C 31 115.758 7.952 0.715 1.00 0.00 C ATOM 224 C ILE C 31 116.082 6.484 0.496 1.00 0.00 C ATOM 225 O ILE C 31 116.702 5.846 1.350 1.00 0.00 O ATOM 226 CB ILE C 31 117.047 8.775 0.508 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.776 10.263 0.787 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.532 8.598 -0.938 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.046 11.096 0.539 1.00 0.00 C ATOM 0 H ILE C 31 115.874 7.967 2.814 1.00 0.00 H new ATOM 0 HA ILE C 31 115.003 8.282 0.001 1.00 0.00 H new ATOM 0 HB ILE C 31 117.814 8.423 1.198 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.969 10.619 0.146 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.445 10.392 1.817 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.443 9.177 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.737 7.544 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.761 8.947 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.837 12.147 0.741 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.842 10.751 1.199 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.359 10.981 -0.499 1.00 0.00 H new ATOM 241 N ILE C 32 115.685 5.969 -0.667 1.00 0.00 N ATOM 242 CA ILE C 32 115.959 4.584 -1.011 1.00 0.00 C ATOM 243 C ILE C 32 117.360 4.470 -1.596 1.00 0.00 C ATOM 244 O ILE C 32 117.645 4.988 -2.682 1.00 0.00 O ATOM 245 CB ILE C 32 114.904 4.050 -2.009 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.682 3.520 -1.234 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.489 2.927 -2.889 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.016 2.187 -0.539 1.00 0.00 C ATOM 0 H ILE C 32 115.176 6.491 -1.380 1.00 0.00 H new ATOM 0 HA ILE C 32 115.902 3.976 -0.108 1.00 0.00 H new ATOM 0 HB ILE C 32 114.601 4.870 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.369 4.255 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.844 3.380 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.725 2.571 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.338 3.312 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.818 2.103 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.140 1.830 0.003 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.306 1.449 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.839 2.337 0.160 1.00 0.00 H new ATOM 260 N GLY C 33 118.204 3.753 -0.871 1.00 0.00 N ATOM 261 CA GLY C 33 119.572 3.503 -1.290 1.00 0.00 C ATOM 262 C GLY C 33 119.892 2.043 -1.049 1.00 0.00 C ATOM 263 O GLY C 33 119.384 1.444 -0.103 1.00 0.00 O ATOM 0 H GLY C 33 117.959 3.329 0.024 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.695 3.748 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.260 4.138 -0.733 1.00 0.00 H new ATOM 267 N LEU C 34 120.715 1.471 -1.910 1.00 0.00 N ATOM 268 CA LEU C 34 121.083 0.063 -1.780 1.00 0.00 C ATOM 269 C LEU C 34 122.585 -0.108 -1.736 1.00 0.00 C ATOM 270 O LEU C 34 123.337 0.757 -2.178 1.00 0.00 O ATOM 271 CB LEU C 34 120.516 -0.762 -2.938 1.00 0.00 C ATOM 272 CG LEU C 34 120.737 -0.027 -4.262 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.134 -1.049 -5.337 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.451 0.726 -4.660 1.00 0.00 C ATOM 0 H LEU C 34 121.141 1.951 -2.703 1.00 0.00 H new ATOM 0 HA LEU C 34 120.657 -0.295 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.999 -1.739 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.451 -0.937 -2.783 1.00 0.00 H new ATOM 0 HG LEU C 34 121.538 0.705 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.294 -0.536 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.053 -1.554 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.337 -1.784 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.612 1.248 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.633 0.014 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.197 1.448 -3.884 1.00 0.00 H new ATOM 286 N MET C 35 122.997 -1.243 -1.198 1.00 0.00 N ATOM 287 CA MET C 35 124.417 -1.580 -1.078 1.00 0.00 C ATOM 288 C MET C 35 124.778 -2.662 -2.095 1.00 0.00 C ATOM 289 O MET C 35 123.949 -3.517 -2.405 1.00 0.00 O ATOM 290 CB MET C 35 124.729 -2.034 0.364 1.00 0.00 C ATOM 291 CG MET C 35 124.804 -3.565 0.461 1.00 0.00 C ATOM 292 SD MET C 35 124.821 -4.066 2.192 1.00 0.00 S ATOM 293 CE MET C 35 126.333 -3.194 2.635 1.00 0.00 C ATOM 0 H MET C 35 122.367 -1.957 -0.832 1.00 0.00 H new ATOM 0 HA MET C 35 125.023 -0.699 -1.291 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.675 -1.600 0.688 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.959 -1.662 1.040 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.951 -4.013 -0.049 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.701 -3.927 -0.041 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.794 -3.679 3.495 1.00 0.00 H new ATOM 0 HE2 MET C 35 127.025 -3.214 1.793 1.00 0.00 H new ATOM 0 HE3 MET C 35 126.097 -2.160 2.886 1.00 0.00 H new ATOM 303 N VAL C 36 126.009 -2.604 -2.616 1.00 0.00 N ATOM 304 CA VAL C 36 126.466 -3.573 -3.616 1.00 0.00 C ATOM 305 C VAL C 36 127.786 -4.233 -3.192 1.00 0.00 C ATOM 306 O VAL C 36 128.794 -3.550 -3.004 1.00 0.00 O ATOM 307 CB VAL C 36 126.683 -2.856 -4.966 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.906 -3.888 -6.079 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.472 -1.969 -5.318 1.00 0.00 C ATOM 0 H VAL C 36 126.702 -1.900 -2.363 1.00 0.00 H new ATOM 0 HA VAL C 36 125.702 -4.345 -3.709 1.00 0.00 H new ATOM 0 HB VAL C 36 127.565 -2.221 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.058 -3.373 -7.028 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.785 -4.489 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.033 -4.536 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.649 -1.474 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.577 -2.587 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.333 -1.218 -4.541 1.00 0.00 H new ATOM 319 N GLY C 37 127.777 -5.568 -3.093 1.00 0.00 N ATOM 320 CA GLY C 37 128.984 -6.331 -2.747 1.00 0.00 C ATOM 321 C GLY C 37 129.125 -6.584 -1.252 1.00 0.00 C ATOM 322 O GLY C 37 129.183 -5.646 -0.456 1.00 0.00 O ATOM 0 H GLY C 37 126.948 -6.142 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.964 -7.287 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.862 -5.791 -3.102 1.00 0.00 H new ATOM 367 N GLY E 14 131.615 -2.461 0.169 1.00 0.00 N ATOM 368 CA GLY E 14 130.811 -2.515 -1.053 1.00 0.00 C ATOM 369 C GLY E 14 130.499 -1.121 -1.594 1.00 0.00 C ATOM 370 O GLY E 14 130.771 -0.109 -0.942 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.343 -3.088 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.879 -3.043 -0.851 1.00 0.00 H new ATOM 374 N GLU E 15 129.896 -1.095 -2.786 1.00 0.00 N ATOM 375 CA GLU E 15 129.498 0.152 -3.441 1.00 0.00 C ATOM 376 C GLU E 15 128.046 0.442 -3.093 1.00 0.00 C ATOM 377 O GLU E 15 127.171 -0.376 -3.368 1.00 0.00 O ATOM 378 CB GLU E 15 129.666 0.014 -4.969 1.00 0.00 C ATOM 379 CG GLU E 15 129.115 1.257 -5.692 1.00 0.00 C ATOM 380 CD GLU E 15 129.257 1.097 -7.209 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.384 1.056 -7.678 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.238 1.018 -7.880 1.00 0.00 O ATOM 0 H GLU E 15 129.671 -1.934 -3.321 1.00 0.00 H new ATOM 0 HA GLU E 15 130.126 0.974 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.720 -0.118 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.144 -0.877 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.067 1.403 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.652 2.146 -5.361 1.00 0.00 H new ATOM 389 N ILE E 16 127.795 1.598 -2.474 1.00 0.00 N ATOM 390 CA ILE E 16 126.438 1.962 -2.076 1.00 0.00 C ATOM 391 C ILE E 16 125.827 2.969 -3.056 1.00 0.00 C ATOM 392 O ILE E 16 126.416 4.008 -3.361 1.00 0.00 O ATOM 393 CB ILE E 16 126.449 2.499 -0.634 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.164 1.453 0.282 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.003 2.745 -0.180 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.502 1.331 1.668 1.00 0.00 C ATOM 0 H ILE E 16 128.507 2.290 -2.240 1.00 0.00 H new ATOM 0 HA ILE E 16 125.807 1.074 -2.105 1.00 0.00 H new ATOM 0 HB ILE E 16 126.990 3.443 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.155 0.479 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.209 1.738 0.406 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.002 3.126 0.841 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.534 3.475 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.445 1.809 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.038 0.592 2.263 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.535 2.296 2.173 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.464 1.019 1.549 1.00 0.00 H new ATOM 408 N VAL E 17 124.640 2.604 -3.554 1.00 0.00 N ATOM 409 CA VAL E 17 123.885 3.392 -4.532 1.00 0.00 C ATOM 410 C VAL E 17 122.641 4.041 -3.909 1.00 0.00 C ATOM 411 O VAL E 17 121.970 3.442 -3.075 1.00 0.00 O ATOM 412 CB VAL E 17 123.453 2.452 -5.679 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.400 3.130 -6.581 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.681 2.079 -6.518 1.00 0.00 C ATOM 0 H VAL E 17 124.171 1.739 -3.284 1.00 0.00 H new ATOM 0 HA VAL E 17 124.523 4.196 -4.899 1.00 0.00 H new ATOM 0 HB VAL E 17 123.009 1.556 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.112 2.448 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.522 3.384 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.821 4.038 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.380 1.415 -7.329 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.125 2.983 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.412 1.573 -5.888 1.00 0.00 H new ATOM 424 N TYR E 18 122.331 5.258 -4.371 1.00 0.00 N ATOM 425 CA TYR E 18 121.145 6.001 -3.927 1.00 0.00 C ATOM 426 C TYR E 18 120.308 6.365 -5.155 1.00 0.00 C ATOM 427 O TYR E 18 120.836 6.941 -6.110 1.00 0.00 O ATOM 428 CB TYR E 18 121.562 7.276 -3.173 1.00 0.00 C ATOM 429 CG TYR E 18 121.873 6.939 -1.739 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.040 6.245 -1.419 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.991 7.332 -0.727 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.326 5.943 -0.090 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.272 7.032 0.602 1.00 0.00 C ATOM 434 CZ TYR E 18 122.445 6.336 0.927 1.00 0.00 C ATOM 435 OH TYR E 18 122.733 6.036 2.243 1.00 0.00 O ATOM 0 H TYR E 18 122.894 5.755 -5.062 1.00 0.00 H new ATOM 0 HA TYR E 18 120.558 5.382 -3.248 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.435 7.723 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.762 8.015 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.721 5.942 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.089 7.870 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.229 5.405 0.158 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.588 7.334 1.381 1.00 0.00 H new ATOM 0 HH TYR E 18 122.420 6.764 2.820 1.00 0.00 H new ATOM 445 N LEU E 19 119.010 6.015 -5.133 1.00 0.00 N ATOM 446 CA LEU E 19 118.120 6.303 -6.269 1.00 0.00 C ATOM 447 C LEU E 19 116.900 7.150 -5.842 1.00 0.00 C ATOM 448 O LEU E 19 115.754 6.796 -6.145 1.00 0.00 O ATOM 449 CB LEU E 19 117.641 4.977 -6.908 1.00 0.00 C ATOM 450 CG LEU E 19 118.816 4.229 -7.574 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.487 2.733 -7.675 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.077 4.784 -8.984 1.00 0.00 C ATOM 0 H LEU E 19 118.559 5.539 -4.352 1.00 0.00 H new ATOM 0 HA LEU E 19 118.687 6.882 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.188 4.344 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.870 5.184 -7.650 1.00 0.00 H new ATOM 0 HG LEU E 19 119.708 4.372 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.319 2.209 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.321 2.329 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.587 2.598 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU E 19 119.908 4.245 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.184 4.657 -9.596 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.324 5.844 -8.918 1.00 0.00 H new ATOM 464 N PRO E 20 117.113 8.281 -5.184 1.00 0.00 N ATOM 465 CA PRO E 20 115.991 9.185 -4.770 1.00 0.00 C ATOM 466 C PRO E 20 115.277 9.744 -5.994 1.00 0.00 C ATOM 467 O PRO E 20 114.100 10.109 -5.938 1.00 0.00 O ATOM 468 CB PRO E 20 116.680 10.317 -3.990 1.00 0.00 C ATOM 469 CG PRO E 20 118.116 10.272 -4.396 1.00 0.00 C ATOM 470 CD PRO E 20 118.420 8.821 -4.768 1.00 0.00 C ATOM 0 HA PRO E 20 115.237 8.667 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.236 11.283 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.572 10.173 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.301 10.935 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.759 10.606 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.152 8.760 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.830 8.269 -3.922 1.00 0.00 H new ATOM 478 N ASN E 21 116.029 9.816 -7.090 1.00 0.00 N ATOM 479 CA ASN E 21 115.531 10.339 -8.352 1.00 0.00 C ATOM 480 C ASN E 21 114.454 9.425 -8.940 1.00 0.00 C ATOM 481 O ASN E 21 113.591 9.886 -9.694 1.00 0.00 O ATOM 482 CB ASN E 21 116.702 10.482 -9.340 1.00 0.00 C ATOM 483 CG ASN E 21 117.807 11.380 -8.756 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.618 12.028 -7.725 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.955 11.469 -9.372 1.00 0.00 N ATOM 0 H ASN E 21 117.002 9.512 -7.124 1.00 0.00 H new ATOM 0 HA ASN E 21 115.080 11.315 -8.173 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.111 9.498 -9.570 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.342 10.905 -10.278 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.688 12.072 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.118 10.935 -10.226 1.00 0.00 H new ATOM 492 N LEU E 22 114.512 8.129 -8.602 1.00 0.00 N ATOM 493 CA LEU E 22 113.545 7.163 -9.110 1.00 0.00 C ATOM 494 C LEU E 22 112.276 7.168 -8.267 1.00 0.00 C ATOM 495 O LEU E 22 112.307 7.500 -7.079 1.00 0.00 O ATOM 496 CB LEU E 22 114.166 5.764 -9.105 1.00 0.00 C ATOM 497 CG LEU E 22 115.066 5.576 -10.336 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.249 6.557 -10.300 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.585 4.133 -10.358 1.00 0.00 C ATOM 0 H LEU E 22 115.218 7.733 -7.981 1.00 0.00 H new ATOM 0 HA LEU E 22 113.279 7.443 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.748 5.620 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.379 5.009 -9.102 1.00 0.00 H new ATOM 0 HG LEU E 22 114.486 5.776 -11.237 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.873 6.407 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.873 7.580 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.841 6.381 -9.402 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.225 3.990 -11.229 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.157 3.938 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.742 3.444 -10.410 1.00 0.00 H new ATOM 511 N ASN E 23 111.165 6.785 -8.899 1.00 0.00 N ATOM 512 CA ASN E 23 109.867 6.728 -8.218 1.00 0.00 C ATOM 513 C ASN E 23 109.510 5.263 -7.907 1.00 0.00 C ATOM 514 O ASN E 23 110.185 4.353 -8.391 1.00 0.00 O ATOM 515 CB ASN E 23 108.795 7.414 -9.092 1.00 0.00 C ATOM 516 CG ASN E 23 108.312 6.501 -10.217 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.097 5.754 -10.798 1.00 0.00 O ATOM 518 ND2 ASN E 23 107.055 6.526 -10.564 1.00 0.00 N ATOM 0 H ASN E 23 111.136 6.510 -9.881 1.00 0.00 H new ATOM 0 HA ASN E 23 109.914 7.264 -7.270 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.948 7.703 -8.469 1.00 0.00 H new ATOM 0 HB3 ASN E 23 109.205 8.330 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN E 23 106.722 5.925 -11.318 1.00 0.00 H new ATOM 0 HD22 ASN E 23 106.405 7.146 -10.081 1.00 0.00 H new ATOM 525 N PRO E 24 108.487 5.008 -7.108 1.00 0.00 N ATOM 526 CA PRO E 24 108.104 3.609 -6.736 1.00 0.00 C ATOM 527 C PRO E 24 107.952 2.696 -7.951 1.00 0.00 C ATOM 528 O PRO E 24 108.269 1.510 -7.872 1.00 0.00 O ATOM 529 CB PRO E 24 106.771 3.778 -6.000 1.00 0.00 C ATOM 530 CG PRO E 24 106.800 5.169 -5.462 1.00 0.00 C ATOM 531 CD PRO E 24 107.594 5.997 -6.472 1.00 0.00 C ATOM 0 HA PRO E 24 108.872 3.128 -6.130 1.00 0.00 H new ATOM 0 HB2 PRO E 24 105.927 3.633 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.668 3.047 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.790 5.562 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.270 5.197 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.940 6.474 -7.202 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.159 6.791 -5.983 1.00 0.00 H new ATOM 539 N ASP E 25 107.491 3.250 -9.073 1.00 0.00 N ATOM 540 CA ASP E 25 107.336 2.448 -10.290 1.00 0.00 C ATOM 541 C ASP E 25 108.707 1.998 -10.790 1.00 0.00 C ATOM 542 O ASP E 25 108.918 0.816 -11.078 1.00 0.00 O ATOM 543 CB ASP E 25 106.632 3.263 -11.388 1.00 0.00 C ATOM 544 CG ASP E 25 105.209 3.660 -10.961 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.488 2.804 -10.465 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.854 4.813 -11.153 1.00 0.00 O ATOM 0 H ASP E 25 107.223 4.230 -9.166 1.00 0.00 H new ATOM 0 HA ASP E 25 106.727 1.575 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.212 4.159 -11.607 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.589 2.679 -12.307 1.00 0.00 H new ATOM 551 N GLN E 26 109.633 2.957 -10.886 1.00 0.00 N ATOM 552 CA GLN E 26 110.988 2.683 -11.348 1.00 0.00 C ATOM 553 C GLN E 26 111.752 1.802 -10.354 1.00 0.00 C ATOM 554 O GLN E 26 112.411 0.840 -10.762 1.00 0.00 O ATOM 555 CB GLN E 26 111.725 4.011 -11.555 1.00 0.00 C ATOM 556 CG GLN E 26 111.123 4.757 -12.759 1.00 0.00 C ATOM 557 CD GLN E 26 111.483 4.042 -14.059 1.00 0.00 C ATOM 558 OE1 GLN E 26 110.635 3.875 -14.936 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.697 3.610 -14.234 1.00 0.00 N ATOM 0 H GLN E 26 109.463 3.934 -10.647 1.00 0.00 H new ATOM 0 HA GLN E 26 110.931 2.139 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.646 4.625 -10.658 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.786 3.827 -11.723 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.039 4.814 -12.655 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.495 5.781 -12.784 1.00 0.00 H new ATOM 0 HE21 GLN E 26 113.398 3.749 -13.506 1.00 0.00 H new ATOM 0 HE22 GLN E 26 112.948 3.132 -15.099 1.00 0.00 H new ATOM 568 N LEU E 27 111.663 2.126 -9.056 1.00 0.00 N ATOM 569 CA LEU E 27 112.358 1.338 -8.036 1.00 0.00 C ATOM 570 C LEU E 27 111.799 -0.087 -7.986 1.00 0.00 C ATOM 571 O LEU E 27 112.562 -1.048 -7.887 1.00 0.00 O ATOM 572 CB LEU E 27 112.241 1.997 -6.650 1.00 0.00 C ATOM 573 CG LEU E 27 112.918 3.385 -6.646 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.741 4.048 -5.272 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.425 3.259 -6.940 1.00 0.00 C ATOM 0 H LEU E 27 111.126 2.914 -8.695 1.00 0.00 H new ATOM 0 HA LEU E 27 113.413 1.297 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.190 2.099 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.705 1.359 -5.898 1.00 0.00 H new ATOM 0 HG LEU E 27 112.449 3.991 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.221 5.027 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.679 4.166 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.198 3.423 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.881 4.249 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.894 2.637 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.568 2.801 -7.919 1.00 0.00 H new ATOM 587 N CYS E 28 110.469 -0.219 -8.064 1.00 0.00 N ATOM 588 CA CYS E 28 109.839 -1.543 -8.034 1.00 0.00 C ATOM 589 C CYS E 28 110.251 -2.364 -9.254 1.00 0.00 C ATOM 590 O CYS E 28 110.553 -3.557 -9.133 1.00 0.00 O ATOM 591 CB CYS E 28 108.313 -1.417 -7.989 1.00 0.00 C ATOM 592 SG CYS E 28 107.583 -3.062 -7.799 1.00 0.00 S ATOM 0 H CYS E 28 109.818 0.562 -8.147 1.00 0.00 H new ATOM 0 HA CYS E 28 110.178 -2.054 -7.133 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.014 -0.776 -7.160 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.948 -0.948 -8.903 1.00 0.00 H new ATOM 597 N ALA E 29 110.263 -1.718 -10.428 1.00 0.00 N ATOM 598 CA ALA E 29 110.646 -2.390 -11.672 1.00 0.00 C ATOM 599 C ALA E 29 112.093 -2.870 -11.578 1.00 0.00 C ATOM 600 O ALA E 29 112.411 -4.008 -11.936 1.00 0.00 O ATOM 601 CB ALA E 29 110.507 -1.419 -12.853 1.00 0.00 C ATOM 0 H ALA E 29 110.013 -0.736 -10.540 1.00 0.00 H new ATOM 0 HA ALA E 29 109.990 -3.246 -11.828 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.793 -1.925 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.473 -1.084 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.156 -0.558 -12.695 1.00 0.00 H new ATOM 607 N PHE E 30 112.951 -1.984 -11.076 1.00 0.00 N ATOM 608 CA PHE E 30 114.369 -2.282 -10.903 1.00 0.00 C ATOM 609 C PHE E 30 114.565 -3.405 -9.879 1.00 0.00 C ATOM 610 O PHE E 30 115.271 -4.375 -10.141 1.00 0.00 O ATOM 611 CB PHE E 30 115.080 -0.994 -10.444 1.00 0.00 C ATOM 612 CG PHE E 30 116.503 -1.279 -10.002 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.437 -1.796 -10.907 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.884 -1.014 -8.677 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.748 -2.047 -10.487 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.195 -1.267 -8.262 1.00 0.00 C ATOM 617 CZ PHE E 30 119.124 -1.782 -9.167 1.00 0.00 C ATOM 0 H PHE E 30 112.684 -1.045 -10.780 1.00 0.00 H new ATOM 0 HA PHE E 30 114.795 -2.624 -11.846 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.088 -0.270 -11.259 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.525 -0.543 -9.622 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.147 -2.001 -11.927 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.164 -0.615 -7.978 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.470 -2.446 -11.184 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.488 -1.064 -7.243 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.137 -1.976 -8.847 1.00 0.00 H new ATOM 627 N ILE E 31 113.939 -3.245 -8.717 1.00 0.00 N ATOM 628 CA ILE E 31 114.036 -4.223 -7.628 1.00 0.00 C ATOM 629 C ILE E 31 113.534 -5.610 -8.042 1.00 0.00 C ATOM 630 O ILE E 31 114.085 -6.621 -7.594 1.00 0.00 O ATOM 631 CB ILE E 31 113.256 -3.676 -6.413 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.072 -2.542 -5.784 1.00 0.00 C ATOM 633 CG2 ILE E 31 113.007 -4.754 -5.347 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.214 -1.765 -4.785 1.00 0.00 C ATOM 0 H ILE E 31 113.352 -2.440 -8.500 1.00 0.00 H new ATOM 0 HA ILE E 31 115.085 -4.358 -7.365 1.00 0.00 H new ATOM 0 HB ILE E 31 112.286 -3.326 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.948 -2.951 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.435 -1.871 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.455 -4.320 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.427 -5.568 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.962 -5.139 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.805 -0.962 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.351 -1.341 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.873 -2.438 -3.998 1.00 0.00 H new ATOM 646 N HIS E 32 112.503 -5.665 -8.889 1.00 0.00 N ATOM 647 CA HIS E 32 111.968 -6.955 -9.330 1.00 0.00 C ATOM 648 C HIS E 32 112.989 -7.675 -10.203 1.00 0.00 C ATOM 649 O HIS E 32 113.303 -8.845 -9.971 1.00 0.00 O ATOM 650 CB HIS E 32 110.657 -6.755 -10.111 1.00 0.00 C ATOM 651 CG HIS E 32 109.480 -6.895 -9.177 1.00 0.00 C ATOM 652 ND1 HIS E 32 108.734 -5.806 -8.753 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.913 -7.994 -8.579 1.00 0.00 C ATOM 654 CE1 HIS E 32 107.768 -6.272 -7.937 1.00 0.00 C ATOM 655 NE2 HIS E 32 107.835 -7.599 -7.796 1.00 0.00 N ATOM 0 H HIS E 32 112.030 -4.849 -9.277 1.00 0.00 H new ATOM 0 HA HIS E 32 111.761 -7.563 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.648 -5.770 -10.578 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.585 -7.489 -10.914 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.254 -9.012 -8.699 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.029 -5.648 -7.455 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.226 -8.194 -7.234 1.00 0.00 H new ATOM 664 N SER E 33 113.507 -6.958 -11.198 1.00 0.00 N ATOM 665 CA SER E 33 114.503 -7.517 -12.112 1.00 0.00 C ATOM 666 C SER E 33 115.807 -7.822 -11.375 1.00 0.00 C ATOM 667 O SER E 33 116.408 -8.885 -11.567 1.00 0.00 O ATOM 668 CB SER E 33 114.760 -6.516 -13.242 1.00 0.00 C ATOM 669 OG SER E 33 115.665 -7.079 -14.189 1.00 0.00 O ATOM 0 H SER E 33 113.254 -5.989 -11.393 1.00 0.00 H new ATOM 0 HA SER E 33 114.123 -8.452 -12.524 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.821 -6.257 -13.732 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.172 -5.593 -12.835 1.00 0.00 H new ATOM 0 HG SER E 33 115.825 -6.436 -14.911 1.00 0.00 H new ATOM 675 N LEU E 34 116.221 -6.877 -10.527 1.00 0.00 N ATOM 676 CA LEU E 34 117.445 -7.001 -9.728 1.00 0.00 C ATOM 677 C LEU E 34 117.447 -8.326 -8.964 1.00 0.00 C ATOM 678 O LEU E 34 118.466 -9.018 -8.897 1.00 0.00 O ATOM 679 CB LEU E 34 117.495 -5.808 -8.748 1.00 0.00 C ATOM 680 CG LEU E 34 118.724 -5.865 -7.818 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.018 -5.863 -8.650 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.699 -4.644 -6.876 1.00 0.00 C ATOM 0 H LEU E 34 115.717 -6.003 -10.374 1.00 0.00 H new ATOM 0 HA LEU E 34 118.323 -6.991 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.513 -4.877 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.587 -5.797 -8.146 1.00 0.00 H new ATOM 0 HG LEU E 34 118.693 -6.782 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.879 -5.903 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.028 -6.731 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.065 -4.953 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.565 -4.677 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.728 -3.728 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.787 -4.663 -6.280 1.00 0.00 H new ATOM 694 N HIS E 35 116.293 -8.652 -8.393 1.00 0.00 N ATOM 695 CA HIS E 35 116.134 -9.879 -7.626 1.00 0.00 C ATOM 696 C HIS E 35 115.906 -11.089 -8.545 1.00 0.00 C ATOM 697 O HIS E 35 116.330 -12.203 -8.224 1.00 0.00 O ATOM 698 CB HIS E 35 114.954 -9.718 -6.664 1.00 0.00 C ATOM 699 CG HIS E 35 115.147 -10.634 -5.484 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.392 -11.988 -5.635 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.146 -10.403 -4.129 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.525 -12.518 -4.406 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.385 -11.595 -3.451 1.00 0.00 N ATOM 0 H HIS E 35 115.451 -8.080 -8.448 1.00 0.00 H new ATOM 0 HA HIS E 35 117.050 -10.061 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.882 -8.684 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.020 -9.954 -7.173 1.00 0.00 H new ATOM 0 HD1 HIS E 35 115.459 -12.493 -6.519 1.00 0.00 H new ATOM 0 HD2 HIS E 35 114.984 -9.443 -3.662 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.721 -13.563 -4.215 1.00 0.00 H new ATOM 712 N ASP E 36 115.215 -10.864 -9.670 1.00 0.00 N ATOM 713 CA ASP E 36 114.913 -11.943 -10.619 1.00 0.00 C ATOM 714 C ASP E 36 116.186 -12.579 -11.186 1.00 0.00 C ATOM 715 O ASP E 36 116.232 -13.795 -11.395 1.00 0.00 O ATOM 716 CB ASP E 36 114.052 -11.405 -11.769 1.00 0.00 C ATOM 717 CG ASP E 36 113.564 -12.561 -12.645 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.561 -13.163 -12.293 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.199 -12.830 -13.651 1.00 0.00 O ATOM 0 H ASP E 36 114.856 -9.949 -9.944 1.00 0.00 H new ATOM 0 HA ASP E 36 114.367 -12.713 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.199 -10.856 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.630 -10.703 -12.369 1.00 0.00 H new ATOM 724 N ASP E 37 117.206 -11.751 -11.449 1.00 0.00 N ATOM 725 CA ASP E 37 118.475 -12.243 -12.009 1.00 0.00 C ATOM 726 C ASP E 37 119.680 -11.638 -11.266 1.00 0.00 C ATOM 727 O ASP E 37 120.296 -10.678 -11.742 1.00 0.00 O ATOM 728 CB ASP E 37 118.551 -11.901 -13.511 1.00 0.00 C ATOM 729 CG ASP E 37 117.362 -12.509 -14.267 1.00 0.00 C ATOM 730 OD1 ASP E 37 117.206 -13.721 -14.221 1.00 0.00 O ATOM 731 OD2 ASP E 37 116.628 -11.754 -14.886 1.00 0.00 O ATOM 0 H ASP E 37 117.180 -10.745 -11.285 1.00 0.00 H new ATOM 0 HA ASP E 37 118.509 -13.325 -11.883 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.557 -10.819 -13.643 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.485 -12.278 -13.928 1.00 0.00 H new ATOM 736 N PRO E 38 120.030 -12.178 -10.110 1.00 0.00 N ATOM 737 CA PRO E 38 121.186 -11.674 -9.301 1.00 0.00 C ATOM 738 C PRO E 38 122.514 -11.771 -10.061 1.00 0.00 C ATOM 739 O PRO E 38 123.457 -11.028 -9.771 1.00 0.00 O ATOM 740 CB PRO E 38 121.199 -12.564 -8.049 1.00 0.00 C ATOM 741 CG PRO E 38 119.861 -13.228 -8.005 1.00 0.00 C ATOM 742 CD PRO E 38 119.372 -13.319 -9.448 1.00 0.00 C ATOM 0 HA PRO E 38 121.075 -10.616 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.000 -13.302 -8.102 1.00 0.00 H new ATOM 0 HB3 PRO E 38 121.371 -11.972 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO E 38 119.935 -14.219 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.163 -12.654 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.654 -14.266 -9.908 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.286 -13.246 -9.509 1.00 0.00 H new ATOM 750 N SER E 39 122.577 -12.695 -11.029 1.00 0.00 N ATOM 751 CA SER E 39 123.792 -12.897 -11.831 1.00 0.00 C ATOM 752 C SER E 39 124.206 -11.602 -12.533 1.00 0.00 C ATOM 753 O SER E 39 125.392 -11.261 -12.575 1.00 0.00 O ATOM 754 CB SER E 39 123.546 -13.989 -12.880 1.00 0.00 C ATOM 755 OG SER E 39 124.709 -14.150 -13.686 1.00 0.00 O ATOM 0 H SER E 39 121.804 -13.313 -11.276 1.00 0.00 H new ATOM 0 HA SER E 39 124.596 -13.202 -11.161 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.299 -14.930 -12.389 1.00 0.00 H new ATOM 0 HB3 SER E 39 122.693 -13.722 -13.504 1.00 0.00 H new ATOM 0 HG SER E 39 124.550 -14.849 -14.354 1.00 0.00 H new ATOM 761 N GLN E 40 123.214 -10.889 -13.070 1.00 0.00 N ATOM 762 CA GLN E 40 123.454 -9.621 -13.769 1.00 0.00 C ATOM 763 C GLN E 40 123.157 -8.433 -12.858 1.00 0.00 C ATOM 764 O GLN E 40 122.957 -7.322 -13.342 1.00 0.00 O ATOM 765 CB GLN E 40 122.558 -9.518 -15.011 1.00 0.00 C ATOM 766 CG GLN E 40 122.773 -10.706 -15.957 1.00 0.00 C ATOM 767 CD GLN E 40 124.263 -10.930 -16.231 1.00 0.00 C ATOM 768 OE1 GLN E 40 124.906 -10.111 -16.887 1.00 0.00 O ATOM 769 NE2 GLN E 40 124.852 -11.992 -15.751 1.00 0.00 N ATOM 0 H GLN E 40 122.233 -11.168 -13.035 1.00 0.00 H new ATOM 0 HA GLN E 40 124.503 -9.600 -14.063 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.513 -9.479 -14.705 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.770 -8.588 -15.538 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.341 -11.606 -15.519 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.250 -10.526 -16.896 1.00 0.00 H new ATOM 0 HE21 GLN E 40 124.318 -12.670 -15.207 1.00 0.00 H new ATOM 0 HE22 GLN E 40 125.846 -12.144 -15.920 1.00 0.00 H new ATOM 778 N SER E 41 123.108 -8.673 -11.548 1.00 0.00 N ATOM 779 CA SER E 41 122.803 -7.612 -10.587 1.00 0.00 C ATOM 780 C SER E 41 123.639 -6.354 -10.836 1.00 0.00 C ATOM 781 O SER E 41 123.133 -5.238 -10.703 1.00 0.00 O ATOM 782 CB SER E 41 123.041 -8.127 -9.172 1.00 0.00 C ATOM 783 OG SER E 41 124.409 -8.483 -9.011 1.00 0.00 O ATOM 0 H SER E 41 123.275 -9.588 -11.129 1.00 0.00 H new ATOM 0 HA SER E 41 121.756 -7.335 -10.712 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.767 -7.361 -8.446 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.406 -8.991 -8.978 1.00 0.00 H new ATOM 0 HG SER E 41 124.525 -9.436 -9.210 1.00 0.00 H new ATOM 789 N ALA E 42 124.904 -6.539 -11.225 1.00 0.00 N ATOM 790 CA ALA E 42 125.782 -5.405 -11.514 1.00 0.00 C ATOM 791 C ALA E 42 125.325 -4.689 -12.789 1.00 0.00 C ATOM 792 O ALA E 42 125.210 -3.460 -12.809 1.00 0.00 O ATOM 793 CB ALA E 42 127.227 -5.886 -11.675 1.00 0.00 C ATOM 0 H ALA E 42 125.338 -7.454 -11.346 1.00 0.00 H new ATOM 0 HA ALA E 42 125.731 -4.704 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.872 -5.034 -11.890 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.555 -6.367 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.283 -6.600 -12.497 1.00 0.00 H new ATOM 799 N ASN E 43 125.057 -5.471 -13.844 1.00 0.00 N ATOM 800 CA ASN E 43 124.601 -4.912 -15.121 1.00 0.00 C ATOM 801 C ASN E 43 123.261 -4.203 -14.952 1.00 0.00 C ATOM 802 O ASN E 43 123.070 -3.094 -15.454 1.00 0.00 O ATOM 803 CB ASN E 43 124.457 -6.023 -16.172 1.00 0.00 C ATOM 804 CG ASN E 43 125.827 -6.396 -16.730 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.315 -7.502 -16.504 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.475 -5.527 -17.455 1.00 0.00 N ATOM 0 H ASN E 43 125.148 -6.487 -13.837 1.00 0.00 H new ATOM 0 HA ASN E 43 125.347 -4.191 -15.456 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.987 -6.899 -15.725 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.805 -5.689 -16.979 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.391 -5.763 -17.837 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.066 -4.611 -17.640 1.00 0.00 H new ATOM 813 N LEU E 44 122.347 -4.858 -14.236 1.00 0.00 N ATOM 814 CA LEU E 44 121.019 -4.305 -13.982 1.00 0.00 C ATOM 815 C LEU E 44 121.129 -2.987 -13.226 1.00 0.00 C ATOM 816 O LEU E 44 120.387 -2.042 -13.506 1.00 0.00 O ATOM 817 CB LEU E 44 120.178 -5.298 -13.164 1.00 0.00 C ATOM 818 CG LEU E 44 119.919 -6.582 -13.976 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.287 -7.644 -13.069 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.968 -6.279 -15.146 1.00 0.00 C ATOM 0 H LEU E 44 122.504 -5.776 -13.821 1.00 0.00 H new ATOM 0 HA LEU E 44 120.532 -4.126 -14.941 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.696 -5.545 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.229 -4.838 -12.887 1.00 0.00 H new ATOM 0 HG LEU E 44 120.866 -6.952 -14.369 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.104 -8.552 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.964 -7.867 -12.244 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.343 -7.269 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.790 -7.191 -15.715 1.00 0.00 H new ATOM 0 HD22 LEU E 44 118.022 -5.903 -14.758 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.418 -5.528 -15.795 1.00 0.00 H new ATOM 832 N LEU E 45 122.069 -2.927 -12.275 1.00 0.00 N ATOM 833 CA LEU E 45 122.269 -1.707 -11.497 1.00 0.00 C ATOM 834 C LEU E 45 122.727 -0.581 -12.415 1.00 0.00 C ATOM 835 O LEU E 45 122.305 0.559 -12.255 1.00 0.00 O ATOM 836 CB LEU E 45 123.313 -1.921 -10.389 1.00 0.00 C ATOM 837 CG LEU E 45 122.858 -1.253 -9.073 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.033 -1.233 -8.094 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.352 0.191 -9.322 1.00 0.00 C ATOM 0 H LEU E 45 122.692 -3.697 -12.031 1.00 0.00 H new ATOM 0 HA LEU E 45 121.320 -1.442 -11.030 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.465 -2.988 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.272 -1.506 -10.701 1.00 0.00 H new ATOM 0 HG LEU E 45 122.032 -1.828 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.721 -0.763 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.358 -2.254 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.858 -0.668 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.039 0.635 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.155 0.788 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.506 0.167 -10.009 1.00 0.00 H new ATOM 851 N ALA E 46 123.580 -0.917 -13.390 1.00 0.00 N ATOM 852 CA ALA E 46 124.080 0.079 -14.343 1.00 0.00 C ATOM 853 C ALA E 46 122.904 0.798 -15.000 1.00 0.00 C ATOM 854 O ALA E 46 122.957 2.004 -15.252 1.00 0.00 O ATOM 855 CB ALA E 46 124.931 -0.610 -15.419 1.00 0.00 C ATOM 0 H ALA E 46 123.935 -1.862 -13.539 1.00 0.00 H new ATOM 0 HA ALA E 46 124.695 0.805 -13.811 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.299 0.135 -16.124 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.776 -1.113 -14.948 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.323 -1.342 -15.950 1.00 0.00 H new ATOM 861 N GLU E 47 121.838 0.036 -15.245 1.00 0.00 N ATOM 862 CA GLU E 47 120.624 0.578 -15.851 1.00 0.00 C ATOM 863 C GLU E 47 119.947 1.523 -14.888 1.00 0.00 C ATOM 864 O GLU E 47 119.434 2.567 -15.292 1.00 0.00 O ATOM 865 CB GLU E 47 119.634 -0.545 -16.174 1.00 0.00 C ATOM 866 CG GLU E 47 120.383 -1.715 -16.788 1.00 0.00 C ATOM 867 CD GLU E 47 119.402 -2.711 -17.411 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.662 -3.330 -16.665 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.406 -2.841 -18.626 1.00 0.00 O ATOM 0 H GLU E 47 121.792 -0.960 -15.032 1.00 0.00 H new ATOM 0 HA GLU E 47 120.911 1.097 -16.765 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.120 -0.863 -15.267 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.871 -0.185 -16.864 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.075 -1.353 -17.548 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.981 -2.213 -16.024 1.00 0.00 H new ATOM 876 N ALA E 48 119.941 1.138 -13.608 1.00 0.00 N ATOM 877 CA ALA E 48 119.313 1.945 -12.593 1.00 0.00 C ATOM 878 C ALA E 48 120.143 3.193 -12.351 1.00 0.00 C ATOM 879 O ALA E 48 119.608 4.266 -12.086 1.00 0.00 O ATOM 880 CB ALA E 48 119.121 1.165 -11.298 1.00 0.00 C ATOM 0 H ALA E 48 120.365 0.276 -13.266 1.00 0.00 H new ATOM 0 HA ALA E 48 118.323 2.234 -12.945 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.645 1.805 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.490 0.296 -11.487 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.091 0.835 -10.925 1.00 0.00 H new ATOM 886 N LYS E 49 121.467 3.051 -12.474 1.00 0.00 N ATOM 887 CA LYS E 49 122.363 4.184 -12.298 1.00 0.00 C ATOM 888 C LYS E 49 122.120 5.172 -13.434 1.00 0.00 C ATOM 889 O LYS E 49 122.007 6.377 -13.216 1.00 0.00 O ATOM 890 CB LYS E 49 123.830 3.728 -12.280 1.00 0.00 C ATOM 891 CG LYS E 49 124.502 4.122 -10.949 1.00 0.00 C ATOM 892 CD LYS E 49 124.236 3.044 -9.893 1.00 0.00 C ATOM 893 CE LYS E 49 125.188 1.853 -10.088 1.00 0.00 C ATOM 894 NZ LYS E 49 126.599 2.288 -9.861 1.00 0.00 N ATOM 0 H LYS E 49 121.932 2.170 -12.693 1.00 0.00 H new ATOM 0 HA LYS E 49 122.161 4.663 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.883 2.648 -12.415 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.368 4.180 -13.113 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.575 4.244 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.116 5.082 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.368 3.463 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.202 2.706 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.929 1.052 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.080 1.451 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.126 2.239 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.608 3.266 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.047 1.663 -9.161 1.00 0.00 H new ATOM 908 N LYS E 50 121.982 4.628 -14.651 1.00 0.00 N ATOM 909 CA LYS E 50 121.676 5.447 -15.815 1.00 0.00 C ATOM 910 C LYS E 50 120.298 6.075 -15.601 1.00 0.00 C ATOM 911 O LYS E 50 120.054 7.216 -15.989 1.00 0.00 O ATOM 912 CB LYS E 50 121.692 4.583 -17.081 1.00 0.00 C ATOM 913 CG LYS E 50 123.146 4.212 -17.439 1.00 0.00 C ATOM 914 CD LYS E 50 123.191 2.910 -18.263 1.00 0.00 C ATOM 915 CE LYS E 50 122.403 3.066 -19.570 1.00 0.00 C ATOM 916 NZ LYS E 50 123.045 4.106 -20.426 1.00 0.00 N ATOM 0 H LYS E 50 122.078 3.632 -14.847 1.00 0.00 H new ATOM 0 HA LYS E 50 122.422 6.232 -15.940 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.104 3.679 -16.923 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.230 5.123 -17.907 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.604 5.023 -18.006 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.730 4.091 -16.527 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.226 2.651 -18.486 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.776 2.089 -17.678 1.00 0.00 H new ATOM 0 HE2 LYS E 50 122.370 2.115 -20.101 1.00 0.00 H new ATOM 0 HE3 LYS E 50 121.372 3.346 -19.353 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.663 4.046 -21.391 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.847 5.049 -20.034 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 124.073 3.950 -20.450 1.00 0.00 H new ATOM 930 N LEU E 51 119.427 5.311 -14.926 1.00 0.00 N ATOM 931 CA LEU E 51 118.080 5.769 -14.582 1.00 0.00 C ATOM 932 C LEU E 51 118.196 6.931 -13.598 1.00 0.00 C ATOM 933 O LEU E 51 117.443 7.902 -13.676 1.00 0.00 O ATOM 934 CB LEU E 51 117.315 4.620 -13.906 1.00 0.00 C ATOM 935 CG LEU E 51 115.984 4.294 -14.597 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.004 5.476 -14.485 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.221 3.929 -16.073 1.00 0.00 C ATOM 0 H LEU E 51 119.638 4.365 -14.607 1.00 0.00 H new ATOM 0 HA LEU E 51 117.552 6.086 -15.481 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.942 3.728 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.123 4.882 -12.866 1.00 0.00 H new ATOM 0 HG LEU E 51 115.540 3.436 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.068 5.221 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.810 5.690 -13.434 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.439 6.356 -14.960 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.267 3.700 -16.549 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.690 4.769 -16.585 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.874 3.058 -16.132 1.00 0.00 H new ATOM 949 N ASN E 52 119.167 6.807 -12.674 1.00 0.00 N ATOM 950 CA ASN E 52 119.417 7.836 -11.666 1.00 0.00 C ATOM 951 C ASN E 52 119.661 9.174 -12.371 1.00 0.00 C ATOM 952 O ASN E 52 119.162 10.218 -11.942 1.00 0.00 O ATOM 953 CB ASN E 52 120.633 7.438 -10.789 1.00 0.00 C ATOM 954 CG ASN E 52 120.694 8.324 -9.544 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.754 8.355 -8.751 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.755 9.052 -9.324 1.00 0.00 N ATOM 0 H ASN E 52 119.788 6.000 -12.611 1.00 0.00 H new ATOM 0 HA ASN E 52 118.551 7.934 -11.011 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.553 6.391 -10.496 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.554 7.539 -11.363 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.804 9.645 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.535 9.028 -9.980 1.00 0.00 H new ATOM 963 N ASP E 53 120.395 9.104 -13.488 1.00 0.00 N ATOM 964 CA ASP E 53 120.680 10.278 -14.317 1.00 0.00 C ATOM 965 C ASP E 53 119.490 10.582 -15.237 1.00 0.00 C ATOM 966 O ASP E 53 119.233 11.740 -15.572 1.00 0.00 O ATOM 967 CB ASP E 53 121.937 10.029 -15.157 1.00 0.00 C ATOM 968 CG ASP E 53 122.321 11.294 -15.930 1.00 0.00 C ATOM 969 OD1 ASP E 53 122.985 12.140 -15.353 1.00 0.00 O ATOM 970 OD2 ASP E 53 121.942 11.399 -17.087 1.00 0.00 O ATOM 0 H ASP E 53 120.805 8.238 -13.839 1.00 0.00 H new ATOM 0 HA ASP E 53 120.848 11.135 -13.665 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.760 9.726 -14.510 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.761 9.209 -15.853 1.00 0.00 H new ATOM 975 N ALA E 54 118.784 9.523 -15.655 1.00 0.00 N ATOM 976 CA ALA E 54 117.629 9.662 -16.550 1.00 0.00 C ATOM 977 C ALA E 54 116.517 10.454 -15.875 1.00 0.00 C ATOM 978 O ALA E 54 115.797 11.214 -16.528 1.00 0.00 O ATOM 979 CB ALA E 54 117.099 8.278 -16.957 1.00 0.00 C ATOM 0 H ALA E 54 118.993 8.561 -15.387 1.00 0.00 H new ATOM 0 HA ALA E 54 117.955 10.199 -17.441 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.243 8.397 -17.621 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.884 7.725 -17.473 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.794 7.729 -16.066 1.00 0.00 H new ATOM 985 N GLN E 55 116.407 10.279 -14.562 1.00 0.00 N ATOM 986 CA GLN E 55 115.411 10.981 -13.769 1.00 0.00 C ATOM 987 C GLN E 55 116.044 12.272 -13.275 1.00 0.00 C ATOM 988 O GLN E 55 115.715 13.361 -13.751 1.00 0.00 O ATOM 989 CB GLN E 55 114.975 10.100 -12.586 1.00 0.00 C ATOM 990 CG GLN E 55 114.214 8.866 -13.098 1.00 0.00 C ATOM 991 CD GLN E 55 112.730 9.183 -13.251 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.298 9.665 -14.298 1.00 0.00 O ATOM 993 NE2 GLN E 55 111.922 8.943 -12.259 1.00 0.00 N ATOM 0 H GLN E 55 117.003 9.650 -14.023 1.00 0.00 H new ATOM 0 HA GLN E 55 114.525 11.205 -14.363 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.849 9.787 -12.015 1.00 0.00 H new ATOM 0 HB3 GLN E 55 114.341 10.673 -11.910 1.00 0.00 H new ATOM 0 HG2 GLN E 55 114.625 8.549 -14.056 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.346 8.036 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.283 8.544 -11.393 1.00 0.00 H new ATOM 0 HE22 GLN E 55 110.928 9.154 -12.348 1.00 0.00 H new ATOM 1002 N ALA E 56 117.011 12.098 -12.370 1.00 0.00 N ATOM 1003 CA ALA E 56 117.799 13.185 -11.805 1.00 0.00 C ATOM 1004 C ALA E 56 116.959 14.354 -11.248 1.00 0.00 C ATOM 1005 O ALA E 56 115.746 14.437 -11.457 1.00 0.00 O ATOM 1006 CB ALA E 56 118.799 13.654 -12.859 1.00 0.00 C ATOM 0 H ALA E 56 117.269 11.181 -12.006 1.00 0.00 H new ATOM 0 HA ALA E 56 118.323 12.797 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA E 56 119.399 14.469 -12.454 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.451 12.826 -13.136 1.00 0.00 H new ATOM 0 HB3 ALA E 56 118.262 14.003 -13.741 1.00 0.00 H new ATOM 1013 N GLY F 14 120.283 10.609 8.899 1.00 0.00 N ATOM 1014 CA GLY F 14 119.443 10.103 9.987 1.00 0.00 C ATOM 1015 C GLY F 14 119.578 8.596 10.140 1.00 0.00 C ATOM 1016 O GLY F 14 120.551 7.994 9.675 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.722 10.591 10.921 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.401 10.358 9.793 1.00 0.00 H new ATOM 1020 N GLU F 15 118.590 7.997 10.801 1.00 0.00 N ATOM 1021 CA GLU F 15 118.585 6.564 11.022 1.00 0.00 C ATOM 1022 C GLU F 15 118.476 5.841 9.697 1.00 0.00 C ATOM 1023 O GLU F 15 117.767 6.286 8.791 1.00 0.00 O ATOM 1024 CB GLU F 15 117.399 6.159 11.894 1.00 0.00 C ATOM 1025 CG GLU F 15 117.596 4.716 12.384 1.00 0.00 C ATOM 1026 CD GLU F 15 116.403 4.214 13.226 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.499 4.992 13.509 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.419 3.045 13.583 1.00 0.00 O ATOM 0 H GLU F 15 117.785 8.487 11.191 1.00 0.00 H new ATOM 0 HA GLU F 15 119.514 6.294 11.524 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.311 6.835 12.745 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.472 6.239 11.326 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.734 4.059 11.525 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.507 4.658 12.979 1.00 0.00 H new ATOM 1035 N ILE F 16 119.167 4.718 9.605 1.00 0.00 N ATOM 1036 CA ILE F 16 119.151 3.903 8.404 1.00 0.00 C ATOM 1037 C ILE F 16 118.564 2.528 8.719 1.00 0.00 C ATOM 1038 O ILE F 16 118.803 1.970 9.793 1.00 0.00 O ATOM 1039 CB ILE F 16 120.568 3.764 7.861 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.112 5.144 7.436 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.560 2.812 6.657 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.586 5.024 7.022 1.00 0.00 C ATOM 0 H ILE F 16 119.751 4.348 10.355 1.00 0.00 H new ATOM 0 HA ILE F 16 118.529 4.383 7.648 1.00 0.00 H new ATOM 0 HB ILE F 16 121.213 3.359 8.640 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.524 5.536 6.606 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.014 5.852 8.259 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.573 2.711 6.266 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.192 1.835 6.968 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.910 3.214 5.880 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.961 6.003 6.724 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.171 4.652 7.863 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.674 4.331 6.185 1.00 0.00 H new ATOM 1054 N VAL F 17 117.785 2.010 7.771 1.00 0.00 N ATOM 1055 CA VAL F 17 117.130 0.713 7.918 1.00 0.00 C ATOM 1056 C VAL F 17 117.513 -0.214 6.764 1.00 0.00 C ATOM 1057 O VAL F 17 117.147 0.045 5.620 1.00 0.00 O ATOM 1058 CB VAL F 17 115.614 0.965 7.923 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.829 -0.337 7.691 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.214 1.579 9.272 1.00 0.00 C ATOM 0 H VAL F 17 117.591 2.475 6.884 1.00 0.00 H new ATOM 0 HA VAL F 17 117.442 0.229 8.843 1.00 0.00 H new ATOM 0 HB VAL F 17 115.372 1.650 7.110 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.760 -0.124 7.700 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.106 -0.762 6.726 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.064 -1.049 8.482 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.139 1.761 9.284 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.475 0.891 10.076 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.743 2.521 9.414 1.00 0.00 H new ATOM 1070 N TYR F 18 118.226 -1.303 7.083 1.00 0.00 N ATOM 1071 CA TYR F 18 118.644 -2.277 6.067 1.00 0.00 C ATOM 1072 C TYR F 18 117.621 -3.395 5.958 1.00 0.00 C ATOM 1073 O TYR F 18 117.111 -3.885 6.970 1.00 0.00 O ATOM 1074 CB TYR F 18 120.032 -2.856 6.419 1.00 0.00 C ATOM 1075 CG TYR F 18 121.123 -2.036 5.747 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.008 -0.643 5.673 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.239 -2.671 5.180 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.992 0.111 5.039 1.00 0.00 C ATOM 1079 CE2 TYR F 18 123.230 -1.910 4.550 1.00 0.00 C ATOM 1080 CZ TYR F 18 123.106 -0.520 4.478 1.00 0.00 C ATOM 1081 OH TYR F 18 124.079 0.229 3.850 1.00 0.00 O ATOM 0 H TYR F 18 118.524 -1.530 8.032 1.00 0.00 H new ATOM 0 HA TYR F 18 118.711 -1.769 5.105 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.174 -2.850 7.500 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.095 -3.895 6.095 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.152 -0.151 6.110 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.333 -3.746 5.230 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.894 1.185 4.981 1.00 0.00 H new ATOM 0 HE2 TYR F 18 124.092 -2.398 4.119 1.00 0.00 H new ATOM 0 HH TYR F 18 123.711 0.623 3.032 1.00 0.00 H new ATOM 1091 N LEU F 19 117.304 -3.760 4.712 1.00 0.00 N ATOM 1092 CA LEU F 19 116.300 -4.798 4.443 1.00 0.00 C ATOM 1093 C LEU F 19 116.891 -5.942 3.592 1.00 0.00 C ATOM 1094 O LEU F 19 116.691 -5.987 2.373 1.00 0.00 O ATOM 1095 CB LEU F 19 115.088 -4.154 3.737 1.00 0.00 C ATOM 1096 CG LEU F 19 114.646 -2.877 4.494 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.835 -1.972 3.563 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.795 -3.263 5.715 1.00 0.00 C ATOM 0 H LEU F 19 117.725 -3.355 3.876 1.00 0.00 H new ATOM 0 HA LEU F 19 115.978 -5.236 5.388 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.347 -3.904 2.708 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.263 -4.865 3.694 1.00 0.00 H new ATOM 0 HG LEU F 19 115.532 -2.339 4.830 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.528 -1.076 4.103 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.448 -1.688 2.707 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.951 -2.507 3.215 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.487 -2.361 6.244 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.912 -3.810 5.385 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.382 -3.893 6.383 1.00 0.00 H new ATOM 1110 N PRO F 20 117.617 -6.863 4.212 1.00 0.00 N ATOM 1111 CA PRO F 20 118.248 -8.020 3.504 1.00 0.00 C ATOM 1112 C PRO F 20 117.296 -9.209 3.320 1.00 0.00 C ATOM 1113 O PRO F 20 117.122 -9.704 2.204 1.00 0.00 O ATOM 1114 CB PRO F 20 119.411 -8.392 4.426 1.00 0.00 C ATOM 1115 CG PRO F 20 118.958 -8.025 5.804 1.00 0.00 C ATOM 1116 CD PRO F 20 117.923 -6.902 5.658 1.00 0.00 C ATOM 0 HA PRO F 20 118.548 -7.760 2.489 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.642 -9.455 4.358 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.317 -7.851 4.153 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.521 -8.887 6.308 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.801 -7.695 6.411 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.029 -7.108 6.247 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.321 -5.948 6.005 1.00 0.00 H new ATOM 1124 N ASN F 21 116.704 -9.672 4.428 1.00 0.00 N ATOM 1125 CA ASN F 21 115.786 -10.825 4.396 1.00 0.00 C ATOM 1126 C ASN F 21 114.391 -10.432 3.893 1.00 0.00 C ATOM 1127 O ASN F 21 113.484 -11.269 3.856 1.00 0.00 O ATOM 1128 CB ASN F 21 115.654 -11.425 5.804 1.00 0.00 C ATOM 1129 CG ASN F 21 117.012 -11.863 6.349 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.851 -12.383 5.612 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.272 -11.688 7.614 1.00 0.00 N ATOM 0 H ASN F 21 116.841 -9.270 5.355 1.00 0.00 H new ATOM 0 HA ASN F 21 116.207 -11.557 3.706 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.210 -10.690 6.475 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.978 -12.280 5.776 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.171 -11.982 7.995 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.576 -11.257 8.223 1.00 0.00 H new ATOM 1138 N LEU F 22 114.227 -9.166 3.514 1.00 0.00 N ATOM 1139 CA LEU F 22 112.941 -8.670 3.024 1.00 0.00 C ATOM 1140 C LEU F 22 112.721 -9.109 1.573 1.00 0.00 C ATOM 1141 O LEU F 22 113.656 -9.083 0.767 1.00 0.00 O ATOM 1142 CB LEU F 22 112.928 -7.138 3.116 1.00 0.00 C ATOM 1143 CG LEU F 22 111.503 -6.625 3.418 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.389 -6.229 4.908 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.200 -5.408 2.529 1.00 0.00 C ATOM 0 H LEU F 22 114.968 -8.465 3.537 1.00 0.00 H new ATOM 0 HA LEU F 22 112.137 -9.082 3.635 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.612 -6.809 3.898 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.284 -6.709 2.180 1.00 0.00 H new ATOM 0 HG LEU F 22 110.783 -7.416 3.208 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.381 -5.868 5.113 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.597 -7.098 5.532 1.00 0.00 H new ATOM 0 HD13 LEU F 22 112.108 -5.441 5.131 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.194 -5.044 2.741 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.922 -4.618 2.735 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.268 -5.698 1.480 1.00 0.00 H new ATOM 1157 N ASN F 23 111.483 -9.502 1.242 1.00 0.00 N ATOM 1158 CA ASN F 23 111.165 -9.933 -0.121 1.00 0.00 C ATOM 1159 C ASN F 23 111.107 -8.713 -1.044 1.00 0.00 C ATOM 1160 O ASN F 23 110.757 -7.618 -0.595 1.00 0.00 O ATOM 1161 CB ASN F 23 109.819 -10.672 -0.144 1.00 0.00 C ATOM 1162 CG ASN F 23 109.949 -12.019 0.562 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.913 -13.067 -0.083 1.00 0.00 O ATOM 1164 ND2 ASN F 23 110.098 -12.056 1.856 1.00 0.00 N ATOM 0 H ASN F 23 110.697 -9.530 1.891 1.00 0.00 H new ATOM 0 HA ASN F 23 111.942 -10.613 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.055 -10.068 0.346 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.495 -10.822 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN F 23 110.185 -12.953 2.334 1.00 0.00 H new ATOM 0 HD22 ASN F 23 110.128 -11.188 2.391 1.00 0.00 H new ATOM 1171 N PRO F 24 111.445 -8.858 -2.312 1.00 0.00 N ATOM 1172 CA PRO F 24 111.418 -7.711 -3.266 1.00 0.00 C ATOM 1173 C PRO F 24 110.002 -7.178 -3.436 1.00 0.00 C ATOM 1174 O PRO F 24 109.795 -5.966 -3.549 1.00 0.00 O ATOM 1175 CB PRO F 24 111.978 -8.289 -4.572 1.00 0.00 C ATOM 1176 CG PRO F 24 111.768 -9.765 -4.466 1.00 0.00 C ATOM 1177 CD PRO F 24 111.870 -10.104 -2.978 1.00 0.00 C ATOM 0 HA PRO F 24 112.004 -6.859 -2.919 1.00 0.00 H new ATOM 0 HB2 PRO F 24 111.460 -7.878 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO F 24 113.035 -8.048 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.794 -10.049 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.518 -10.307 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO F 24 111.225 -10.942 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.886 -10.382 -2.698 1.00 0.00 H new ATOM 1185 N ASP F 25 109.025 -8.089 -3.401 1.00 0.00 N ATOM 1186 CA ASP F 25 107.622 -7.693 -3.492 1.00 0.00 C ATOM 1187 C ASP F 25 107.308 -6.803 -2.290 1.00 0.00 C ATOM 1188 O ASP F 25 106.577 -5.814 -2.401 1.00 0.00 O ATOM 1189 CB ASP F 25 106.710 -8.930 -3.493 1.00 0.00 C ATOM 1190 CG ASP F 25 106.964 -9.778 -4.744 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.683 -9.298 -5.832 1.00 0.00 O ATOM 1192 OD2 ASP F 25 107.433 -10.897 -4.596 1.00 0.00 O ATOM 0 H ASP F 25 109.179 -9.093 -3.311 1.00 0.00 H new ATOM 0 HA ASP F 25 107.445 -7.152 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.893 -9.526 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.665 -8.620 -3.462 1.00 0.00 H new ATOM 1197 N GLN F 26 107.911 -7.159 -1.148 1.00 0.00 N ATOM 1198 CA GLN F 26 107.753 -6.403 0.077 1.00 0.00 C ATOM 1199 C GLN F 26 108.374 -5.011 -0.099 1.00 0.00 C ATOM 1200 O GLN F 26 107.820 -4.016 0.375 1.00 0.00 O ATOM 1201 CB GLN F 26 108.432 -7.156 1.227 1.00 0.00 C ATOM 1202 CG GLN F 26 107.826 -6.726 2.563 1.00 0.00 C ATOM 1203 CD GLN F 26 106.423 -7.312 2.714 1.00 0.00 C ATOM 1204 OE1 GLN F 26 106.269 -8.525 2.853 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.386 -6.519 2.696 1.00 0.00 N ATOM 0 H GLN F 26 108.516 -7.975 -1.059 1.00 0.00 H new ATOM 0 HA GLN F 26 106.695 -6.286 0.310 1.00 0.00 H new ATOM 0 HB2 GLN F 26 108.309 -8.231 1.092 1.00 0.00 H new ATOM 0 HB3 GLN F 26 109.503 -6.954 1.222 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.460 -7.062 3.384 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.783 -5.638 2.619 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.515 -5.514 2.581 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.447 -6.905 2.797 1.00 0.00 H new ATOM 1214 N LEU F 27 109.525 -4.953 -0.799 1.00 0.00 N ATOM 1215 CA LEU F 27 110.207 -3.676 -1.047 1.00 0.00 C ATOM 1216 C LEU F 27 109.324 -2.747 -1.877 1.00 0.00 C ATOM 1217 O LEU F 27 109.281 -1.546 -1.620 1.00 0.00 O ATOM 1218 CB LEU F 27 111.548 -3.883 -1.780 1.00 0.00 C ATOM 1219 CG LEU F 27 112.598 -4.519 -0.850 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.853 -4.873 -1.660 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.985 -3.528 0.263 1.00 0.00 C ATOM 0 H LEU F 27 109.994 -5.767 -1.196 1.00 0.00 H new ATOM 0 HA LEU F 27 110.405 -3.224 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.395 -4.521 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.916 -2.925 -2.148 1.00 0.00 H new ATOM 0 HG LEU F 27 112.176 -5.420 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.596 -5.323 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.591 -5.579 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.265 -3.968 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.728 -3.986 0.916 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.401 -2.625 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.100 -3.271 0.845 1.00 0.00 H new ATOM 1233 N CYS F 28 108.618 -3.302 -2.871 1.00 0.00 N ATOM 1234 CA CYS F 28 107.737 -2.485 -3.717 1.00 0.00 C ATOM 1235 C CYS F 28 106.641 -1.842 -2.868 1.00 0.00 C ATOM 1236 O CYS F 28 106.366 -0.646 -2.998 1.00 0.00 O ATOM 1237 CB CYS F 28 107.105 -3.341 -4.822 1.00 0.00 C ATOM 1238 SG CYS F 28 108.358 -3.750 -6.064 1.00 0.00 S ATOM 0 H CYS F 28 108.638 -4.294 -3.107 1.00 0.00 H new ATOM 0 HA CYS F 28 108.336 -1.701 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS F 28 106.689 -4.254 -4.396 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.280 -2.802 -5.287 1.00 0.00 H new ATOM 1243 N ALA F 29 106.046 -2.641 -1.981 1.00 0.00 N ATOM 1244 CA ALA F 29 105.004 -2.145 -1.086 1.00 0.00 C ATOM 1245 C ALA F 29 105.599 -1.119 -0.122 1.00 0.00 C ATOM 1246 O ALA F 29 104.976 -0.097 0.180 1.00 0.00 O ATOM 1247 CB ALA F 29 104.399 -3.310 -0.293 1.00 0.00 C ATOM 0 H ALA F 29 106.268 -3.630 -1.865 1.00 0.00 H new ATOM 0 HA ALA F 29 104.221 -1.672 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.623 -2.933 0.373 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.965 -4.034 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.179 -3.793 0.296 1.00 0.00 H new ATOM 1253 N PHE F 30 106.814 -1.413 0.350 1.00 0.00 N ATOM 1254 CA PHE F 30 107.518 -0.535 1.282 1.00 0.00 C ATOM 1255 C PHE F 30 107.823 0.819 0.635 1.00 0.00 C ATOM 1256 O PHE F 30 107.457 1.862 1.178 1.00 0.00 O ATOM 1257 CB PHE F 30 108.825 -1.228 1.717 1.00 0.00 C ATOM 1258 CG PHE F 30 109.708 -0.288 2.521 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.208 0.333 3.675 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.033 -0.041 2.110 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.022 1.195 4.414 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.841 0.822 2.854 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.335 1.440 4.004 1.00 0.00 C ATOM 0 H PHE F 30 107.330 -2.256 0.099 1.00 0.00 H new ATOM 0 HA PHE F 30 106.887 -0.349 2.151 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.590 -2.109 2.314 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.366 -1.574 0.836 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.193 0.145 3.992 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.423 -0.517 1.223 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.636 1.672 5.303 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.857 1.013 2.542 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.962 2.108 4.576 1.00 0.00 H new ATOM 1273 N ILE F 31 108.487 0.785 -0.522 1.00 0.00 N ATOM 1274 CA ILE F 31 108.850 2.011 -1.240 1.00 0.00 C ATOM 1275 C ILE F 31 107.608 2.829 -1.581 1.00 0.00 C ATOM 1276 O ILE F 31 107.615 4.058 -1.452 1.00 0.00 O ATOM 1277 CB ILE F 31 109.645 1.663 -2.512 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.963 0.977 -2.105 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.971 2.940 -3.306 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.675 0.407 -3.335 1.00 0.00 C ATOM 0 H ILE F 31 108.784 -0.075 -0.982 1.00 0.00 H new ATOM 0 HA ILE F 31 109.481 2.620 -0.592 1.00 0.00 H new ATOM 0 HB ILE F 31 109.046 0.999 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.612 1.694 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.759 0.177 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.533 2.678 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.044 3.437 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.567 3.611 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.604 -0.074 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.031 -0.326 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.898 1.214 -4.033 1.00 0.00 H new ATOM 1292 N HIS F 32 106.541 2.143 -1.999 1.00 0.00 N ATOM 1293 CA HIS F 32 105.286 2.815 -2.338 1.00 0.00 C ATOM 1294 C HIS F 32 104.778 3.603 -1.128 1.00 0.00 C ATOM 1295 O HIS F 32 104.275 4.721 -1.269 1.00 0.00 O ATOM 1296 CB HIS F 32 104.234 1.781 -2.768 1.00 0.00 C ATOM 1297 CG HIS F 32 103.104 2.461 -3.495 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.187 3.281 -2.854 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.722 2.438 -4.815 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.307 3.708 -3.780 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.589 3.225 -4.992 1.00 0.00 N ATOM 0 H HIS F 32 106.521 1.129 -2.110 1.00 0.00 H new ATOM 0 HA HIS F 32 105.463 3.503 -3.165 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.692 1.032 -3.413 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.850 1.257 -1.893 1.00 0.00 H new ATOM 0 HD1 HIS F 32 102.180 3.518 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.226 1.891 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.474 4.362 -3.568 1.00 0.00 H new ATOM 1310 N SER F 33 104.930 3.004 0.061 1.00 0.00 N ATOM 1311 CA SER F 33 104.500 3.643 1.305 1.00 0.00 C ATOM 1312 C SER F 33 105.326 4.905 1.590 1.00 0.00 C ATOM 1313 O SER F 33 104.780 5.908 2.061 1.00 0.00 O ATOM 1314 CB SER F 33 104.619 2.660 2.476 1.00 0.00 C ATOM 1315 OG SER F 33 103.927 1.458 2.156 1.00 0.00 O ATOM 0 H SER F 33 105.346 2.081 0.184 1.00 0.00 H new ATOM 0 HA SER F 33 103.456 3.936 1.191 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.668 2.445 2.680 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.202 3.103 3.381 1.00 0.00 H new ATOM 0 HG SER F 33 104.432 0.960 1.480 1.00 0.00 H new ATOM 1321 N LEU F 34 106.640 4.854 1.299 1.00 0.00 N ATOM 1322 CA LEU F 34 107.525 6.009 1.527 1.00 0.00 C ATOM 1323 C LEU F 34 107.031 7.212 0.712 1.00 0.00 C ATOM 1324 O LEU F 34 107.054 8.350 1.187 1.00 0.00 O ATOM 1325 CB LEU F 34 108.980 5.692 1.104 1.00 0.00 C ATOM 1326 CG LEU F 34 109.505 4.414 1.784 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.932 4.111 1.287 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.520 4.601 3.307 1.00 0.00 C ATOM 0 H LEU F 34 107.107 4.035 0.910 1.00 0.00 H new ATOM 0 HA LEU F 34 107.506 6.237 2.593 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.027 5.574 0.021 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.625 6.532 1.361 1.00 0.00 H new ATOM 0 HG LEU F 34 108.849 3.581 1.532 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.301 3.206 1.770 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.918 3.966 0.207 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.588 4.946 1.532 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.892 3.693 3.781 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.170 5.438 3.564 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.509 4.805 3.658 1.00 0.00 H new ATOM 1340 N HIS F 35 106.601 6.933 -0.523 1.00 0.00 N ATOM 1341 CA HIS F 35 106.110 7.969 -1.436 1.00 0.00 C ATOM 1342 C HIS F 35 104.720 8.484 -1.032 1.00 0.00 C ATOM 1343 O HIS F 35 104.437 9.677 -1.169 1.00 0.00 O ATOM 1344 CB HIS F 35 106.059 7.403 -2.865 1.00 0.00 C ATOM 1345 CG HIS F 35 105.751 8.504 -3.849 1.00 0.00 C ATOM 1346 ND1 HIS F 35 104.461 8.964 -4.063 1.00 0.00 N ATOM 1347 CD2 HIS F 35 106.555 9.241 -4.684 1.00 0.00 C ATOM 1348 CE1 HIS F 35 104.526 9.936 -4.992 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.779 10.144 -5.405 1.00 0.00 N ATOM 0 H HIS F 35 106.584 5.991 -0.915 1.00 0.00 H new ATOM 0 HA HIS F 35 106.798 8.813 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.013 6.938 -3.114 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.299 6.625 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS F 35 107.627 9.136 -4.768 1.00 0.00 H new ATOM 0 HE1 HIS F 35 103.669 10.481 -5.359 1.00 0.00 H new ATOM 0 HE2 HIS F 35 106.099 10.819 -6.099 1.00 0.00 H new ATOM 1358 N ASP F 36 103.852 7.573 -0.569 1.00 0.00 N ATOM 1359 CA ASP F 36 102.482 7.940 -0.184 1.00 0.00 C ATOM 1360 C ASP F 36 102.459 9.054 0.863 1.00 0.00 C ATOM 1361 O ASP F 36 101.579 9.917 0.826 1.00 0.00 O ATOM 1362 CB ASP F 36 101.733 6.716 0.369 1.00 0.00 C ATOM 1363 CG ASP F 36 101.506 5.651 -0.718 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.347 6.013 -1.875 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.477 4.480 -0.371 1.00 0.00 O ATOM 0 H ASP F 36 104.072 6.584 -0.453 1.00 0.00 H new ATOM 0 HA ASP F 36 101.987 8.305 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.302 6.282 1.191 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.772 7.031 0.777 1.00 0.00 H new ATOM 1370 N ASP F 37 103.412 9.024 1.796 1.00 0.00 N ATOM 1371 CA ASP F 37 103.479 10.036 2.853 1.00 0.00 C ATOM 1372 C ASP F 37 104.906 10.122 3.423 1.00 0.00 C ATOM 1373 O ASP F 37 105.348 9.206 4.126 1.00 0.00 O ATOM 1374 CB ASP F 37 102.479 9.681 3.972 1.00 0.00 C ATOM 1375 CG ASP F 37 102.150 10.896 4.859 1.00 0.00 C ATOM 1376 OD1 ASP F 37 102.971 11.801 4.962 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.076 10.895 5.441 1.00 0.00 O ATOM 0 H ASP F 37 104.144 8.315 1.842 1.00 0.00 H new ATOM 0 HA ASP F 37 103.217 11.007 2.433 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.560 9.297 3.529 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.893 8.884 4.589 1.00 0.00 H new ATOM 1382 N PRO F 38 105.634 11.190 3.133 1.00 0.00 N ATOM 1383 CA PRO F 38 107.037 11.369 3.632 1.00 0.00 C ATOM 1384 C PRO F 38 107.150 11.226 5.153 1.00 0.00 C ATOM 1385 O PRO F 38 108.118 10.654 5.654 1.00 0.00 O ATOM 1386 CB PRO F 38 107.413 12.791 3.191 1.00 0.00 C ATOM 1387 CG PRO F 38 106.502 13.112 2.053 1.00 0.00 C ATOM 1388 CD PRO F 38 105.212 12.334 2.298 1.00 0.00 C ATOM 0 HA PRO F 38 107.700 10.602 3.231 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.285 13.501 4.008 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.458 12.843 2.884 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.306 14.183 2.003 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.953 12.826 1.103 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.468 12.946 2.807 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.764 12.000 1.362 1.00 0.00 H new ATOM 1396 N SER F 39 106.161 11.750 5.880 1.00 0.00 N ATOM 1397 CA SER F 39 106.176 11.676 7.345 1.00 0.00 C ATOM 1398 C SER F 39 106.110 10.223 7.826 1.00 0.00 C ATOM 1399 O SER F 39 106.736 9.867 8.829 1.00 0.00 O ATOM 1400 CB SER F 39 105.000 12.472 7.927 1.00 0.00 C ATOM 1401 OG SER F 39 103.776 11.823 7.607 1.00 0.00 O ATOM 0 H SER F 39 105.349 12.225 5.486 1.00 0.00 H new ATOM 0 HA SER F 39 107.113 12.110 7.694 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.106 12.557 9.009 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.001 13.486 7.526 1.00 0.00 H new ATOM 0 HG SER F 39 103.620 11.877 6.641 1.00 0.00 H new ATOM 1407 N GLN F 40 105.342 9.394 7.110 1.00 0.00 N ATOM 1408 CA GLN F 40 105.187 7.981 7.470 1.00 0.00 C ATOM 1409 C GLN F 40 106.462 7.176 7.246 1.00 0.00 C ATOM 1410 O GLN F 40 106.617 6.120 7.845 1.00 0.00 O ATOM 1411 CB GLN F 40 104.043 7.338 6.673 1.00 0.00 C ATOM 1412 CG GLN F 40 102.699 7.868 7.180 1.00 0.00 C ATOM 1413 CD GLN F 40 101.544 7.222 6.412 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.383 6.001 6.438 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.721 7.974 5.734 1.00 0.00 N ATOM 0 H GLN F 40 104.820 9.676 6.281 1.00 0.00 H new ATOM 0 HA GLN F 40 104.957 7.961 8.535 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.156 7.561 5.612 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.080 6.254 6.776 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.597 7.659 8.245 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.661 8.951 7.063 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.854 8.985 5.712 1.00 0.00 H new ATOM 0 HE22 GLN F 40 99.945 7.551 5.226 1.00 0.00 H new ATOM 1424 N SER F 41 107.350 7.646 6.360 1.00 0.00 N ATOM 1425 CA SER F 41 108.587 6.906 6.050 1.00 0.00 C ATOM 1426 C SER F 41 109.306 6.446 7.323 1.00 0.00 C ATOM 1427 O SER F 41 109.767 5.309 7.399 1.00 0.00 O ATOM 1428 CB SER F 41 109.529 7.779 5.213 1.00 0.00 C ATOM 1429 OG SER F 41 110.013 8.855 6.006 1.00 0.00 O ATOM 0 H SER F 41 107.241 8.523 5.850 1.00 0.00 H new ATOM 0 HA SER F 41 108.306 6.020 5.481 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.363 7.182 4.844 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.003 8.165 4.340 1.00 0.00 H new ATOM 0 HG SER F 41 109.284 9.486 6.182 1.00 0.00 H new ATOM 1435 N ALA F 42 109.377 7.329 8.314 1.00 0.00 N ATOM 1436 CA ALA F 42 110.027 7.010 9.588 1.00 0.00 C ATOM 1437 C ALA F 42 109.323 5.841 10.287 1.00 0.00 C ATOM 1438 O ALA F 42 109.971 4.864 10.676 1.00 0.00 O ATOM 1439 CB ALA F 42 110.014 8.241 10.502 1.00 0.00 C ATOM 0 H ALA F 42 108.993 8.273 8.263 1.00 0.00 H new ATOM 0 HA ALA F 42 111.057 6.718 9.382 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.499 7.997 11.447 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.550 9.058 10.019 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.984 8.544 10.690 1.00 0.00 H new ATOM 1445 N ASN F 43 107.995 5.940 10.435 1.00 0.00 N ATOM 1446 CA ASN F 43 107.218 4.873 11.076 1.00 0.00 C ATOM 1447 C ASN F 43 107.298 3.594 10.243 1.00 0.00 C ATOM 1448 O ASN F 43 107.419 2.490 10.782 1.00 0.00 O ATOM 1449 CB ASN F 43 105.752 5.295 11.230 1.00 0.00 C ATOM 1450 CG ASN F 43 105.642 6.464 12.206 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.188 7.548 11.836 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.030 6.307 13.441 1.00 0.00 N ATOM 0 H ASN F 43 107.442 6.739 10.123 1.00 0.00 H new ATOM 0 HA ASN F 43 107.638 4.687 12.065 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.344 5.581 10.261 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.159 4.454 11.590 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.958 7.082 14.101 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.406 5.410 13.747 1.00 0.00 H new ATOM 1459 N LEU F 44 107.248 3.769 8.924 1.00 0.00 N ATOM 1460 CA LEU F 44 107.332 2.653 7.989 1.00 0.00 C ATOM 1461 C LEU F 44 108.685 1.976 8.122 1.00 0.00 C ATOM 1462 O LEU F 44 108.788 0.760 7.985 1.00 0.00 O ATOM 1463 CB LEU F 44 107.152 3.157 6.553 1.00 0.00 C ATOM 1464 CG LEU F 44 105.722 3.688 6.352 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.677 4.570 5.097 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.754 2.506 6.185 1.00 0.00 C ATOM 0 H LEU F 44 107.149 4.681 8.478 1.00 0.00 H new ATOM 0 HA LEU F 44 106.542 1.938 8.219 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.874 3.947 6.344 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.350 2.349 5.849 1.00 0.00 H new ATOM 0 HG LEU F 44 105.427 4.277 7.221 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.664 4.947 4.953 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.363 5.409 5.217 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.972 3.982 4.228 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.741 2.883 6.043 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.047 1.916 5.317 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.786 1.880 7.077 1.00 0.00 H new ATOM 1478 N LEU F 45 109.714 2.781 8.400 1.00 0.00 N ATOM 1479 CA LEU F 45 111.067 2.261 8.570 1.00 0.00 C ATOM 1480 C LEU F 45 111.109 1.306 9.758 1.00 0.00 C ATOM 1481 O LEU F 45 111.765 0.269 9.703 1.00 0.00 O ATOM 1482 CB LEU F 45 112.060 3.420 8.790 1.00 0.00 C ATOM 1483 CG LEU F 45 112.998 3.541 7.580 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.215 4.075 6.366 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.156 4.507 7.896 1.00 0.00 C ATOM 0 H LEU F 45 109.633 3.792 8.511 1.00 0.00 H new ATOM 0 HA LEU F 45 111.353 1.721 7.667 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.516 4.354 8.935 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.641 3.246 9.696 1.00 0.00 H new ATOM 0 HG LEU F 45 113.403 2.555 7.354 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.884 4.159 5.510 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.403 3.388 6.126 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.802 5.056 6.602 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.813 4.583 7.030 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.754 5.492 8.134 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.722 4.130 8.748 1.00 0.00 H new ATOM 1497 N ALA F 46 110.390 1.665 10.823 1.00 0.00 N ATOM 1498 CA ALA F 46 110.342 0.833 12.020 1.00 0.00 C ATOM 1499 C ALA F 46 109.689 -0.512 11.709 1.00 0.00 C ATOM 1500 O ALA F 46 110.239 -1.563 12.048 1.00 0.00 O ATOM 1501 CB ALA F 46 109.550 1.551 13.121 1.00 0.00 C ATOM 0 H ALA F 46 109.838 2.521 10.879 1.00 0.00 H new ATOM 0 HA ALA F 46 111.361 0.657 12.363 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.517 0.925 14.013 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.035 2.498 13.360 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.534 1.741 12.774 1.00 0.00 H new ATOM 1507 N GLU F 47 108.519 -0.473 11.062 1.00 0.00 N ATOM 1508 CA GLU F 47 107.808 -1.706 10.716 1.00 0.00 C ATOM 1509 C GLU F 47 108.559 -2.493 9.651 1.00 0.00 C ATOM 1510 O GLU F 47 108.609 -3.714 9.716 1.00 0.00 O ATOM 1511 CB GLU F 47 106.408 -1.413 10.189 1.00 0.00 C ATOM 1512 CG GLU F 47 105.549 -0.753 11.282 1.00 0.00 C ATOM 1513 CD GLU F 47 104.097 -0.531 10.813 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.856 -0.506 9.611 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.242 -0.386 11.672 1.00 0.00 O ATOM 0 H GLU F 47 108.051 0.386 10.772 1.00 0.00 H new ATOM 0 HA GLU F 47 107.740 -2.292 11.633 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.470 -0.757 9.321 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.937 -2.338 9.857 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.551 -1.380 12.174 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.990 0.203 11.563 1.00 0.00 H new ATOM 1522 N ALA F 48 109.136 -1.783 8.673 1.00 0.00 N ATOM 1523 CA ALA F 48 109.891 -2.424 7.594 1.00 0.00 C ATOM 1524 C ALA F 48 111.094 -3.139 8.183 1.00 0.00 C ATOM 1525 O ALA F 48 111.354 -4.309 7.882 1.00 0.00 O ATOM 1526 CB ALA F 48 110.358 -1.366 6.587 1.00 0.00 C ATOM 0 H ALA F 48 109.093 -0.766 8.609 1.00 0.00 H new ATOM 0 HA ALA F 48 109.254 -3.144 7.081 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.919 -1.848 5.787 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.491 -0.856 6.166 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.996 -0.640 7.091 1.00 0.00 H new ATOM 1532 N LYS F 49 111.794 -2.425 9.065 1.00 0.00 N ATOM 1533 CA LYS F 49 112.943 -2.973 9.754 1.00 0.00 C ATOM 1534 C LYS F 49 112.492 -4.137 10.643 1.00 0.00 C ATOM 1535 O LYS F 49 113.183 -5.153 10.752 1.00 0.00 O ATOM 1536 CB LYS F 49 113.598 -1.878 10.602 1.00 0.00 C ATOM 1537 CG LYS F 49 114.952 -2.375 11.122 1.00 0.00 C ATOM 1538 CD LYS F 49 115.215 -1.799 12.519 1.00 0.00 C ATOM 1539 CE LYS F 49 115.585 -0.313 12.422 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.881 0.219 13.784 1.00 0.00 N ATOM 0 H LYS F 49 111.576 -1.460 9.314 1.00 0.00 H new ATOM 0 HA LYS F 49 113.670 -3.340 9.030 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.734 -0.975 10.007 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.950 -1.614 11.438 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.960 -3.464 11.160 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.747 -2.075 10.439 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.329 -1.920 13.142 1.00 0.00 H new ATOM 0 HD3 LYS F 49 116.022 -2.351 13.001 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.452 -0.185 11.774 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.766 0.248 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.082 1.238 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 115.060 0.065 14.403 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.708 -0.274 14.177 1.00 0.00 H new ATOM 1554 N LYS F 50 111.298 -3.990 11.238 1.00 0.00 N ATOM 1555 CA LYS F 50 110.725 -5.040 12.077 1.00 0.00 C ATOM 1556 C LYS F 50 110.380 -6.223 11.187 1.00 0.00 C ATOM 1557 O LYS F 50 110.500 -7.380 11.584 1.00 0.00 O ATOM 1558 CB LYS F 50 109.473 -4.501 12.796 1.00 0.00 C ATOM 1559 CG LYS F 50 108.821 -5.587 13.670 1.00 0.00 C ATOM 1560 CD LYS F 50 107.529 -5.048 14.309 1.00 0.00 C ATOM 1561 CE LYS F 50 107.846 -3.864 15.234 1.00 0.00 C ATOM 1562 NZ LYS F 50 106.721 -3.672 16.195 1.00 0.00 N ATOM 0 H LYS F 50 110.717 -3.156 11.151 1.00 0.00 H new ATOM 0 HA LYS F 50 111.436 -5.359 12.839 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.746 -3.647 13.416 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.754 -4.143 12.060 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.597 -6.466 13.065 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.516 -5.904 14.448 1.00 0.00 H new ATOM 0 HD2 LYS F 50 106.834 -4.734 13.530 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.038 -5.839 14.875 1.00 0.00 H new ATOM 0 HE2 LYS F 50 108.774 -4.049 15.775 1.00 0.00 H new ATOM 0 HE3 LYS F 50 107.995 -2.958 14.646 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 106.934 -2.870 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.845 -3.477 15.669 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 106.599 -4.534 16.764 1.00 0.00 H new ATOM 1576 N LEU F 51 109.957 -5.900 9.969 1.00 0.00 N ATOM 1577 CA LEU F 51 109.591 -6.901 8.987 1.00 0.00 C ATOM 1578 C LEU F 51 110.813 -7.732 8.631 1.00 0.00 C ATOM 1579 O LEU F 51 110.726 -8.950 8.492 1.00 0.00 O ATOM 1580 CB LEU F 51 109.042 -6.201 7.741 1.00 0.00 C ATOM 1581 CG LEU F 51 108.061 -7.114 7.004 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.870 -7.443 7.920 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.565 -6.386 5.752 1.00 0.00 C ATOM 0 H LEU F 51 109.860 -4.939 9.641 1.00 0.00 H new ATOM 0 HA LEU F 51 108.825 -7.561 9.394 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.542 -5.275 8.027 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.863 -5.928 7.078 1.00 0.00 H new ATOM 0 HG LEU F 51 108.556 -8.044 6.723 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.173 -8.094 7.391 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.229 -7.948 8.817 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.362 -6.521 8.202 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.864 -7.024 5.214 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.066 -5.462 6.042 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.412 -6.153 5.107 1.00 0.00 H new ATOM 1595 N ASN F 52 111.960 -7.055 8.526 1.00 0.00 N ATOM 1596 CA ASN F 52 113.226 -7.724 8.236 1.00 0.00 C ATOM 1597 C ASN F 52 113.493 -8.749 9.348 1.00 0.00 C ATOM 1598 O ASN F 52 113.944 -9.867 9.085 1.00 0.00 O ATOM 1599 CB ASN F 52 114.353 -6.661 8.123 1.00 0.00 C ATOM 1600 CG ASN F 52 115.537 -6.984 9.031 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.440 -7.728 8.652 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.570 -6.460 10.215 1.00 0.00 N ATOM 0 H ASN F 52 112.035 -6.044 8.638 1.00 0.00 H new ATOM 0 HA ASN F 52 113.189 -8.255 7.285 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.694 -6.603 7.089 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.954 -5.680 8.383 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.349 -6.663 10.841 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.817 -5.844 10.521 1.00 0.00 H new ATOM 1609 N ASP F 53 113.170 -8.350 10.584 1.00 0.00 N ATOM 1610 CA ASP F 53 113.326 -9.220 11.749 1.00 0.00 C ATOM 1611 C ASP F 53 112.253 -10.319 11.741 1.00 0.00 C ATOM 1612 O ASP F 53 112.492 -11.439 12.201 1.00 0.00 O ATOM 1613 CB ASP F 53 113.222 -8.391 13.045 1.00 0.00 C ATOM 1614 CG ASP F 53 114.344 -7.343 13.118 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.497 -7.709 12.931 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.034 -6.189 13.365 1.00 0.00 O ATOM 0 H ASP F 53 112.798 -7.425 10.800 1.00 0.00 H new ATOM 0 HA ASP F 53 114.309 -9.690 11.706 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.252 -7.895 13.087 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.280 -9.052 13.910 1.00 0.00 H new ATOM 1621 N ALA F 54 111.067 -9.974 11.223 1.00 0.00 N ATOM 1622 CA ALA F 54 109.935 -10.908 11.153 1.00 0.00 C ATOM 1623 C ALA F 54 110.127 -11.957 10.050 1.00 0.00 C ATOM 1624 O ALA F 54 109.707 -13.107 10.203 1.00 0.00 O ATOM 1625 CB ALA F 54 108.641 -10.130 10.892 1.00 0.00 C ATOM 0 H ALA F 54 110.866 -9.049 10.844 1.00 0.00 H new ATOM 0 HA ALA F 54 109.877 -11.430 12.108 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.803 -10.825 10.840 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.474 -9.419 11.702 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.724 -9.591 9.948 1.00 0.00 H new ATOM 1631 N GLN F 55 110.752 -11.543 8.941 1.00 0.00 N ATOM 1632 CA GLN F 55 110.992 -12.438 7.800 1.00 0.00 C ATOM 1633 C GLN F 55 112.376 -13.074 7.895 1.00 0.00 C ATOM 1634 O GLN F 55 112.734 -13.933 7.087 1.00 0.00 O ATOM 1635 CB GLN F 55 110.892 -11.656 6.483 1.00 0.00 C ATOM 1636 CG GLN F 55 109.468 -11.099 6.315 1.00 0.00 C ATOM 1637 CD GLN F 55 109.328 -10.338 4.989 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.188 -10.429 4.112 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.283 -9.585 4.791 1.00 0.00 N ATOM 0 H GLN F 55 111.101 -10.594 8.809 1.00 0.00 H new ATOM 0 HA GLN F 55 110.234 -13.221 7.822 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.615 -10.840 6.478 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.140 -12.306 5.644 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.748 -11.916 6.347 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.233 -10.434 7.146 1.00 0.00 H new ATOM 0 HE21 GLN F 55 107.567 -9.506 5.513 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.181 -9.075 3.914 1.00 0.00 H new ATOM 1648 N ALA F 56 113.144 -12.622 8.880 1.00 0.00 N ATOM 1649 CA ALA F 56 114.495 -13.103 9.105 1.00 0.00 C ATOM 1650 C ALA F 56 114.525 -14.607 9.385 1.00 0.00 C ATOM 1651 O ALA F 56 113.489 -15.226 9.647 1.00 0.00 O ATOM 1652 CB ALA F 56 115.107 -12.345 10.289 1.00 0.00 C ATOM 0 H ALA F 56 112.843 -11.910 9.545 1.00 0.00 H new ATOM 0 HA ALA F 56 115.075 -12.925 8.199 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.122 -12.701 10.464 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.130 -11.278 10.065 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.504 -12.516 11.181 1.00 0.00 H new