USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=17 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 :FLIP amide:sc= -0.0472 F(o=-4.6,f=-2.8) USER MOD Set 1.2: F 55 GLN : amide:sc= -2.73 K(o=-2.8,f=-6.6!) USER MOD Set 2.1: E 23 ASN : amide:sc= 0.333 K(o=1.1,f=-8.7!) USER MOD Set 2.2: E 55 GLN : amide:sc= 0.745 K(o=1.1,f=-1.7) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -157:sc= 0 (180deg=-0.196) USER MOD Single : E 18 TYR OH : rot 143:sc= 1.17 USER MOD Single : E 21 ASN : amide:sc= -1.87! X(o=-1.9!,f=-1.9) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.682 F(o=-2.3,f=-0.68) USER MOD Single : E 32 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : E 33 SER OG : rot 180:sc= 0 USER MOD Single : E 35 HIS : no HE2:sc= 0.584 K(o=0.58,f=-4.3!) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : E 41 SER OG : rot -81:sc= 1.22 USER MOD Single : E 43 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -113:sc= 0.396 (180deg=-0.671) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : F 18 TYR OH : rot -74:sc= 0.894 USER MOD Single : F 21 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.445 F(o=-1.4,f=-0.45) USER MOD Single : F 32 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.8) USER MOD Single : F 33 SER OG : rot 72:sc= 1.23 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : F 39 SER OG : rot -23:sc= 1.23 USER MOD Single : F 40 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.67) USER MOD Single : F 41 SER OG : rot -84:sc= -0.786 USER MOD Single : F 43 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : F 49 LYS NZ :NH3+ 166:sc= 0.637 (180deg=0.417) USER MOD Single : F 50 LYS NZ :NH3+ 151:sc= 0.939 (180deg=0.384) USER MOD Single : F 52 ASN : amide:sc= 0.581 K(o=0.58,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.440 -7.960 -2.692 1.00 0.00 N ATOM 24 CA LEU C 17 122.809 -6.643 -2.763 1.00 0.00 C ATOM 25 C LEU C 17 121.807 -6.505 -1.627 1.00 0.00 C ATOM 26 O LEU C 17 121.206 -7.497 -1.197 1.00 0.00 O ATOM 27 CB LEU C 17 122.106 -6.443 -4.115 1.00 0.00 C ATOM 28 CG LEU C 17 122.955 -5.523 -5.020 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.830 -6.366 -5.965 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.024 -4.593 -5.815 1.00 0.00 C ATOM 0 HA LEU C 17 123.579 -5.878 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.954 -7.407 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.120 -6.005 -3.960 1.00 0.00 H new ATOM 0 HG LEU C 17 123.618 -4.915 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.423 -5.706 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.495 -6.999 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.193 -6.991 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.620 -3.942 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.352 -5.191 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.439 -3.986 -5.124 1.00 0.00 H new ATOM 42 N VAL C 18 121.643 -5.277 -1.134 1.00 0.00 N ATOM 43 CA VAL C 18 120.717 -5.025 -0.025 1.00 0.00 C ATOM 44 C VAL C 18 119.980 -3.710 -0.230 1.00 0.00 C ATOM 45 O VAL C 18 120.606 -2.701 -0.533 1.00 0.00 O ATOM 46 CB VAL C 18 121.492 -4.973 1.309 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.496 -4.967 2.480 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.430 -6.191 1.428 1.00 0.00 C ATOM 0 H VAL C 18 122.131 -4.450 -1.478 1.00 0.00 H new ATOM 0 HA VAL C 18 119.991 -5.837 0.005 1.00 0.00 H new ATOM 0 HB VAL C 18 122.093 -4.064 1.337 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.043 -4.930 3.422 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.848 -4.094 2.402 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.890 -5.873 2.447 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.971 -6.143 2.373 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.842 -7.108 1.393 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.141 -6.185 0.602 1.00 0.00 H new ATOM 58 N PHE C 19 118.657 -3.719 -0.030 1.00 0.00 N ATOM 59 CA PHE C 19 117.855 -2.508 -0.163 1.00 0.00 C ATOM 60 C PHE C 19 117.609 -1.928 1.213 1.00 0.00 C ATOM 61 O PHE C 19 117.131 -2.622 2.113 1.00 0.00 O ATOM 62 CB PHE C 19 116.501 -2.796 -0.843 1.00 0.00 C ATOM 63 CG PHE C 19 116.504 -2.210 -2.238 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.335 -2.776 -3.210 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.689 -1.102 -2.563 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.361 -2.250 -4.501 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.723 -0.581 -3.861 1.00 0.00 C ATOM 68 CZ PHE C 19 116.557 -1.155 -4.827 1.00 0.00 C ATOM 0 H PHE C 19 118.125 -4.551 0.224 1.00 0.00 H new ATOM 0 HA PHE C 19 118.402 -1.801 -0.787 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.326 -3.871 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.689 -2.365 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.958 -3.622 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.046 -0.661 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.003 -2.690 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.104 0.266 -4.118 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.579 -0.750 -5.828 1.00 0.00 H new ATOM 78 N PHE C 20 117.949 -0.660 1.362 1.00 0.00 N ATOM 79 CA PHE C 20 117.778 0.032 2.636 1.00 0.00 C ATOM 80 C PHE C 20 117.213 1.431 2.439 1.00 0.00 C ATOM 81 O PHE C 20 117.296 2.003 1.347 1.00 0.00 O ATOM 82 CB PHE C 20 119.115 0.113 3.368 1.00 0.00 C ATOM 83 CG PHE C 20 120.097 0.918 2.567 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.073 2.314 2.638 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.030 0.269 1.763 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.986 3.060 1.900 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.942 1.011 1.027 1.00 0.00 C ATOM 88 CZ PHE C 20 121.925 2.411 1.092 1.00 0.00 C ATOM 0 H PHE C 20 118.346 -0.085 0.619 1.00 0.00 H new ATOM 0 HA PHE C 20 117.067 -0.538 3.234 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.974 0.568 4.348 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.507 -0.890 3.536 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.347 2.812 3.264 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.044 -0.810 1.712 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.970 4.139 1.951 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.666 0.509 0.403 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.636 2.988 0.519 1.00 0.00 H new ATOM 98 N ALA C 21 116.658 1.977 3.517 1.00 0.00 N ATOM 99 CA ALA C 21 116.094 3.320 3.493 1.00 0.00 C ATOM 100 C ALA C 21 116.814 4.193 4.513 1.00 0.00 C ATOM 101 O ALA C 21 117.025 3.776 5.654 1.00 0.00 O ATOM 102 CB ALA C 21 114.602 3.261 3.803 1.00 0.00 C ATOM 0 H ALA C 21 116.587 1.507 4.420 1.00 0.00 H new ATOM 0 HA ALA C 21 116.226 3.752 2.501 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.186 4.268 3.784 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.099 2.646 3.056 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.453 2.826 4.791 1.00 0.00 H new ATOM 108 N GLU C 22 117.190 5.401 4.087 1.00 0.00 N ATOM 109 CA GLU C 22 117.885 6.345 4.936 1.00 0.00 C ATOM 110 C GLU C 22 116.926 7.458 5.333 1.00 0.00 C ATOM 111 O GLU C 22 116.352 8.106 4.467 1.00 0.00 O ATOM 112 CB GLU C 22 119.074 6.914 4.145 1.00 0.00 C ATOM 113 CG GLU C 22 119.798 7.976 4.969 1.00 0.00 C ATOM 114 CD GLU C 22 120.945 8.588 4.159 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.893 7.872 3.878 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.858 9.761 3.830 1.00 0.00 O ATOM 0 H GLU C 22 117.017 5.743 3.142 1.00 0.00 H new ATOM 0 HA GLU C 22 118.248 5.860 5.842 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.765 6.112 3.886 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.723 7.347 3.209 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.097 8.756 5.266 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.187 7.532 5.885 1.00 0.00 H new ATOM 123 N ASP C 23 116.771 7.683 6.638 1.00 0.00 N ATOM 124 CA ASP C 23 115.885 8.736 7.119 1.00 0.00 C ATOM 125 C ASP C 23 116.586 10.073 6.915 1.00 0.00 C ATOM 126 O ASP C 23 117.642 10.327 7.499 1.00 0.00 O ATOM 127 CB ASP C 23 115.541 8.517 8.606 1.00 0.00 C ATOM 128 CG ASP C 23 114.289 9.315 9.019 1.00 0.00 C ATOM 129 OD1 ASP C 23 114.090 10.412 8.511 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.547 8.817 9.851 1.00 0.00 O ATOM 0 H ASP C 23 117.243 7.155 7.372 1.00 0.00 H new ATOM 0 HA ASP C 23 114.947 8.721 6.563 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.374 7.456 8.790 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.386 8.818 9.224 1.00 0.00 H new ATOM 135 N VAL C 24 116.020 10.889 6.036 1.00 0.00 N ATOM 136 CA VAL C 24 116.610 12.189 5.687 1.00 0.00 C ATOM 137 C VAL C 24 115.696 13.359 6.037 1.00 0.00 C ATOM 138 O VAL C 24 116.098 14.515 5.885 1.00 0.00 O ATOM 139 CB VAL C 24 116.916 12.200 4.177 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.782 10.974 3.843 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.594 12.163 3.366 1.00 0.00 C ATOM 0 H VAL C 24 115.150 10.679 5.546 1.00 0.00 H new ATOM 0 HA VAL C 24 117.522 12.315 6.271 1.00 0.00 H new ATOM 0 HB VAL C 24 117.452 13.111 3.913 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.007 10.967 2.777 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.712 11.020 4.410 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.242 10.064 4.105 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.821 12.171 2.300 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.041 11.257 3.613 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.990 13.035 3.615 1.00 0.00 H new ATOM 183 N LYS C 28 111.030 14.694 2.766 1.00 0.00 N ATOM 184 CA LYS C 28 111.263 13.602 1.820 1.00 0.00 C ATOM 185 C LYS C 28 111.133 12.252 2.526 1.00 0.00 C ATOM 186 O LYS C 28 111.207 11.199 1.885 1.00 0.00 O ATOM 187 CB LYS C 28 112.668 13.722 1.221 1.00 0.00 C ATOM 188 CG LYS C 28 112.782 15.005 0.385 1.00 0.00 C ATOM 189 CD LYS C 28 113.989 14.911 -0.559 1.00 0.00 C ATOM 190 CE LYS C 28 115.293 14.845 0.247 1.00 0.00 C ATOM 191 NZ LYS C 28 116.445 15.150 -0.651 1.00 0.00 N ATOM 0 HA LYS C 28 110.519 13.667 1.026 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.411 13.732 2.018 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.881 12.853 0.598 1.00 0.00 H new ATOM 0 HG2 LYS C 28 111.869 15.155 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS C 28 112.890 15.868 1.042 1.00 0.00 H new ATOM 0 HD2 LYS C 28 113.898 14.026 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.008 15.775 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.261 15.558 1.071 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.412 13.855 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.330 15.106 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.478 14.453 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.331 16.104 -1.050 1.00 0.00 H new ATOM 205 N GLY C 29 110.962 12.295 3.851 1.00 0.00 N ATOM 206 CA GLY C 29 110.853 11.076 4.647 1.00 0.00 C ATOM 207 C GLY C 29 112.197 10.363 4.653 1.00 0.00 C ATOM 208 O GLY C 29 113.105 10.746 5.399 1.00 0.00 O ATOM 0 H GLY C 29 110.897 13.159 4.390 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.551 11.318 5.666 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.084 10.424 4.233 1.00 0.00 H new ATOM 212 N ALA C 30 112.324 9.343 3.799 1.00 0.00 N ATOM 213 CA ALA C 30 113.568 8.589 3.680 1.00 0.00 C ATOM 214 C ALA C 30 113.966 8.433 2.211 1.00 0.00 C ATOM 215 O ALA C 30 113.158 8.681 1.309 1.00 0.00 O ATOM 216 CB ALA C 30 113.425 7.214 4.328 1.00 0.00 C ATOM 0 H ALA C 30 111.578 9.023 3.181 1.00 0.00 H new ATOM 0 HA ALA C 30 114.350 9.143 4.198 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.362 6.666 4.230 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.183 7.333 5.384 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.627 6.660 3.833 1.00 0.00 H new ATOM 222 N ILE C 31 115.218 8.020 1.987 1.00 0.00 N ATOM 223 CA ILE C 31 115.746 7.824 0.634 1.00 0.00 C ATOM 224 C ILE C 31 116.071 6.356 0.410 1.00 0.00 C ATOM 225 O ILE C 31 116.702 5.721 1.258 1.00 0.00 O ATOM 226 CB ILE C 31 117.033 8.650 0.416 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.761 10.136 0.699 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.507 8.488 -1.033 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.023 10.974 0.433 1.00 0.00 C ATOM 0 H ILE C 31 115.887 7.814 2.729 1.00 0.00 H new ATOM 0 HA ILE C 31 114.983 8.154 -0.071 1.00 0.00 H new ATOM 0 HB ILE C 31 117.804 8.291 1.098 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.944 10.489 0.070 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.444 10.263 1.734 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.415 9.071 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.713 7.436 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.730 8.841 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.813 12.024 0.638 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.830 10.632 1.081 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.322 10.861 -0.609 1.00 0.00 H new ATOM 241 N ILE C 32 115.660 5.838 -0.746 1.00 0.00 N ATOM 242 CA ILE C 32 115.932 4.454 -1.090 1.00 0.00 C ATOM 243 C ILE C 32 117.326 4.340 -1.684 1.00 0.00 C ATOM 244 O ILE C 32 117.612 4.888 -2.753 1.00 0.00 O ATOM 245 CB ILE C 32 114.865 3.914 -2.078 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.700 3.308 -1.281 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.454 2.834 -3.012 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.155 2.029 -0.552 1.00 0.00 C ATOM 0 H ILE C 32 115.140 6.357 -1.454 1.00 0.00 H new ATOM 0 HA ILE C 32 115.884 3.848 -0.185 1.00 0.00 H new ATOM 0 HB ILE C 32 114.519 4.745 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.330 4.034 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.873 3.077 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.679 2.478 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.274 3.260 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.825 2.000 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.318 1.612 0.008 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.503 1.298 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.966 2.271 0.135 1.00 0.00 H new ATOM 260 N GLY C 33 118.165 3.592 -0.984 1.00 0.00 N ATOM 261 CA GLY C 33 119.528 3.336 -1.411 1.00 0.00 C ATOM 262 C GLY C 33 119.823 1.862 -1.215 1.00 0.00 C ATOM 263 O GLY C 33 119.288 1.240 -0.293 1.00 0.00 O ATOM 0 H GLY C 33 117.917 3.145 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.656 3.612 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.226 3.942 -0.834 1.00 0.00 H new ATOM 267 N LEU C 34 120.660 1.302 -2.080 1.00 0.00 N ATOM 268 CA LEU C 34 121.006 -0.117 -1.983 1.00 0.00 C ATOM 269 C LEU C 34 122.503 -0.309 -1.914 1.00 0.00 C ATOM 270 O LEU C 34 123.282 0.514 -2.388 1.00 0.00 O ATOM 271 CB LEU C 34 120.460 -0.917 -3.172 1.00 0.00 C ATOM 272 CG LEU C 34 120.730 -0.159 -4.468 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.151 -1.165 -5.541 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.462 0.610 -4.887 1.00 0.00 C ATOM 0 H LEU C 34 121.109 1.799 -2.849 1.00 0.00 H new ATOM 0 HA LEU C 34 120.547 -0.486 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.931 -1.899 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.389 -1.081 -3.052 1.00 0.00 H new ATOM 0 HG LEU C 34 121.532 0.566 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.348 -0.639 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.054 -1.684 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.351 -1.890 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.654 1.152 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.644 -0.094 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.189 1.317 -4.103 1.00 0.00 H new ATOM 286 N MET C 35 122.872 -1.429 -1.329 1.00 0.00 N ATOM 287 CA MET C 35 124.271 -1.813 -1.181 1.00 0.00 C ATOM 288 C MET C 35 124.627 -2.784 -2.287 1.00 0.00 C ATOM 289 O MET C 35 123.805 -3.617 -2.650 1.00 0.00 O ATOM 290 CB MET C 35 124.473 -2.483 0.188 1.00 0.00 C ATOM 291 CG MET C 35 125.871 -3.121 0.303 1.00 0.00 C ATOM 292 SD MET C 35 126.963 -2.015 1.212 1.00 0.00 S ATOM 293 CE MET C 35 126.798 -2.858 2.791 1.00 0.00 C ATOM 0 H MET C 35 122.214 -2.104 -0.940 1.00 0.00 H new ATOM 0 HA MET C 35 124.912 -0.934 -1.244 1.00 0.00 H new ATOM 0 HB2 MET C 35 124.343 -1.744 0.979 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.710 -3.247 0.337 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.803 -4.082 0.813 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.277 -3.315 -0.690 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.036 -2.167 3.599 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.774 -3.214 2.908 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.483 -3.705 2.824 1.00 0.00 H new ATOM 303 N VAL C 36 125.855 -2.674 -2.804 1.00 0.00 N ATOM 304 CA VAL C 36 126.313 -3.567 -3.869 1.00 0.00 C ATOM 305 C VAL C 36 127.595 -4.290 -3.449 1.00 0.00 C ATOM 306 O VAL C 36 128.664 -3.676 -3.365 1.00 0.00 O ATOM 307 CB VAL C 36 126.591 -2.759 -5.154 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.749 -3.710 -6.347 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.445 -1.773 -5.432 1.00 0.00 C ATOM 0 H VAL C 36 126.542 -1.982 -2.505 1.00 0.00 H new ATOM 0 HA VAL C 36 125.530 -4.302 -4.057 1.00 0.00 H new ATOM 0 HB VAL C 36 127.514 -2.196 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL C 36 126.945 -3.132 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.582 -4.389 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.833 -4.286 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.660 -1.213 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.513 -2.324 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.349 -1.082 -4.595 1.00 0.00 H new ATOM 319 N GLY C 37 127.478 -5.603 -3.225 1.00 0.00 N ATOM 320 CA GLY C 37 128.611 -6.438 -2.854 1.00 0.00 C ATOM 321 C GLY C 37 129.199 -6.094 -1.487 1.00 0.00 C ATOM 322 O GLY C 37 129.370 -4.925 -1.142 1.00 0.00 O ATOM 0 H GLY C 37 126.596 -6.110 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.298 -7.482 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.389 -6.338 -3.611 1.00 0.00 H new ATOM 367 N GLY E 14 131.922 -2.165 0.176 1.00 0.00 N ATOM 368 CA GLY E 14 130.821 -2.337 -0.767 1.00 0.00 C ATOM 369 C GLY E 14 130.394 -1.010 -1.383 1.00 0.00 C ATOM 370 O GLY E 14 130.319 0.008 -0.691 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.123 -3.025 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.972 -2.791 -0.256 1.00 0.00 H new ATOM 374 N GLU E 15 130.076 -1.042 -2.683 1.00 0.00 N ATOM 375 CA GLU E 15 129.609 0.150 -3.384 1.00 0.00 C ATOM 376 C GLU E 15 128.142 0.343 -3.046 1.00 0.00 C ATOM 377 O GLU E 15 127.336 -0.555 -3.275 1.00 0.00 O ATOM 378 CB GLU E 15 129.785 -0.024 -4.907 1.00 0.00 C ATOM 379 CG GLU E 15 129.253 1.214 -5.655 1.00 0.00 C ATOM 380 CD GLU E 15 129.352 1.014 -7.173 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.463 0.902 -7.667 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.312 0.984 -7.821 1.00 0.00 O ATOM 0 H GLU E 15 130.135 -1.878 -3.264 1.00 0.00 H new ATOM 0 HA GLU E 15 130.187 1.021 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.839 -0.174 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.253 -0.915 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.216 1.397 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.823 2.095 -5.361 1.00 0.00 H new ATOM 389 N ILE E 16 127.800 1.503 -2.485 1.00 0.00 N ATOM 390 CA ILE E 16 126.415 1.775 -2.100 1.00 0.00 C ATOM 391 C ILE E 16 125.791 2.816 -3.035 1.00 0.00 C ATOM 392 O ILE E 16 126.346 3.895 -3.255 1.00 0.00 O ATOM 393 CB ILE E 16 126.364 2.217 -0.625 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.072 1.145 0.244 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.903 2.349 -0.180 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.872 1.424 1.737 1.00 0.00 C ATOM 0 H ILE E 16 128.454 2.261 -2.289 1.00 0.00 H new ATOM 0 HA ILE E 16 125.824 0.864 -2.198 1.00 0.00 H new ATOM 0 HB ILE E 16 126.864 3.179 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.680 0.158 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.137 1.131 0.013 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.867 2.662 0.864 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.400 3.092 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.401 1.387 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.379 0.657 2.322 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.287 2.401 1.983 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.807 1.413 1.970 1.00 0.00 H new ATOM 408 N VAL E 17 124.644 2.432 -3.606 1.00 0.00 N ATOM 409 CA VAL E 17 123.899 3.251 -4.571 1.00 0.00 C ATOM 410 C VAL E 17 122.663 3.910 -3.952 1.00 0.00 C ATOM 411 O VAL E 17 121.989 3.322 -3.110 1.00 0.00 O ATOM 412 CB VAL E 17 123.454 2.344 -5.737 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.490 3.093 -6.677 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.685 1.880 -6.526 1.00 0.00 C ATOM 0 H VAL E 17 124.201 1.534 -3.410 1.00 0.00 H new ATOM 0 HA VAL E 17 124.557 4.050 -4.912 1.00 0.00 H new ATOM 0 HB VAL E 17 122.933 1.480 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.190 2.433 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.607 3.405 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.990 3.971 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.369 1.239 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.211 2.748 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.351 1.322 -5.867 1.00 0.00 H new ATOM 424 N TYR E 18 122.364 5.124 -4.429 1.00 0.00 N ATOM 425 CA TYR E 18 121.186 5.884 -3.996 1.00 0.00 C ATOM 426 C TYR E 18 120.377 6.294 -5.230 1.00 0.00 C ATOM 427 O TYR E 18 120.930 6.888 -6.160 1.00 0.00 O ATOM 428 CB TYR E 18 121.614 7.135 -3.212 1.00 0.00 C ATOM 429 CG TYR E 18 121.891 6.770 -1.780 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.044 6.060 -1.450 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.992 7.153 -0.781 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.303 5.736 -0.121 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.244 6.830 0.549 1.00 0.00 C ATOM 434 CZ TYR E 18 122.406 6.121 0.885 1.00 0.00 C ATOM 435 OH TYR E 18 122.667 5.801 2.202 1.00 0.00 O ATOM 0 H TYR E 18 122.932 5.607 -5.126 1.00 0.00 H new ATOM 0 HA TYR E 18 120.575 5.261 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.505 7.571 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.830 7.891 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.736 5.762 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.099 7.701 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.197 5.187 0.135 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.547 7.124 1.320 1.00 0.00 H new ATOM 0 HH TYR E 18 122.374 6.535 2.781 1.00 0.00 H new ATOM 445 N LEU E 19 119.072 5.977 -5.233 1.00 0.00 N ATOM 446 CA LEU E 19 118.197 6.323 -6.366 1.00 0.00 C ATOM 447 C LEU E 19 117.019 7.200 -5.892 1.00 0.00 C ATOM 448 O LEU E 19 115.850 6.829 -6.054 1.00 0.00 O ATOM 449 CB LEU E 19 117.664 5.037 -7.042 1.00 0.00 C ATOM 450 CG LEU E 19 118.818 4.223 -7.667 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.425 2.740 -7.753 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.144 4.742 -9.080 1.00 0.00 C ATOM 0 H LEU E 19 118.603 5.486 -4.472 1.00 0.00 H new ATOM 0 HA LEU E 19 118.781 6.888 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.139 4.426 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.940 5.300 -7.813 1.00 0.00 H new ATOM 0 HG LEU E 19 119.698 4.335 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.244 2.172 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.218 2.360 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.534 2.635 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU E 19 119.960 4.156 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.262 4.649 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.441 5.789 -9.023 1.00 0.00 H new ATOM 464 N PRO E 20 117.302 8.364 -5.330 1.00 0.00 N ATOM 465 CA PRO E 20 116.245 9.313 -4.848 1.00 0.00 C ATOM 466 C PRO E 20 115.484 9.932 -6.015 1.00 0.00 C ATOM 467 O PRO E 20 114.380 10.455 -5.848 1.00 0.00 O ATOM 468 CB PRO E 20 117.034 10.394 -4.097 1.00 0.00 C ATOM 469 CG PRO E 20 118.401 10.359 -4.690 1.00 0.00 C ATOM 470 CD PRO E 20 118.654 8.909 -5.094 1.00 0.00 C ATOM 0 HA PRO E 20 115.498 8.817 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.575 11.375 -4.221 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.063 10.189 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.468 11.021 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.146 10.698 -3.970 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.272 8.846 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.174 8.361 -4.309 1.00 0.00 H new ATOM 478 N ASN E 21 116.116 9.887 -7.186 1.00 0.00 N ATOM 479 CA ASN E 21 115.553 10.462 -8.400 1.00 0.00 C ATOM 480 C ASN E 21 114.593 9.498 -9.102 1.00 0.00 C ATOM 481 O ASN E 21 113.971 9.875 -10.097 1.00 0.00 O ATOM 482 CB ASN E 21 116.702 10.832 -9.346 1.00 0.00 C ATOM 483 CG ASN E 21 117.655 11.823 -8.668 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.246 12.588 -7.792 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.910 11.857 -9.023 1.00 0.00 N ATOM 0 H ASN E 21 117.029 9.452 -7.317 1.00 0.00 H new ATOM 0 HA ASN E 21 114.978 11.347 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.247 9.933 -9.635 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.302 11.270 -10.260 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.549 12.515 -8.576 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.252 11.226 -9.747 1.00 0.00 H new ATOM 492 N LEU E 22 114.468 8.265 -8.588 1.00 0.00 N ATOM 493 CA LEU E 22 113.575 7.280 -9.191 1.00 0.00 C ATOM 494 C LEU E 22 112.246 7.232 -8.450 1.00 0.00 C ATOM 495 O LEU E 22 112.201 7.346 -7.221 1.00 0.00 O ATOM 496 CB LEU E 22 114.246 5.899 -9.176 1.00 0.00 C ATOM 497 CG LEU E 22 115.102 5.702 -10.447 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.204 6.778 -10.546 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.737 4.303 -10.406 1.00 0.00 C ATOM 0 H LEU E 22 114.971 7.934 -7.765 1.00 0.00 H new ATOM 0 HA LEU E 22 113.376 7.571 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.872 5.802 -8.289 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.487 5.119 -9.117 1.00 0.00 H new ATOM 0 HG LEU E 22 114.462 5.798 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.791 6.615 -11.450 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.745 7.766 -10.584 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.855 6.714 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.344 4.153 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.366 4.215 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.952 3.548 -10.370 1.00 0.00 H new ATOM 511 N ASN E 23 111.169 7.051 -9.215 1.00 0.00 N ATOM 512 CA ASN E 23 109.821 6.973 -8.644 1.00 0.00 C ATOM 513 C ASN E 23 109.518 5.524 -8.246 1.00 0.00 C ATOM 514 O ASN E 23 110.238 4.611 -8.662 1.00 0.00 O ATOM 515 CB ASN E 23 108.763 7.513 -9.637 1.00 0.00 C ATOM 516 CG ASN E 23 109.075 7.114 -11.081 1.00 0.00 C ATOM 517 OD1 ASN E 23 110.135 7.449 -11.608 1.00 0.00 O ATOM 518 ND2 ASN E 23 108.196 6.432 -11.762 1.00 0.00 N ATOM 0 H ASN E 23 111.202 6.956 -10.230 1.00 0.00 H new ATOM 0 HA ASN E 23 109.777 7.600 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.779 7.133 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.718 8.600 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN E 23 108.388 6.177 -12.731 1.00 0.00 H new ATOM 0 HD22 ASN E 23 107.317 6.154 -11.326 1.00 0.00 H new ATOM 525 N PRO E 24 108.492 5.284 -7.442 1.00 0.00 N ATOM 526 CA PRO E 24 108.145 3.900 -6.989 1.00 0.00 C ATOM 527 C PRO E 24 108.022 2.924 -8.155 1.00 0.00 C ATOM 528 O PRO E 24 108.354 1.748 -8.016 1.00 0.00 O ATOM 529 CB PRO E 24 106.804 4.072 -6.268 1.00 0.00 C ATOM 530 CG PRO E 24 106.790 5.493 -5.815 1.00 0.00 C ATOM 531 CD PRO E 24 107.561 6.284 -6.870 1.00 0.00 C ATOM 0 HA PRO E 24 108.920 3.475 -6.351 1.00 0.00 H new ATOM 0 HB2 PRO E 24 105.968 3.862 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.719 3.388 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.769 5.862 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.256 5.594 -4.835 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.896 6.693 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.097 7.125 -6.429 1.00 0.00 H new ATOM 539 N ASP E 25 107.569 3.425 -9.305 1.00 0.00 N ATOM 540 CA ASP E 25 107.437 2.587 -10.497 1.00 0.00 C ATOM 541 C ASP E 25 108.818 2.107 -10.937 1.00 0.00 C ATOM 542 O ASP E 25 109.018 0.926 -11.230 1.00 0.00 O ATOM 543 CB ASP E 25 106.801 3.386 -11.642 1.00 0.00 C ATOM 544 CG ASP E 25 105.491 4.032 -11.184 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.559 3.299 -10.891 1.00 0.00 O ATOM 546 OD2 ASP E 25 105.442 5.252 -11.128 1.00 0.00 O ATOM 0 H ASP E 25 107.290 4.397 -9.436 1.00 0.00 H new ATOM 0 HA ASP E 25 106.802 1.734 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.493 4.156 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.612 2.728 -12.490 1.00 0.00 H new ATOM 551 N GLN E 26 109.763 3.052 -10.982 1.00 0.00 N ATOM 552 CA GLN E 26 111.133 2.769 -11.387 1.00 0.00 C ATOM 553 C GLN E 26 111.849 1.882 -10.367 1.00 0.00 C ATOM 554 O GLN E 26 112.490 0.899 -10.745 1.00 0.00 O ATOM 555 CB GLN E 26 111.890 4.093 -11.546 1.00 0.00 C ATOM 556 CG GLN E 26 111.281 4.911 -12.697 1.00 0.00 C ATOM 557 CD GLN E 26 111.502 4.204 -14.028 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.672 3.705 -14.294 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.588 4.110 -14.843 1.00 0.00 N flip ATOM 0 H GLN E 26 109.595 4.028 -10.739 1.00 0.00 H new ATOM 0 HA GLN E 26 111.109 2.231 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.842 4.663 -10.618 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.944 3.898 -11.745 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.214 5.052 -12.526 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.733 5.902 -12.725 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.672 4.503 -14.629 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.745 3.638 -15.734 1.00 0.00 H new ATOM 568 N LEU E 27 111.739 2.231 -9.077 1.00 0.00 N ATOM 569 CA LEU E 27 112.391 1.444 -8.028 1.00 0.00 C ATOM 570 C LEU E 27 111.804 0.032 -7.978 1.00 0.00 C ATOM 571 O LEU E 27 112.549 -0.939 -7.868 1.00 0.00 O ATOM 572 CB LEU E 27 112.241 2.113 -6.651 1.00 0.00 C ATOM 573 CG LEU E 27 112.916 3.499 -6.632 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.723 4.146 -5.254 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.427 3.374 -6.908 1.00 0.00 C ATOM 0 H LEU E 27 111.214 3.039 -8.742 1.00 0.00 H new ATOM 0 HA LEU E 27 113.452 1.387 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.184 2.216 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.685 1.478 -5.884 1.00 0.00 H new ATOM 0 HG LEU E 27 112.458 4.112 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.201 5.126 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.658 4.259 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.173 3.513 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.883 4.364 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.886 2.749 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.582 2.921 -7.887 1.00 0.00 H new ATOM 587 N CYS E 28 110.472 -0.073 -8.070 1.00 0.00 N ATOM 588 CA CYS E 28 109.808 -1.382 -8.045 1.00 0.00 C ATOM 589 C CYS E 28 110.203 -2.197 -9.276 1.00 0.00 C ATOM 590 O CYS E 28 110.510 -3.387 -9.164 1.00 0.00 O ATOM 591 CB CYS E 28 108.284 -1.217 -7.992 1.00 0.00 C ATOM 592 SG CYS E 28 107.517 -2.814 -7.609 1.00 0.00 S ATOM 0 H CYS E 28 109.840 0.722 -8.161 1.00 0.00 H new ATOM 0 HA CYS E 28 110.130 -1.912 -7.149 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.013 -0.481 -7.235 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.914 -0.844 -8.947 1.00 0.00 H new ATOM 597 N ALA E 29 110.209 -1.539 -10.445 1.00 0.00 N ATOM 598 CA ALA E 29 110.587 -2.196 -11.703 1.00 0.00 C ATOM 599 C ALA E 29 112.021 -2.707 -11.607 1.00 0.00 C ATOM 600 O ALA E 29 112.325 -3.846 -11.977 1.00 0.00 O ATOM 601 CB ALA E 29 110.489 -1.196 -12.863 1.00 0.00 C ATOM 0 H ALA E 29 109.957 -0.556 -10.544 1.00 0.00 H new ATOM 0 HA ALA E 29 109.910 -3.031 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.771 -1.689 -13.793 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.466 -0.830 -12.942 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.161 -0.358 -12.679 1.00 0.00 H new ATOM 607 N PHE E 30 112.885 -1.840 -11.085 1.00 0.00 N ATOM 608 CA PHE E 30 114.293 -2.158 -10.900 1.00 0.00 C ATOM 609 C PHE E 30 114.456 -3.302 -9.897 1.00 0.00 C ATOM 610 O PHE E 30 115.183 -4.254 -10.155 1.00 0.00 O ATOM 611 CB PHE E 30 115.014 -0.894 -10.406 1.00 0.00 C ATOM 612 CG PHE E 30 116.446 -1.205 -10.024 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.378 -1.565 -11.004 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.837 -1.124 -8.681 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.698 -1.844 -10.638 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.158 -1.400 -8.320 1.00 0.00 C ATOM 617 CZ PHE E 30 119.085 -1.759 -9.298 1.00 0.00 C ATOM 0 H PHE E 30 112.627 -0.901 -10.780 1.00 0.00 H new ATOM 0 HA PHE E 30 114.728 -2.484 -11.845 1.00 0.00 H new ATOM 0 HB2 PHE E 30 114.998 -0.133 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.485 -0.481 -9.547 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.078 -1.627 -12.040 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.117 -0.848 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.419 -2.125 -11.391 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.461 -1.335 -7.285 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.106 -1.972 -9.019 1.00 0.00 H new ATOM 627 N ILE E 31 113.775 -3.187 -8.758 1.00 0.00 N ATOM 628 CA ILE E 31 113.841 -4.203 -7.701 1.00 0.00 C ATOM 629 C ILE E 31 113.340 -5.558 -8.196 1.00 0.00 C ATOM 630 O ILE E 31 113.902 -6.593 -7.829 1.00 0.00 O ATOM 631 CB ILE E 31 113.045 -3.699 -6.468 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.017 -2.983 -5.526 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.355 -4.832 -5.690 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.242 -2.172 -4.486 1.00 0.00 C ATOM 0 H ILE E 31 113.167 -2.397 -8.540 1.00 0.00 H new ATOM 0 HA ILE E 31 114.880 -4.355 -7.408 1.00 0.00 H new ATOM 0 HB ILE E 31 112.262 -3.034 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.656 -3.712 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.671 -2.325 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE E 31 111.816 -4.414 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE E 31 111.654 -5.349 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.105 -5.537 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.943 -1.667 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.623 -1.431 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.607 -2.840 -3.904 1.00 0.00 H new ATOM 646 N HIS E 32 112.292 -5.553 -9.019 1.00 0.00 N ATOM 647 CA HIS E 32 111.746 -6.803 -9.538 1.00 0.00 C ATOM 648 C HIS E 32 112.783 -7.488 -10.425 1.00 0.00 C ATOM 649 O HIS E 32 113.078 -8.670 -10.253 1.00 0.00 O ATOM 650 CB HIS E 32 110.464 -6.518 -10.336 1.00 0.00 C ATOM 651 CG HIS E 32 109.744 -7.807 -10.622 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.342 -8.844 -11.312 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.476 -8.240 -10.318 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.446 -9.845 -11.405 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.291 -9.528 -10.813 1.00 0.00 N ATOM 0 H HIS E 32 111.811 -4.711 -9.336 1.00 0.00 H new ATOM 0 HA HIS E 32 111.502 -7.465 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.816 -5.846 -9.773 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.711 -6.014 -11.270 1.00 0.00 H new ATOM 0 HD1 HIS E 32 111.292 -8.850 -11.684 1.00 0.00 H new ATOM 0 HD2 HIS E 32 107.736 -7.669 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.637 -10.787 -11.897 1.00 0.00 H new ATOM 664 N SER E 33 113.335 -6.718 -11.362 1.00 0.00 N ATOM 665 CA SER E 33 114.350 -7.222 -12.287 1.00 0.00 C ATOM 666 C SER E 33 115.633 -7.607 -11.547 1.00 0.00 C ATOM 667 O SER E 33 116.229 -8.655 -11.814 1.00 0.00 O ATOM 668 CB SER E 33 114.653 -6.139 -13.323 1.00 0.00 C ATOM 669 OG SER E 33 115.486 -6.673 -14.348 1.00 0.00 O ATOM 0 H SER E 33 113.094 -5.737 -11.501 1.00 0.00 H new ATOM 0 HA SER E 33 113.967 -8.117 -12.777 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.724 -5.765 -13.754 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.146 -5.293 -12.845 1.00 0.00 H new ATOM 0 HG SER E 33 115.677 -5.977 -15.011 1.00 0.00 H new ATOM 675 N LEU E 34 116.037 -6.743 -10.615 1.00 0.00 N ATOM 676 CA LEU E 34 117.243 -6.950 -9.804 1.00 0.00 C ATOM 677 C LEU E 34 117.168 -8.282 -9.059 1.00 0.00 C ATOM 678 O LEU E 34 118.175 -8.981 -8.909 1.00 0.00 O ATOM 679 CB LEU E 34 117.360 -5.790 -8.798 1.00 0.00 C ATOM 680 CG LEU E 34 118.639 -5.913 -7.954 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.874 -5.855 -8.868 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.687 -4.756 -6.936 1.00 0.00 C ATOM 0 H LEU E 34 115.539 -5.879 -10.399 1.00 0.00 H new ATOM 0 HA LEU E 34 118.119 -6.975 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.364 -4.840 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.488 -5.783 -8.143 1.00 0.00 H new ATOM 0 HG LEU E 34 118.636 -6.865 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.778 -5.943 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.835 -6.675 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.886 -4.906 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.592 -4.838 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.689 -3.804 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.814 -4.807 -6.286 1.00 0.00 H new ATOM 694 N HIS E 35 115.963 -8.613 -8.597 1.00 0.00 N ATOM 695 CA HIS E 35 115.726 -9.850 -7.858 1.00 0.00 C ATOM 696 C HIS E 35 115.514 -11.056 -8.790 1.00 0.00 C ATOM 697 O HIS E 35 115.787 -12.192 -8.395 1.00 0.00 O ATOM 698 CB HIS E 35 114.511 -9.652 -6.943 1.00 0.00 C ATOM 699 CG HIS E 35 114.948 -8.954 -5.680 1.00 0.00 C ATOM 700 ND1 HIS E 35 114.772 -7.594 -5.488 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.564 -9.416 -4.544 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.271 -7.286 -4.278 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.767 -8.361 -3.659 1.00 0.00 N ATOM 0 H HIS E 35 115.131 -8.036 -8.723 1.00 0.00 H new ATOM 0 HA HIS E 35 116.612 -10.072 -7.263 1.00 0.00 H new ATOM 0 HB2 HIS E 35 113.749 -9.063 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.061 -10.615 -6.703 1.00 0.00 H new ATOM 0 HD1 HIS E 35 114.342 -6.944 -6.145 1.00 0.00 H new ATOM 0 HD2 HIS E 35 115.848 -10.442 -4.364 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.271 -6.291 -3.858 1.00 0.00 H new ATOM 712 N ASP E 36 115.022 -10.812 -10.015 1.00 0.00 N ATOM 713 CA ASP E 36 114.777 -11.904 -10.973 1.00 0.00 C ATOM 714 C ASP E 36 116.071 -12.639 -11.337 1.00 0.00 C ATOM 715 O ASP E 36 116.083 -13.870 -11.421 1.00 0.00 O ATOM 716 CB ASP E 36 114.140 -11.362 -12.269 1.00 0.00 C ATOM 717 CG ASP E 36 112.703 -10.854 -12.052 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.067 -11.249 -11.083 1.00 0.00 O ATOM 719 OD2 ASP E 36 112.251 -10.080 -12.880 1.00 0.00 O ATOM 0 H ASP E 36 114.788 -9.882 -10.363 1.00 0.00 H new ATOM 0 HA ASP E 36 114.096 -12.602 -10.486 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.754 -10.550 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.134 -12.149 -13.024 1.00 0.00 H new ATOM 724 N ASP E 37 117.147 -11.876 -11.573 1.00 0.00 N ATOM 725 CA ASP E 37 118.440 -12.459 -11.953 1.00 0.00 C ATOM 726 C ASP E 37 119.588 -11.778 -11.191 1.00 0.00 C ATOM 727 O ASP E 37 120.241 -10.870 -11.721 1.00 0.00 O ATOM 728 CB ASP E 37 118.650 -12.313 -13.470 1.00 0.00 C ATOM 729 CG ASP E 37 117.605 -13.134 -14.231 1.00 0.00 C ATOM 730 OD1 ASP E 37 117.649 -14.349 -14.131 1.00 0.00 O ATOM 731 OD2 ASP E 37 116.776 -12.536 -14.900 1.00 0.00 O ATOM 0 H ASP E 37 117.148 -10.858 -11.508 1.00 0.00 H new ATOM 0 HA ASP E 37 118.437 -13.517 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.576 -11.264 -13.755 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.652 -12.647 -13.739 1.00 0.00 H new ATOM 736 N PRO E 38 119.846 -12.194 -9.964 1.00 0.00 N ATOM 737 CA PRO E 38 120.940 -11.607 -9.127 1.00 0.00 C ATOM 738 C PRO E 38 122.301 -11.651 -9.832 1.00 0.00 C ATOM 739 O PRO E 38 123.175 -10.828 -9.554 1.00 0.00 O ATOM 740 CB PRO E 38 120.947 -12.472 -7.859 1.00 0.00 C ATOM 741 CG PRO E 38 119.598 -13.108 -7.798 1.00 0.00 C ATOM 742 CD PRO E 38 119.127 -13.264 -9.242 1.00 0.00 C ATOM 0 HA PRO E 38 120.767 -10.551 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO E 38 121.734 -13.225 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO E 38 121.135 -11.866 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO E 38 119.648 -14.076 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO E 38 118.904 -12.491 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.372 -14.249 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.047 -13.147 -9.325 1.00 0.00 H new ATOM 750 N SER E 39 122.464 -12.614 -10.743 1.00 0.00 N ATOM 751 CA SER E 39 123.716 -12.762 -11.491 1.00 0.00 C ATOM 752 C SER E 39 124.014 -11.501 -12.309 1.00 0.00 C ATOM 753 O SER E 39 125.170 -11.084 -12.424 1.00 0.00 O ATOM 754 CB SER E 39 123.627 -13.973 -12.427 1.00 0.00 C ATOM 755 OG SER E 39 123.281 -15.130 -11.672 1.00 0.00 O ATOM 0 H SER E 39 121.748 -13.301 -10.980 1.00 0.00 H new ATOM 0 HA SER E 39 124.525 -12.913 -10.776 1.00 0.00 H new ATOM 0 HB2 SER E 39 122.881 -13.794 -13.201 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.580 -14.127 -12.932 1.00 0.00 H new ATOM 0 HG SER E 39 123.222 -15.905 -12.269 1.00 0.00 H new ATOM 761 N GLN E 40 122.955 -10.903 -12.870 1.00 0.00 N ATOM 762 CA GLN E 40 123.081 -9.684 -13.681 1.00 0.00 C ATOM 763 C GLN E 40 122.880 -8.427 -12.831 1.00 0.00 C ATOM 764 O GLN E 40 122.774 -7.326 -13.371 1.00 0.00 O ATOM 765 CB GLN E 40 122.029 -9.693 -14.805 1.00 0.00 C ATOM 766 CG GLN E 40 122.313 -10.831 -15.785 1.00 0.00 C ATOM 767 CD GLN E 40 121.319 -10.788 -16.943 1.00 0.00 C ATOM 768 OE1 GLN E 40 121.536 -10.080 -17.926 1.00 0.00 O ATOM 769 NE2 GLN E 40 120.231 -11.506 -16.883 1.00 0.00 N ATOM 0 H GLN E 40 121.998 -11.245 -12.777 1.00 0.00 H new ATOM 0 HA GLN E 40 124.086 -9.668 -14.102 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.032 -9.810 -14.379 1.00 0.00 H new ATOM 0 HB3 GLN E 40 122.041 -8.739 -15.331 1.00 0.00 H new ATOM 0 HG2 GLN E 40 123.331 -10.747 -16.166 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.243 -11.790 -15.271 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.051 -12.093 -16.068 1.00 0.00 H new ATOM 0 HE22 GLN E 40 119.560 -11.481 -17.651 1.00 0.00 H new ATOM 778 N SER E 41 122.811 -8.589 -11.502 1.00 0.00 N ATOM 779 CA SER E 41 122.583 -7.451 -10.591 1.00 0.00 C ATOM 780 C SER E 41 123.522 -6.266 -10.854 1.00 0.00 C ATOM 781 O SER E 41 123.112 -5.120 -10.687 1.00 0.00 O ATOM 782 CB SER E 41 122.727 -7.902 -9.137 1.00 0.00 C ATOM 783 OG SER E 41 124.038 -8.403 -8.919 1.00 0.00 O ATOM 0 H SER E 41 122.909 -9.490 -11.033 1.00 0.00 H new ATOM 0 HA SER E 41 121.568 -7.104 -10.782 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.530 -7.066 -8.466 1.00 0.00 H new ATOM 0 HB3 SER E 41 121.990 -8.673 -8.911 1.00 0.00 H new ATOM 0 HG SER E 41 124.092 -9.328 -9.237 1.00 0.00 H new ATOM 789 N ALA E 42 124.759 -6.545 -11.276 1.00 0.00 N ATOM 790 CA ALA E 42 125.718 -5.468 -11.561 1.00 0.00 C ATOM 791 C ALA E 42 125.337 -4.730 -12.843 1.00 0.00 C ATOM 792 O ALA E 42 125.281 -3.496 -12.864 1.00 0.00 O ATOM 793 CB ALA E 42 127.139 -6.035 -11.696 1.00 0.00 C ATOM 0 H ALA E 42 125.117 -7.488 -11.426 1.00 0.00 H new ATOM 0 HA ALA E 42 125.691 -4.765 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.836 -5.224 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.425 -6.526 -10.766 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.166 -6.758 -12.511 1.00 0.00 H new ATOM 799 N ASN E 43 125.068 -5.496 -13.906 1.00 0.00 N ATOM 800 CA ASN E 43 124.682 -4.911 -15.192 1.00 0.00 C ATOM 801 C ASN E 43 123.365 -4.161 -15.051 1.00 0.00 C ATOM 802 O ASN E 43 123.233 -3.026 -15.521 1.00 0.00 O ATOM 803 CB ASN E 43 124.535 -6.015 -16.251 1.00 0.00 C ATOM 804 CG ASN E 43 125.909 -6.432 -16.764 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.355 -7.554 -16.522 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.608 -5.585 -17.466 1.00 0.00 N ATOM 0 H ASN E 43 125.110 -6.515 -13.901 1.00 0.00 H new ATOM 0 HA ASN E 43 125.459 -4.214 -15.506 1.00 0.00 H new ATOM 0 HB2 ASN E 43 124.021 -6.875 -15.822 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.922 -5.657 -17.078 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.528 -5.851 -17.817 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.235 -4.657 -17.664 1.00 0.00 H new ATOM 813 N LEU E 44 122.406 -4.812 -14.388 1.00 0.00 N ATOM 814 CA LEU E 44 121.084 -4.238 -14.155 1.00 0.00 C ATOM 815 C LEU E 44 121.196 -2.928 -13.384 1.00 0.00 C ATOM 816 O LEU E 44 120.478 -1.968 -13.680 1.00 0.00 O ATOM 817 CB LEU E 44 120.217 -5.231 -13.366 1.00 0.00 C ATOM 818 CG LEU E 44 119.946 -6.489 -14.215 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.443 -7.627 -13.318 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.887 -6.176 -15.283 1.00 0.00 C ATOM 0 H LEU E 44 122.526 -5.748 -14.000 1.00 0.00 H new ATOM 0 HA LEU E 44 120.619 -4.036 -15.120 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.720 -5.509 -12.440 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.274 -4.761 -13.087 1.00 0.00 H new ATOM 0 HG LEU E 44 120.873 -6.795 -14.700 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.254 -8.512 -13.925 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.197 -7.857 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.520 -7.321 -12.825 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.698 -7.068 -15.881 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.963 -5.862 -14.798 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.247 -5.376 -15.929 1.00 0.00 H new ATOM 832 N LEU E 45 122.107 -2.889 -12.405 1.00 0.00 N ATOM 833 CA LEU E 45 122.303 -1.676 -11.614 1.00 0.00 C ATOM 834 C LEU E 45 122.812 -0.559 -12.506 1.00 0.00 C ATOM 835 O LEU E 45 122.421 0.598 -12.345 1.00 0.00 O ATOM 836 CB LEU E 45 123.309 -1.908 -10.477 1.00 0.00 C ATOM 837 CG LEU E 45 122.808 -1.283 -9.161 1.00 0.00 C ATOM 838 CD1 LEU E 45 123.959 -1.268 -8.156 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.282 0.157 -9.390 1.00 0.00 C ATOM 0 H LEU E 45 122.709 -3.671 -12.147 1.00 0.00 H new ATOM 0 HA LEU E 45 121.343 -1.401 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.467 -2.978 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.273 -1.476 -10.745 1.00 0.00 H new ATOM 0 HG LEU E 45 121.981 -1.880 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.618 -0.828 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.298 -2.288 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.783 -0.677 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU E 45 121.935 0.572 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.085 0.779 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.456 0.134 -10.101 1.00 0.00 H new ATOM 851 N ALA E 46 123.677 -0.921 -13.456 1.00 0.00 N ATOM 852 CA ALA E 46 124.231 0.053 -14.390 1.00 0.00 C ATOM 853 C ALA E 46 123.091 0.815 -15.056 1.00 0.00 C ATOM 854 O ALA E 46 123.175 2.023 -15.264 1.00 0.00 O ATOM 855 CB ALA E 46 125.071 -0.667 -15.455 1.00 0.00 C ATOM 0 H ALA E 46 124.006 -1.876 -13.596 1.00 0.00 H new ATOM 0 HA ALA E 46 124.869 0.753 -13.851 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.482 0.065 -16.150 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.886 -1.207 -14.972 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.442 -1.371 -16.000 1.00 0.00 H new ATOM 861 N GLU E 47 122.019 0.083 -15.356 1.00 0.00 N ATOM 862 CA GLU E 47 120.832 0.660 -15.983 1.00 0.00 C ATOM 863 C GLU E 47 120.119 1.587 -15.021 1.00 0.00 C ATOM 864 O GLU E 47 119.608 2.635 -15.421 1.00 0.00 O ATOM 865 CB GLU E 47 119.848 -0.441 -16.383 1.00 0.00 C ATOM 866 CG GLU E 47 120.617 -1.617 -16.971 1.00 0.00 C ATOM 867 CD GLU E 47 119.672 -2.613 -17.659 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.674 -2.981 -17.057 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.973 -3.006 -18.775 1.00 0.00 O ATOM 0 H GLU E 47 121.949 -0.918 -15.173 1.00 0.00 H new ATOM 0 HA GLU E 47 121.163 1.211 -16.863 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.275 -0.765 -15.514 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.134 -0.058 -17.112 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.350 -1.252 -17.690 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.171 -2.124 -16.181 1.00 0.00 H new ATOM 876 N ALA E 48 120.071 1.187 -13.748 1.00 0.00 N ATOM 877 CA ALA E 48 119.400 1.991 -12.756 1.00 0.00 C ATOM 878 C ALA E 48 120.203 3.249 -12.499 1.00 0.00 C ATOM 879 O ALA E 48 119.641 4.306 -12.222 1.00 0.00 O ATOM 880 CB ALA E 48 119.171 1.218 -11.463 1.00 0.00 C ATOM 0 H ALA E 48 120.485 0.324 -13.396 1.00 0.00 H new ATOM 0 HA ALA E 48 118.417 2.263 -13.140 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.663 1.858 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.555 0.342 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.130 0.900 -11.054 1.00 0.00 H new ATOM 886 N LYS E 49 121.529 3.131 -12.624 1.00 0.00 N ATOM 887 CA LYS E 49 122.399 4.281 -12.441 1.00 0.00 C ATOM 888 C LYS E 49 122.148 5.248 -13.601 1.00 0.00 C ATOM 889 O LYS E 49 122.038 6.462 -13.400 1.00 0.00 O ATOM 890 CB LYS E 49 123.876 3.851 -12.377 1.00 0.00 C ATOM 891 CG LYS E 49 124.476 4.185 -10.991 1.00 0.00 C ATOM 892 CD LYS E 49 124.174 3.055 -9.999 1.00 0.00 C ATOM 893 CE LYS E 49 125.165 1.895 -10.188 1.00 0.00 C ATOM 894 NZ LYS E 49 126.542 2.339 -9.813 1.00 0.00 N ATOM 0 H LYS E 49 122.011 2.261 -12.848 1.00 0.00 H new ATOM 0 HA LYS E 49 122.178 4.774 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.958 2.781 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.443 4.358 -13.158 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.553 4.325 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.061 5.123 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.237 3.432 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.155 2.698 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.867 1.046 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.151 1.558 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.144 2.358 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.499 3.292 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.943 1.677 -9.119 1.00 0.00 H new ATOM 908 N LYS E 50 121.979 4.684 -14.813 1.00 0.00 N ATOM 909 CA LYS E 50 121.646 5.497 -15.984 1.00 0.00 C ATOM 910 C LYS E 50 120.306 6.173 -15.708 1.00 0.00 C ATOM 911 O LYS E 50 120.104 7.336 -16.046 1.00 0.00 O ATOM 912 CB LYS E 50 121.538 4.635 -17.254 1.00 0.00 C ATOM 913 CG LYS E 50 122.921 4.131 -17.686 1.00 0.00 C ATOM 914 CD LYS E 50 122.785 3.287 -18.964 1.00 0.00 C ATOM 915 CE LYS E 50 124.036 2.423 -19.162 1.00 0.00 C ATOM 916 NZ LYS E 50 124.150 2.033 -20.597 1.00 0.00 N ATOM 0 H LYS E 50 122.067 3.685 -14.999 1.00 0.00 H new ATOM 0 HA LYS E 50 122.433 6.232 -16.154 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.878 3.788 -17.069 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.090 5.218 -18.059 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.588 4.975 -17.864 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.367 3.535 -16.890 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.902 2.652 -18.897 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.644 3.939 -19.826 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.924 2.974 -18.852 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.979 1.533 -18.536 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 124.999 1.447 -20.731 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 123.307 1.492 -20.878 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 124.223 2.888 -21.184 1.00 0.00 H new ATOM 930 N LEU E 51 119.418 5.421 -15.038 1.00 0.00 N ATOM 931 CA LEU E 51 118.105 5.928 -14.644 1.00 0.00 C ATOM 932 C LEU E 51 118.296 7.063 -13.643 1.00 0.00 C ATOM 933 O LEU E 51 117.591 8.074 -13.691 1.00 0.00 O ATOM 934 CB LEU E 51 117.293 4.801 -13.979 1.00 0.00 C ATOM 935 CG LEU E 51 116.064 4.370 -14.801 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.001 5.482 -14.806 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.458 3.998 -16.245 1.00 0.00 C ATOM 0 H LEU E 51 119.592 4.455 -14.759 1.00 0.00 H new ATOM 0 HA LEU E 51 117.572 6.288 -15.524 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.940 3.938 -13.826 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.965 5.132 -12.994 1.00 0.00 H new ATOM 0 HG LEU E 51 115.642 3.483 -14.328 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.140 5.160 -15.392 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.687 5.690 -13.783 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.422 6.386 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.568 3.698 -16.799 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.915 4.860 -16.731 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.169 3.172 -16.227 1.00 0.00 H new ATOM 949 N ASN E 52 119.274 6.876 -12.738 1.00 0.00 N ATOM 950 CA ASN E 52 119.589 7.879 -11.722 1.00 0.00 C ATOM 951 C ASN E 52 119.908 9.203 -12.414 1.00 0.00 C ATOM 952 O ASN E 52 119.471 10.272 -11.974 1.00 0.00 O ATOM 953 CB ASN E 52 120.788 7.418 -10.857 1.00 0.00 C ATOM 954 CG ASN E 52 120.987 8.391 -9.694 1.00 0.00 C ATOM 955 OD1 ASN E 52 122.070 8.950 -9.528 1.00 0.00 O ATOM 956 ND2 ASN E 52 119.997 8.636 -8.882 1.00 0.00 N ATOM 0 H ASN E 52 119.855 6.039 -12.695 1.00 0.00 H new ATOM 0 HA ASN E 52 118.731 8.010 -11.063 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.609 6.412 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.692 7.373 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN E 52 120.121 9.291 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN E 52 119.099 8.173 -9.019 1.00 0.00 H new ATOM 963 N ASP E 53 120.640 9.102 -13.526 1.00 0.00 N ATOM 964 CA ASP E 53 120.993 10.268 -14.330 1.00 0.00 C ATOM 965 C ASP E 53 119.816 10.668 -15.235 1.00 0.00 C ATOM 966 O ASP E 53 119.669 11.834 -15.604 1.00 0.00 O ATOM 967 CB ASP E 53 122.224 9.956 -15.191 1.00 0.00 C ATOM 968 CG ASP E 53 122.683 11.216 -15.929 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.456 11.967 -15.356 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.250 11.413 -17.054 1.00 0.00 O ATOM 0 H ASP E 53 121.000 8.219 -13.889 1.00 0.00 H new ATOM 0 HA ASP E 53 121.222 11.097 -13.661 1.00 0.00 H new ATOM 0 HB2 ASP E 53 123.031 9.579 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.986 9.171 -15.909 1.00 0.00 H new ATOM 975 N ALA E 54 119.002 9.670 -15.603 1.00 0.00 N ATOM 976 CA ALA E 54 117.845 9.878 -16.485 1.00 0.00 C ATOM 977 C ALA E 54 116.757 10.715 -15.810 1.00 0.00 C ATOM 978 O ALA E 54 116.015 11.431 -16.489 1.00 0.00 O ATOM 979 CB ALA E 54 117.248 8.523 -16.899 1.00 0.00 C ATOM 0 H ALA E 54 119.125 8.703 -15.301 1.00 0.00 H new ATOM 0 HA ALA E 54 118.200 10.419 -17.362 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.391 8.687 -17.552 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.002 7.940 -17.428 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.927 7.980 -16.010 1.00 0.00 H new ATOM 985 N GLN E 55 116.660 10.606 -14.481 1.00 0.00 N ATOM 986 CA GLN E 55 115.647 11.343 -13.714 1.00 0.00 C ATOM 987 C GLN E 55 116.307 12.296 -12.723 1.00 0.00 C ATOM 988 O GLN E 55 115.640 12.898 -11.875 1.00 0.00 O ATOM 989 CB GLN E 55 114.720 10.356 -12.992 1.00 0.00 C ATOM 990 CG GLN E 55 114.063 9.441 -14.040 1.00 0.00 C ATOM 991 CD GLN E 55 112.897 8.637 -13.453 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.256 7.873 -14.175 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.570 8.759 -12.196 1.00 0.00 N ATOM 0 H GLN E 55 117.269 10.016 -13.914 1.00 0.00 H new ATOM 0 HA GLN E 55 115.050 11.942 -14.402 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.286 9.763 -12.274 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.958 10.895 -12.430 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.703 10.045 -14.873 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.810 8.756 -14.442 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.096 9.390 -11.591 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.788 8.224 -11.818 1.00 0.00 H new ATOM 1002 N ALA E 56 117.625 12.412 -12.852 1.00 0.00 N ATOM 1003 CA ALA E 56 118.432 13.259 -12.002 1.00 0.00 C ATOM 1004 C ALA E 56 117.941 14.707 -12.007 1.00 0.00 C ATOM 1005 O ALA E 56 117.225 15.135 -12.917 1.00 0.00 O ATOM 1006 CB ALA E 56 119.888 13.191 -12.473 1.00 0.00 C ATOM 0 H ALA E 56 118.162 11.912 -13.560 1.00 0.00 H new ATOM 0 HA ALA E 56 118.351 12.897 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.506 13.827 -11.838 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.243 12.162 -12.411 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.953 13.536 -13.505 1.00 0.00 H new ATOM 1013 N GLY F 14 118.118 10.569 10.067 1.00 0.00 N ATOM 1014 CA GLY F 14 119.521 10.156 10.137 1.00 0.00 C ATOM 1015 C GLY F 14 119.652 8.673 10.417 1.00 0.00 C ATOM 1016 O GLY F 14 120.768 8.151 10.497 1.00 0.00 O ATOM 0 HA2 GLY F 14 120.019 10.395 9.197 1.00 0.00 H new ATOM 0 HA3 GLY F 14 120.029 10.721 10.919 1.00 0.00 H new ATOM 1020 N GLU F 15 118.516 8.001 10.564 1.00 0.00 N ATOM 1021 CA GLU F 15 118.513 6.580 10.836 1.00 0.00 C ATOM 1022 C GLU F 15 118.392 5.798 9.543 1.00 0.00 C ATOM 1023 O GLU F 15 117.642 6.181 8.645 1.00 0.00 O ATOM 1024 CB GLU F 15 117.344 6.220 11.742 1.00 0.00 C ATOM 1025 CG GLU F 15 117.633 4.871 12.388 1.00 0.00 C ATOM 1026 CD GLU F 15 116.488 4.458 13.319 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.397 4.223 12.820 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.719 4.377 14.515 1.00 0.00 O ATOM 0 H GLU F 15 117.589 8.422 10.498 1.00 0.00 H new ATOM 0 HA GLU F 15 119.451 6.325 11.330 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.207 6.985 12.506 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.419 6.175 11.167 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.771 4.115 11.615 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.565 4.924 12.951 1.00 0.00 H new ATOM 1035 N ILE F 16 119.128 4.699 9.471 1.00 0.00 N ATOM 1036 CA ILE F 16 119.116 3.837 8.298 1.00 0.00 C ATOM 1037 C ILE F 16 118.540 2.469 8.655 1.00 0.00 C ATOM 1038 O ILE F 16 118.717 1.977 9.774 1.00 0.00 O ATOM 1039 CB ILE F 16 120.537 3.698 7.752 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.024 5.058 7.216 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.564 2.648 6.627 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.496 4.966 6.793 1.00 0.00 C ATOM 0 H ILE F 16 119.746 4.381 10.218 1.00 0.00 H new ATOM 0 HA ILE F 16 118.484 4.282 7.529 1.00 0.00 H new ATOM 0 HB ILE F 16 121.200 3.374 8.554 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.413 5.362 6.366 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.906 5.823 7.984 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.579 2.553 6.242 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.234 1.686 7.019 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.898 2.960 5.822 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.827 5.934 6.416 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.104 4.683 7.652 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.603 4.216 6.010 1.00 0.00 H new ATOM 1054 N VAL F 17 117.835 1.882 7.690 1.00 0.00 N ATOM 1055 CA VAL F 17 117.195 0.581 7.862 1.00 0.00 C ATOM 1056 C VAL F 17 117.529 -0.335 6.683 1.00 0.00 C ATOM 1057 O VAL F 17 117.129 -0.054 5.554 1.00 0.00 O ATOM 1058 CB VAL F 17 115.675 0.824 7.958 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.874 -0.435 7.576 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.320 1.248 9.392 1.00 0.00 C ATOM 0 H VAL F 17 117.692 2.295 6.768 1.00 0.00 H new ATOM 0 HA VAL F 17 117.555 0.089 8.766 1.00 0.00 H new ATOM 0 HB VAL F 17 115.410 1.613 7.255 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.807 -0.226 7.656 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.112 -0.721 6.552 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.135 -1.251 8.250 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.246 1.421 9.465 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.608 0.459 10.087 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.853 2.165 9.643 1.00 0.00 H new ATOM 1070 N TYR F 18 118.242 -1.438 6.961 1.00 0.00 N ATOM 1071 CA TYR F 18 118.614 -2.404 5.919 1.00 0.00 C ATOM 1072 C TYR F 18 117.582 -3.519 5.847 1.00 0.00 C ATOM 1073 O TYR F 18 117.151 -4.042 6.878 1.00 0.00 O ATOM 1074 CB TYR F 18 120.017 -2.985 6.205 1.00 0.00 C ATOM 1075 CG TYR F 18 121.070 -2.168 5.472 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.019 -0.770 5.512 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.076 -2.806 4.728 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.960 -0.013 4.817 1.00 0.00 C ATOM 1079 CE2 TYR F 18 123.023 -2.043 4.037 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.964 -0.646 4.079 1.00 0.00 C ATOM 1081 OH TYR F 18 123.895 0.105 3.393 1.00 0.00 O ATOM 0 H TYR F 18 118.571 -1.681 7.895 1.00 0.00 H new ATOM 0 HA TYR F 18 118.641 -1.892 4.957 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.215 -2.973 7.277 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.062 -4.026 5.884 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.247 -0.276 6.084 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.118 -3.884 4.689 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.913 1.066 4.849 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.801 -2.533 3.470 1.00 0.00 H new ATOM 0 HH TYR F 18 123.477 0.497 2.598 1.00 0.00 H new ATOM 1091 N LEU F 19 117.169 -3.852 4.615 1.00 0.00 N ATOM 1092 CA LEU F 19 116.146 -4.891 4.401 1.00 0.00 C ATOM 1093 C LEU F 19 116.657 -6.024 3.489 1.00 0.00 C ATOM 1094 O LEU F 19 116.314 -6.076 2.301 1.00 0.00 O ATOM 1095 CB LEU F 19 114.883 -4.247 3.792 1.00 0.00 C ATOM 1096 CG LEU F 19 114.363 -3.110 4.704 1.00 0.00 C ATOM 1097 CD1 LEU F 19 114.097 -1.852 3.867 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.065 -3.546 5.402 1.00 0.00 C ATOM 0 H LEU F 19 117.522 -3.423 3.759 1.00 0.00 H new ATOM 0 HA LEU F 19 115.908 -5.336 5.367 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.110 -3.852 2.802 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.108 -5.002 3.664 1.00 0.00 H new ATOM 0 HG LEU F 19 115.119 -2.890 5.458 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.731 -1.055 4.514 1.00 0.00 H new ATOM 0 HD12 LEU F 19 115.021 -1.533 3.386 1.00 0.00 H new ATOM 0 HD13 LEU F 19 113.349 -2.073 3.106 1.00 0.00 H new ATOM 0 HD21 LEU F 19 112.707 -2.739 6.041 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.309 -3.777 4.652 1.00 0.00 H new ATOM 0 HD23 LEU F 19 113.258 -4.431 6.008 1.00 0.00 H new ATOM 1110 N PRO F 20 117.452 -6.940 4.020 1.00 0.00 N ATOM 1111 CA PRO F 20 117.992 -8.095 3.245 1.00 0.00 C ATOM 1112 C PRO F 20 117.015 -9.281 3.219 1.00 0.00 C ATOM 1113 O PRO F 20 116.604 -9.735 2.148 1.00 0.00 O ATOM 1114 CB PRO F 20 119.279 -8.446 3.996 1.00 0.00 C ATOM 1115 CG PRO F 20 119.032 -8.052 5.420 1.00 0.00 C ATOM 1116 CD PRO F 20 117.934 -6.975 5.416 1.00 0.00 C ATOM 0 HA PRO F 20 118.158 -7.855 2.195 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.502 -9.510 3.916 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.133 -7.909 3.583 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.721 -8.915 6.008 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.945 -7.668 5.876 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.129 -7.226 6.107 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.328 -6.006 5.724 1.00 0.00 H new ATOM 1124 N ASN F 21 116.657 -9.774 4.411 1.00 0.00 N ATOM 1125 CA ASN F 21 115.737 -10.909 4.544 1.00 0.00 C ATOM 1126 C ASN F 21 114.367 -10.608 3.930 1.00 0.00 C ATOM 1127 O ASN F 21 113.649 -11.530 3.533 1.00 0.00 O ATOM 1128 CB ASN F 21 115.557 -11.263 6.026 1.00 0.00 C ATOM 1129 CG ASN F 21 116.869 -11.762 6.639 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.781 -12.189 5.928 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.011 -11.736 7.934 1.00 0.00 N ATOM 0 H ASN F 21 116.992 -9.403 5.300 1.00 0.00 H new ATOM 0 HA ASN F 21 116.174 -11.749 4.005 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.207 -10.387 6.572 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.789 -12.030 6.129 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.876 -12.069 8.359 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.257 -11.383 8.523 1.00 0.00 H new ATOM 1138 N LEU F 22 114.002 -9.321 3.880 1.00 0.00 N ATOM 1139 CA LEU F 22 112.704 -8.889 3.341 1.00 0.00 C ATOM 1140 C LEU F 22 112.465 -9.437 1.927 1.00 0.00 C ATOM 1141 O LEU F 22 113.419 -9.692 1.185 1.00 0.00 O ATOM 1142 CB LEU F 22 112.655 -7.354 3.309 1.00 0.00 C ATOM 1143 CG LEU F 22 111.214 -6.853 3.535 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.025 -6.424 5.006 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.940 -5.664 2.595 1.00 0.00 C ATOM 0 H LEU F 22 114.591 -8.555 4.208 1.00 0.00 H new ATOM 0 HA LEU F 22 111.921 -9.282 3.989 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.312 -6.948 4.078 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.025 -6.993 2.350 1.00 0.00 H new ATOM 0 HG LEU F 22 110.511 -7.657 3.318 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.004 -6.072 5.154 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.214 -7.275 5.660 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.723 -5.622 5.244 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.923 -5.305 2.750 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.645 -4.861 2.809 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.058 -5.984 1.560 1.00 0.00 H new ATOM 1157 N ASN F 23 111.186 -9.609 1.567 1.00 0.00 N ATOM 1158 CA ASN F 23 110.826 -10.119 0.244 1.00 0.00 C ATOM 1159 C ASN F 23 110.716 -8.956 -0.745 1.00 0.00 C ATOM 1160 O ASN F 23 110.379 -7.839 -0.344 1.00 0.00 O ATOM 1161 CB ASN F 23 109.487 -10.866 0.318 1.00 0.00 C ATOM 1162 CG ASN F 23 109.656 -12.180 1.077 1.00 0.00 C ATOM 1163 OD1 ASN F 23 110.094 -12.163 2.305 1.00 0.00 O flip ATOM 1164 ND2 ASN F 23 109.380 -13.253 0.538 1.00 0.00 N flip ATOM 0 H ASN F 23 110.390 -9.403 2.171 1.00 0.00 H new ATOM 0 HA ASN F 23 111.599 -10.808 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.743 -10.244 0.815 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.117 -11.064 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN F 23 109.037 -13.268 -0.423 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.494 -14.126 1.052 1.00 0.00 H new ATOM 1171 N PRO F 24 110.987 -9.176 -2.020 1.00 0.00 N ATOM 1172 CA PRO F 24 110.896 -8.086 -3.036 1.00 0.00 C ATOM 1173 C PRO F 24 109.490 -7.496 -3.077 1.00 0.00 C ATOM 1174 O PRO F 24 109.317 -6.287 -3.264 1.00 0.00 O ATOM 1175 CB PRO F 24 111.262 -8.758 -4.369 1.00 0.00 C ATOM 1176 CG PRO F 24 111.903 -10.063 -4.017 1.00 0.00 C ATOM 1177 CD PRO F 24 111.398 -10.456 -2.628 1.00 0.00 C ATOM 0 HA PRO F 24 111.561 -7.253 -2.808 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.375 -8.913 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.943 -8.133 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.646 -10.828 -4.750 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.989 -9.971 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.563 -11.154 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.178 -10.943 -2.043 1.00 0.00 H new ATOM 1185 N ASP F 25 108.491 -8.360 -2.862 1.00 0.00 N ATOM 1186 CA ASP F 25 107.094 -7.932 -2.834 1.00 0.00 C ATOM 1187 C ASP F 25 106.917 -6.887 -1.740 1.00 0.00 C ATOM 1188 O ASP F 25 106.272 -5.852 -1.939 1.00 0.00 O ATOM 1189 CB ASP F 25 106.191 -9.131 -2.522 1.00 0.00 C ATOM 1190 CG ASP F 25 106.313 -10.193 -3.619 1.00 0.00 C ATOM 1191 OD1 ASP F 25 105.912 -9.911 -4.738 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.802 -11.272 -3.325 1.00 0.00 O ATOM 0 H ASP F 25 108.627 -9.359 -2.705 1.00 0.00 H new ATOM 0 HA ASP F 25 106.825 -7.514 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.467 -9.561 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.155 -8.802 -2.439 1.00 0.00 H new ATOM 1197 N GLN F 26 107.527 -7.177 -0.592 1.00 0.00 N ATOM 1198 CA GLN F 26 107.484 -6.283 0.550 1.00 0.00 C ATOM 1199 C GLN F 26 108.243 -4.989 0.243 1.00 0.00 C ATOM 1200 O GLN F 26 107.830 -3.912 0.679 1.00 0.00 O ATOM 1201 CB GLN F 26 108.069 -6.979 1.783 1.00 0.00 C ATOM 1202 CG GLN F 26 107.160 -8.140 2.216 1.00 0.00 C ATOM 1203 CD GLN F 26 105.776 -7.629 2.616 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.665 -6.576 3.379 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 104.767 -8.210 2.224 1.00 0.00 N flip ATOM 0 H GLN F 26 108.059 -8.033 -0.434 1.00 0.00 H new ATOM 0 HA GLN F 26 106.446 -6.025 0.759 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.068 -7.353 1.559 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.172 -6.264 2.599 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.066 -8.857 1.400 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.613 -8.669 3.054 1.00 0.00 H new ATOM 0 HE21 GLN F 26 104.852 -9.033 1.628 1.00 0.00 H new ATOM 0 HE22 GLN F 26 103.845 -7.869 2.495 1.00 0.00 H new ATOM 1214 N LEU F 27 109.347 -5.096 -0.521 1.00 0.00 N ATOM 1215 CA LEU F 27 110.135 -3.910 -0.883 1.00 0.00 C ATOM 1216 C LEU F 27 109.305 -2.953 -1.739 1.00 0.00 C ATOM 1217 O LEU F 27 109.309 -1.748 -1.503 1.00 0.00 O ATOM 1218 CB LEU F 27 111.414 -4.298 -1.655 1.00 0.00 C ATOM 1219 CG LEU F 27 112.534 -4.748 -0.693 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.722 -5.282 -1.511 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.007 -3.553 0.157 1.00 0.00 C ATOM 0 H LEU F 27 109.706 -5.976 -0.892 1.00 0.00 H new ATOM 0 HA LEU F 27 110.421 -3.416 0.046 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.189 -5.102 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.758 -3.448 -2.245 1.00 0.00 H new ATOM 0 HG LEU F 27 112.150 -5.530 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.515 -5.601 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.397 -6.130 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.097 -4.494 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.797 -3.878 0.834 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.389 -2.769 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.170 -3.165 0.737 1.00 0.00 H new ATOM 1233 N CYS F 28 108.587 -3.495 -2.731 1.00 0.00 N ATOM 1234 CA CYS F 28 107.755 -2.661 -3.609 1.00 0.00 C ATOM 1235 C CYS F 28 106.690 -1.927 -2.792 1.00 0.00 C ATOM 1236 O CYS F 28 106.506 -0.715 -2.942 1.00 0.00 O ATOM 1237 CB CYS F 28 107.089 -3.522 -4.690 1.00 0.00 C ATOM 1238 SG CYS F 28 106.389 -2.449 -5.972 1.00 0.00 S ATOM 0 H CYS F 28 108.564 -4.492 -2.944 1.00 0.00 H new ATOM 0 HA CYS F 28 108.395 -1.924 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.819 -4.202 -5.129 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.305 -4.137 -4.248 1.00 0.00 H new ATOM 1243 N ALA F 29 106.014 -2.670 -1.911 1.00 0.00 N ATOM 1244 CA ALA F 29 104.988 -2.088 -1.048 1.00 0.00 C ATOM 1245 C ALA F 29 105.625 -1.065 -0.106 1.00 0.00 C ATOM 1246 O ALA F 29 105.051 -0.005 0.161 1.00 0.00 O ATOM 1247 CB ALA F 29 104.307 -3.190 -0.227 1.00 0.00 C ATOM 0 H ALA F 29 106.159 -3.671 -1.779 1.00 0.00 H new ATOM 0 HA ALA F 29 104.242 -1.592 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.544 -2.748 0.413 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.843 -3.911 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.050 -3.696 0.390 1.00 0.00 H new ATOM 1253 N PHE F 30 106.823 -1.401 0.382 1.00 0.00 N ATOM 1254 CA PHE F 30 107.567 -0.533 1.292 1.00 0.00 C ATOM 1255 C PHE F 30 107.895 0.802 0.617 1.00 0.00 C ATOM 1256 O PHE F 30 107.593 1.865 1.161 1.00 0.00 O ATOM 1257 CB PHE F 30 108.858 -1.256 1.728 1.00 0.00 C ATOM 1258 CG PHE F 30 109.754 -0.343 2.547 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.254 0.289 3.695 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.092 -0.138 2.163 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.081 1.123 4.451 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.916 0.697 2.923 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.410 1.327 4.068 1.00 0.00 C ATOM 0 H PHE F 30 107.299 -2.275 0.158 1.00 0.00 H new ATOM 0 HA PHE F 30 106.958 -0.318 2.170 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.602 -2.139 2.314 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.398 -1.603 0.847 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.229 0.131 3.995 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.482 -0.625 1.282 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.693 1.611 5.333 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.943 0.857 2.628 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.048 1.971 4.655 1.00 0.00 H new ATOM 1273 N ILE F 31 108.506 0.732 -0.568 1.00 0.00 N ATOM 1274 CA ILE F 31 108.873 1.941 -1.310 1.00 0.00 C ATOM 1275 C ILE F 31 107.638 2.785 -1.620 1.00 0.00 C ATOM 1276 O ILE F 31 107.676 4.015 -1.499 1.00 0.00 O ATOM 1277 CB ILE F 31 109.621 1.567 -2.603 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.928 0.849 -2.230 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.953 2.838 -3.409 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.639 0.338 -3.484 1.00 0.00 C ATOM 0 H ILE F 31 108.756 -0.142 -1.032 1.00 0.00 H new ATOM 0 HA ILE F 31 109.538 2.539 -0.688 1.00 0.00 H new ATOM 0 HB ILE F 31 108.992 0.916 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.582 1.532 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.713 0.015 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.482 2.562 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.030 3.357 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.583 3.495 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.562 -0.167 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE F 31 110.990 -0.362 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.873 1.178 -4.138 1.00 0.00 H new ATOM 1292 N HIS F 32 106.543 2.119 -2.004 1.00 0.00 N ATOM 1293 CA HIS F 32 105.291 2.817 -2.315 1.00 0.00 C ATOM 1294 C HIS F 32 104.797 3.587 -1.086 1.00 0.00 C ATOM 1295 O HIS F 32 104.328 4.720 -1.200 1.00 0.00 O ATOM 1296 CB HIS F 32 104.224 1.805 -2.764 1.00 0.00 C ATOM 1297 CG HIS F 32 102.994 2.537 -3.241 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.125 3.172 -2.368 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.477 2.742 -4.497 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.142 3.725 -3.103 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.309 3.492 -4.407 1.00 0.00 N ATOM 0 H HIS F 32 106.498 1.105 -2.106 1.00 0.00 H new ATOM 0 HA HIS F 32 105.473 3.524 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.618 1.178 -3.564 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.967 1.143 -1.937 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.912 2.376 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.319 4.288 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.709 3.798 -5.173 1.00 0.00 H new ATOM 1310 N SER F 33 104.919 2.955 0.085 1.00 0.00 N ATOM 1311 CA SER F 33 104.495 3.575 1.340 1.00 0.00 C ATOM 1312 C SER F 33 105.353 4.808 1.660 1.00 0.00 C ATOM 1313 O SER F 33 104.824 5.839 2.087 1.00 0.00 O ATOM 1314 CB SER F 33 104.581 2.556 2.481 1.00 0.00 C ATOM 1315 OG SER F 33 103.837 1.394 2.134 1.00 0.00 O ATOM 0 H SER F 33 105.307 2.017 0.188 1.00 0.00 H new ATOM 0 HA SER F 33 103.461 3.902 1.231 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.622 2.292 2.670 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.190 2.990 3.401 1.00 0.00 H new ATOM 0 HG SER F 33 104.316 0.894 1.440 1.00 0.00 H new ATOM 1321 N LEU F 34 106.678 4.697 1.448 1.00 0.00 N ATOM 1322 CA LEU F 34 107.597 5.812 1.716 1.00 0.00 C ATOM 1323 C LEU F 34 107.246 7.016 0.834 1.00 0.00 C ATOM 1324 O LEU F 34 107.159 8.147 1.317 1.00 0.00 O ATOM 1325 CB LEU F 34 109.058 5.398 1.424 1.00 0.00 C ATOM 1326 CG LEU F 34 109.487 4.195 2.292 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.710 3.496 1.658 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.853 4.681 3.700 1.00 0.00 C ATOM 0 H LEU F 34 107.130 3.853 1.095 1.00 0.00 H new ATOM 0 HA LEU F 34 107.496 6.080 2.768 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.162 5.143 0.369 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.722 6.241 1.615 1.00 0.00 H new ATOM 0 HG LEU F 34 108.660 3.488 2.352 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.006 2.649 2.277 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.451 3.143 0.660 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.538 4.202 1.590 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.155 3.831 4.311 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.676 5.393 3.637 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.988 5.165 4.154 1.00 0.00 H new ATOM 1340 N HIS F 35 107.062 6.752 -0.465 1.00 0.00 N ATOM 1341 CA HIS F 35 106.735 7.804 -1.436 1.00 0.00 C ATOM 1342 C HIS F 35 105.322 8.358 -1.218 1.00 0.00 C ATOM 1343 O HIS F 35 105.114 9.573 -1.272 1.00 0.00 O ATOM 1344 CB HIS F 35 106.859 7.240 -2.861 1.00 0.00 C ATOM 1345 CG HIS F 35 106.714 8.348 -3.875 1.00 0.00 C ATOM 1346 ND1 HIS F 35 107.686 9.320 -4.052 1.00 0.00 N ATOM 1347 CD2 HIS F 35 105.714 8.652 -4.768 1.00 0.00 C ATOM 1348 CE1 HIS F 35 107.255 10.155 -5.017 1.00 0.00 C ATOM 1349 NE2 HIS F 35 106.059 9.791 -5.488 1.00 0.00 N ATOM 0 H HIS F 35 107.134 5.818 -0.869 1.00 0.00 H new ATOM 0 HA HIS F 35 107.438 8.625 -1.296 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.825 6.750 -2.983 1.00 0.00 H new ATOM 0 HB3 HIS F 35 106.094 6.482 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS F 35 104.799 8.091 -4.892 1.00 0.00 H new ATOM 0 HE1 HIS F 35 107.809 11.014 -5.367 1.00 0.00 H new ATOM 0 HE2 HIS F 35 105.515 10.250 -6.219 1.00 0.00 H new ATOM 1358 N ASP F 36 104.358 7.455 -0.991 1.00 0.00 N ATOM 1359 CA ASP F 36 102.954 7.844 -0.784 1.00 0.00 C ATOM 1360 C ASP F 36 102.818 8.861 0.356 1.00 0.00 C ATOM 1361 O ASP F 36 101.986 9.770 0.287 1.00 0.00 O ATOM 1362 CB ASP F 36 102.113 6.595 -0.477 1.00 0.00 C ATOM 1363 CG ASP F 36 100.626 6.958 -0.402 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.989 6.988 -1.443 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.147 7.201 0.696 1.00 0.00 O ATOM 0 H ASP F 36 104.524 6.450 -0.946 1.00 0.00 H new ATOM 0 HA ASP F 36 102.592 8.315 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.272 5.843 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.435 6.155 0.467 1.00 0.00 H new ATOM 1370 N ASP F 37 103.643 8.696 1.393 1.00 0.00 N ATOM 1371 CA ASP F 37 103.624 9.596 2.544 1.00 0.00 C ATOM 1372 C ASP F 37 105.025 9.659 3.177 1.00 0.00 C ATOM 1373 O ASP F 37 105.490 8.666 3.743 1.00 0.00 O ATOM 1374 CB ASP F 37 102.596 9.099 3.568 1.00 0.00 C ATOM 1375 CG ASP F 37 102.435 10.120 4.693 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.290 10.156 5.561 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.460 10.855 4.669 1.00 0.00 O ATOM 0 H ASP F 37 104.332 7.947 1.457 1.00 0.00 H new ATOM 0 HA ASP F 37 103.342 10.598 2.219 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.636 8.932 3.079 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.915 8.141 3.979 1.00 0.00 H new ATOM 1382 N PRO F 38 105.717 10.785 3.071 1.00 0.00 N ATOM 1383 CA PRO F 38 107.100 10.941 3.629 1.00 0.00 C ATOM 1384 C PRO F 38 107.129 11.176 5.143 1.00 0.00 C ATOM 1385 O PRO F 38 108.108 10.822 5.805 1.00 0.00 O ATOM 1386 CB PRO F 38 107.644 12.157 2.876 1.00 0.00 C ATOM 1387 CG PRO F 38 106.447 12.994 2.569 1.00 0.00 C ATOM 1388 CD PRO F 38 105.266 12.031 2.411 1.00 0.00 C ATOM 0 HA PRO F 38 107.689 10.034 3.496 1.00 0.00 H new ATOM 0 HB2 PRO F 38 108.364 12.706 3.483 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.159 11.857 1.964 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.259 13.709 3.370 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.601 13.570 1.657 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.365 12.426 2.881 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.029 11.861 1.361 1.00 0.00 H new ATOM 1396 N SER F 39 106.074 11.790 5.686 1.00 0.00 N ATOM 1397 CA SER F 39 106.024 12.080 7.123 1.00 0.00 C ATOM 1398 C SER F 39 105.994 10.799 7.963 1.00 0.00 C ATOM 1399 O SER F 39 106.438 10.808 9.113 1.00 0.00 O ATOM 1400 CB SER F 39 104.807 12.953 7.459 1.00 0.00 C ATOM 1401 OG SER F 39 103.606 12.210 7.286 1.00 0.00 O ATOM 0 H SER F 39 105.253 12.093 5.161 1.00 0.00 H new ATOM 0 HA SER F 39 106.935 12.624 7.372 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.878 13.309 8.487 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.794 13.834 6.817 1.00 0.00 H new ATOM 0 HG SER F 39 103.766 11.471 6.663 1.00 0.00 H new ATOM 1407 N GLN F 40 105.459 9.709 7.391 1.00 0.00 N ATOM 1408 CA GLN F 40 105.368 8.429 8.109 1.00 0.00 C ATOM 1409 C GLN F 40 106.480 7.459 7.703 1.00 0.00 C ATOM 1410 O GLN F 40 106.558 6.352 8.237 1.00 0.00 O ATOM 1411 CB GLN F 40 103.993 7.782 7.861 1.00 0.00 C ATOM 1412 CG GLN F 40 103.931 7.101 6.481 1.00 0.00 C ATOM 1413 CD GLN F 40 102.517 6.582 6.180 1.00 0.00 C ATOM 1414 OE1 GLN F 40 102.280 6.035 5.104 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.561 6.715 7.062 1.00 0.00 N ATOM 0 H GLN F 40 105.086 9.688 6.442 1.00 0.00 H new ATOM 0 HA GLN F 40 105.489 8.642 9.171 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.789 7.047 8.640 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.215 8.542 7.928 1.00 0.00 H new ATOM 0 HG2 GLN F 40 104.233 7.809 5.709 1.00 0.00 H new ATOM 0 HG3 GLN F 40 104.639 6.273 6.449 1.00 0.00 H new ATOM 0 HE21 GLN F 40 101.751 7.168 7.956 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.625 6.366 6.856 1.00 0.00 H new ATOM 1424 N SER F 41 107.326 7.870 6.757 1.00 0.00 N ATOM 1425 CA SER F 41 108.421 7.018 6.279 1.00 0.00 C ATOM 1426 C SER F 41 109.264 6.497 7.446 1.00 0.00 C ATOM 1427 O SER F 41 109.666 5.331 7.455 1.00 0.00 O ATOM 1428 CB SER F 41 109.274 7.814 5.297 1.00 0.00 C ATOM 1429 OG SER F 41 110.545 7.195 5.131 1.00 0.00 O ATOM 0 H SER F 41 107.276 8.784 6.307 1.00 0.00 H new ATOM 0 HA SER F 41 108.005 6.147 5.772 1.00 0.00 H new ATOM 0 HB2 SER F 41 108.766 7.881 4.335 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.403 8.833 5.661 1.00 0.00 H new ATOM 0 HG SER F 41 111.146 7.484 5.849 1.00 0.00 H new ATOM 1435 N ALA F 42 109.496 7.360 8.433 1.00 0.00 N ATOM 1436 CA ALA F 42 110.259 6.980 9.624 1.00 0.00 C ATOM 1437 C ALA F 42 109.543 5.841 10.360 1.00 0.00 C ATOM 1438 O ALA F 42 110.181 4.890 10.821 1.00 0.00 O ATOM 1439 CB ALA F 42 110.413 8.187 10.556 1.00 0.00 C ATOM 0 H ALA F 42 109.168 8.326 8.433 1.00 0.00 H new ATOM 0 HA ALA F 42 111.249 6.641 9.318 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.982 7.895 11.439 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.939 8.986 10.033 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.428 8.540 10.860 1.00 0.00 H new ATOM 1445 N ASN F 43 108.207 5.934 10.432 1.00 0.00 N ATOM 1446 CA ASN F 43 107.402 4.894 11.076 1.00 0.00 C ATOM 1447 C ASN F 43 107.435 3.622 10.237 1.00 0.00 C ATOM 1448 O ASN F 43 107.542 2.516 10.774 1.00 0.00 O ATOM 1449 CB ASN F 43 105.952 5.360 11.239 1.00 0.00 C ATOM 1450 CG ASN F 43 105.884 6.518 12.228 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.588 7.651 11.847 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.137 6.296 13.487 1.00 0.00 N ATOM 0 H ASN F 43 107.668 6.713 10.055 1.00 0.00 H new ATOM 0 HA ASN F 43 107.821 4.693 12.062 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.551 5.671 10.274 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.333 4.534 11.590 1.00 0.00 H new ATOM 0 HD21 ASN F 43 106.090 7.062 14.159 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.382 5.357 13.800 1.00 0.00 H new ATOM 1459 N LEU F 44 107.358 3.794 8.909 1.00 0.00 N ATOM 1460 CA LEU F 44 107.397 2.661 7.981 1.00 0.00 C ATOM 1461 C LEU F 44 108.718 1.918 8.127 1.00 0.00 C ATOM 1462 O LEU F 44 108.758 0.696 8.024 1.00 0.00 O ATOM 1463 CB LEU F 44 107.248 3.146 6.532 1.00 0.00 C ATOM 1464 CG LEU F 44 105.865 3.780 6.316 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.842 4.503 4.961 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.781 2.691 6.336 1.00 0.00 C ATOM 0 H LEU F 44 107.269 4.704 8.458 1.00 0.00 H new ATOM 0 HA LEU F 44 106.570 1.992 8.220 1.00 0.00 H new ATOM 0 HB2 LEU F 44 108.027 3.873 6.304 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.382 2.309 5.847 1.00 0.00 H new ATOM 0 HG LEU F 44 105.668 4.494 7.116 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.862 4.954 4.806 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.605 5.281 4.951 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.043 3.788 4.163 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.803 3.148 6.182 1.00 0.00 H new ATOM 0 HD22 LEU F 44 104.974 1.971 5.541 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.796 2.181 7.299 1.00 0.00 H new ATOM 1478 N LEU F 45 109.788 2.677 8.382 1.00 0.00 N ATOM 1479 CA LEU F 45 111.113 2.094 8.564 1.00 0.00 C ATOM 1480 C LEU F 45 111.113 1.142 9.756 1.00 0.00 C ATOM 1481 O LEU F 45 111.728 0.082 9.702 1.00 0.00 O ATOM 1482 CB LEU F 45 112.160 3.204 8.784 1.00 0.00 C ATOM 1483 CG LEU F 45 113.012 3.387 7.518 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.172 4.070 6.419 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.242 4.264 7.828 1.00 0.00 C ATOM 0 H LEU F 45 109.759 3.693 8.466 1.00 0.00 H new ATOM 0 HA LEU F 45 111.371 1.536 7.664 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.661 4.140 9.034 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.800 2.948 9.628 1.00 0.00 H new ATOM 0 HG LEU F 45 113.343 2.407 7.175 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.780 4.198 5.523 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.306 3.450 6.185 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.836 5.045 6.771 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.838 4.387 6.924 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.912 5.241 8.181 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.846 3.785 8.599 1.00 0.00 H new ATOM 1497 N ALA F 46 110.420 1.536 10.827 1.00 0.00 N ATOM 1498 CA ALA F 46 110.344 0.716 12.034 1.00 0.00 C ATOM 1499 C ALA F 46 109.660 -0.618 11.745 1.00 0.00 C ATOM 1500 O ALA F 46 110.209 -1.673 12.066 1.00 0.00 O ATOM 1501 CB ALA F 46 109.575 1.469 13.128 1.00 0.00 C ATOM 0 H ALA F 46 109.906 2.415 10.881 1.00 0.00 H new ATOM 0 HA ALA F 46 111.359 0.514 12.376 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.522 0.852 14.025 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.090 2.402 13.359 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.566 1.689 12.778 1.00 0.00 H new ATOM 1507 N GLU F 47 108.465 -0.574 11.141 1.00 0.00 N ATOM 1508 CA GLU F 47 107.740 -1.808 10.828 1.00 0.00 C ATOM 1509 C GLU F 47 108.441 -2.597 9.728 1.00 0.00 C ATOM 1510 O GLU F 47 108.513 -3.815 9.806 1.00 0.00 O ATOM 1511 CB GLU F 47 106.311 -1.526 10.378 1.00 0.00 C ATOM 1512 CG GLU F 47 105.474 -0.929 11.522 1.00 0.00 C ATOM 1513 CD GLU F 47 105.425 -1.873 12.735 1.00 0.00 C ATOM 1514 OE1 GLU F 47 104.993 -3.004 12.568 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.807 -1.446 13.814 1.00 0.00 O ATOM 0 H GLU F 47 107.989 0.285 10.865 1.00 0.00 H new ATOM 0 HA GLU F 47 107.720 -2.392 11.748 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.322 -0.836 9.534 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.848 -2.449 10.029 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.897 0.030 11.822 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.461 -0.734 11.170 1.00 0.00 H new ATOM 1522 N ALA F 48 108.955 -1.894 8.705 1.00 0.00 N ATOM 1523 CA ALA F 48 109.658 -2.546 7.590 1.00 0.00 C ATOM 1524 C ALA F 48 110.883 -3.273 8.125 1.00 0.00 C ATOM 1525 O ALA F 48 111.111 -4.448 7.831 1.00 0.00 O ATOM 1526 CB ALA F 48 110.089 -1.494 6.562 1.00 0.00 C ATOM 0 H ALA F 48 108.897 -0.879 8.628 1.00 0.00 H new ATOM 0 HA ALA F 48 108.991 -3.261 7.108 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.609 -1.982 5.738 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.209 -0.977 6.180 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.756 -0.774 7.036 1.00 0.00 H new ATOM 1532 N LYS F 49 111.633 -2.565 8.962 1.00 0.00 N ATOM 1533 CA LYS F 49 112.802 -3.128 9.607 1.00 0.00 C ATOM 1534 C LYS F 49 112.360 -4.263 10.542 1.00 0.00 C ATOM 1535 O LYS F 49 113.012 -5.311 10.623 1.00 0.00 O ATOM 1536 CB LYS F 49 113.504 -2.022 10.408 1.00 0.00 C ATOM 1537 CG LYS F 49 114.769 -2.566 11.097 1.00 0.00 C ATOM 1538 CD LYS F 49 115.092 -1.703 12.322 1.00 0.00 C ATOM 1539 CE LYS F 49 114.099 -1.978 13.463 1.00 0.00 C ATOM 1540 NZ LYS F 49 114.393 -3.309 14.069 1.00 0.00 N ATOM 0 H LYS F 49 111.446 -1.593 9.208 1.00 0.00 H new ATOM 0 HA LYS F 49 113.492 -3.528 8.865 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.771 -1.199 9.744 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.821 -1.619 11.156 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.615 -3.602 11.399 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.608 -2.558 10.401 1.00 0.00 H new ATOM 0 HD2 LYS F 49 116.107 -1.910 12.660 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.056 -0.648 12.049 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.174 -1.197 14.220 1.00 0.00 H new ATOM 0 HE3 LYS F 49 113.078 -1.957 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 113.892 -3.396 14.976 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.076 -4.061 13.425 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 115.417 -3.399 14.229 1.00 0.00 H new ATOM 1554 N LYS F 50 111.227 -4.044 11.231 1.00 0.00 N ATOM 1555 CA LYS F 50 110.683 -5.042 12.148 1.00 0.00 C ATOM 1556 C LYS F 50 110.280 -6.270 11.345 1.00 0.00 C ATOM 1557 O LYS F 50 110.387 -7.404 11.807 1.00 0.00 O ATOM 1558 CB LYS F 50 109.474 -4.450 12.897 1.00 0.00 C ATOM 1559 CG LYS F 50 108.862 -5.474 13.866 1.00 0.00 C ATOM 1560 CD LYS F 50 107.554 -4.922 14.462 1.00 0.00 C ATOM 1561 CE LYS F 50 107.836 -3.678 15.316 1.00 0.00 C ATOM 1562 NZ LYS F 50 106.565 -3.206 15.938 1.00 0.00 N ATOM 0 H LYS F 50 110.678 -3.187 11.166 1.00 0.00 H new ATOM 0 HA LYS F 50 111.431 -5.330 12.887 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.784 -3.563 13.450 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.719 -4.130 12.179 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.666 -6.410 13.342 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.569 -5.698 14.665 1.00 0.00 H new ATOM 0 HD2 LYS F 50 106.860 -4.670 13.660 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.073 -5.687 15.071 1.00 0.00 H new ATOM 0 HE2 LYS F 50 108.567 -3.912 16.090 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.267 -2.889 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 106.775 -2.732 16.840 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.092 -2.537 15.297 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.940 -4.019 16.111 1.00 0.00 H new ATOM 1576 N LEU F 51 109.835 -6.000 10.123 1.00 0.00 N ATOM 1577 CA LEU F 51 109.430 -7.036 9.203 1.00 0.00 C ATOM 1578 C LEU F 51 110.655 -7.840 8.802 1.00 0.00 C ATOM 1579 O LEU F 51 110.601 -9.064 8.720 1.00 0.00 O ATOM 1580 CB LEU F 51 108.778 -6.392 7.975 1.00 0.00 C ATOM 1581 CG LEU F 51 107.761 -7.344 7.341 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.617 -7.614 8.337 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.211 -6.690 6.069 1.00 0.00 C ATOM 0 H LEU F 51 109.748 -5.055 9.750 1.00 0.00 H new ATOM 0 HA LEU F 51 108.706 -7.702 9.672 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.284 -5.464 8.264 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.544 -6.131 7.245 1.00 0.00 H new ATOM 0 HG LEU F 51 108.236 -8.293 7.091 1.00 0.00 H new ATOM 0 HD11 LEU F 51 105.893 -8.292 7.885 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.022 -8.067 9.242 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.125 -6.675 8.590 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.484 -7.355 5.603 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.729 -5.747 6.324 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.029 -6.503 5.373 1.00 0.00 H new ATOM 1595 N ASN F 52 111.774 -7.131 8.599 1.00 0.00 N ATOM 1596 CA ASN F 52 113.041 -7.779 8.262 1.00 0.00 C ATOM 1597 C ASN F 52 113.387 -8.755 9.394 1.00 0.00 C ATOM 1598 O ASN F 52 113.818 -9.883 9.149 1.00 0.00 O ATOM 1599 CB ASN F 52 114.146 -6.701 8.063 1.00 0.00 C ATOM 1600 CG ASN F 52 115.390 -7.000 8.897 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.332 -7.633 8.424 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.429 -6.579 10.122 1.00 0.00 N ATOM 0 H ASN F 52 111.824 -6.114 8.663 1.00 0.00 H new ATOM 0 HA ASN F 52 112.964 -8.335 7.327 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.419 -6.651 7.009 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.752 -5.722 8.337 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.246 -6.772 10.702 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.643 -6.055 10.506 1.00 0.00 H new ATOM 1609 N ASP F 53 113.151 -8.298 10.632 1.00 0.00 N ATOM 1610 CA ASP F 53 113.391 -9.116 11.820 1.00 0.00 C ATOM 1611 C ASP F 53 112.352 -10.245 11.909 1.00 0.00 C ATOM 1612 O ASP F 53 112.670 -11.364 12.319 1.00 0.00 O ATOM 1613 CB ASP F 53 113.329 -8.233 13.080 1.00 0.00 C ATOM 1614 CG ASP F 53 114.435 -7.172 13.056 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.587 -7.532 12.854 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.114 -6.014 13.253 1.00 0.00 O ATOM 0 H ASP F 53 112.794 -7.364 10.832 1.00 0.00 H new ATOM 0 HA ASP F 53 114.382 -9.564 11.748 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.355 -7.748 13.142 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.433 -8.854 13.970 1.00 0.00 H new ATOM 1621 N ALA F 54 111.108 -9.929 11.522 1.00 0.00 N ATOM 1622 CA ALA F 54 110.004 -10.898 11.550 1.00 0.00 C ATOM 1623 C ALA F 54 110.183 -11.982 10.482 1.00 0.00 C ATOM 1624 O ALA F 54 109.766 -13.127 10.674 1.00 0.00 O ATOM 1625 CB ALA F 54 108.673 -10.174 11.317 1.00 0.00 C ATOM 0 H ALA F 54 110.841 -9.004 11.184 1.00 0.00 H new ATOM 0 HA ALA F 54 110.004 -11.377 12.529 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.857 -10.897 11.339 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.521 -9.431 12.100 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.693 -9.679 10.346 1.00 0.00 H new ATOM 1631 N GLN F 55 110.793 -11.598 9.358 1.00 0.00 N ATOM 1632 CA GLN F 55 111.027 -12.515 8.236 1.00 0.00 C ATOM 1633 C GLN F 55 112.388 -13.193 8.364 1.00 0.00 C ATOM 1634 O GLN F 55 112.696 -14.138 7.634 1.00 0.00 O ATOM 1635 CB GLN F 55 110.977 -11.732 6.920 1.00 0.00 C ATOM 1636 CG GLN F 55 109.555 -11.213 6.686 1.00 0.00 C ATOM 1637 CD GLN F 55 109.549 -10.216 5.532 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.168 -9.161 5.627 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.891 -10.486 4.442 1.00 0.00 N ATOM 0 H GLN F 55 111.137 -10.651 9.199 1.00 0.00 H new ATOM 0 HA GLN F 55 110.252 -13.281 8.248 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.678 -10.898 6.954 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.282 -12.372 6.092 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.887 -12.045 6.463 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.179 -10.737 7.591 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.376 -11.363 4.361 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.891 -9.821 3.669 1.00 0.00 H new ATOM 1648 N ALA F 56 113.195 -12.672 9.285 1.00 0.00 N ATOM 1649 CA ALA F 56 114.535 -13.169 9.527 1.00 0.00 C ATOM 1650 C ALA F 56 114.536 -14.643 9.936 1.00 0.00 C ATOM 1651 O ALA F 56 113.493 -15.209 10.276 1.00 0.00 O ATOM 1652 CB ALA F 56 115.192 -12.331 10.629 1.00 0.00 C ATOM 0 H ALA F 56 112.931 -11.890 9.884 1.00 0.00 H new ATOM 0 HA ALA F 56 115.097 -13.085 8.597 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.200 -12.701 10.815 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.240 -11.289 10.314 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.603 -12.407 11.543 1.00 0.00 H new