USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 69:sc= -1.14 USER MOD Set 1.2: A 17 HIS : no HD1:sc= -0.733 K(o=-0.97,f=-2.6) USER MOD Set 1.3: A 21 SER OG : rot 95:sc= 0.903 USER MOD Single : A 4 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.88) USER MOD Single : A 9 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 27 SER OG : rot -94:sc= 0.87 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.296 (180deg=0.0278) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 2.934 5.297 5.730 1.00 0.00 N ATOM 33 CA GLU A 3 2.282 5.929 6.867 1.00 0.00 C ATOM 34 C GLU A 3 0.858 6.342 6.507 1.00 0.00 C ATOM 35 O GLU A 3 0.057 6.678 7.381 1.00 0.00 O ATOM 36 CB GLU A 3 3.090 7.158 7.309 1.00 0.00 C ATOM 37 CG GLU A 3 2.490 7.735 8.593 1.00 0.00 C ATOM 38 CD GLU A 3 3.416 8.802 9.170 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.567 8.489 9.423 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.955 9.917 9.357 1.00 0.00 O ATOM 0 HA GLU A 3 2.236 5.213 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.131 6.880 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.083 7.912 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.511 8.166 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.339 6.940 9.323 1.00 0.00 H new ATOM 47 N ASN A 4 0.543 6.319 5.209 1.00 0.00 N ATOM 48 CA ASN A 4 -0.793 6.697 4.738 1.00 0.00 C ATOM 49 C ASN A 4 -1.647 5.468 4.438 1.00 0.00 C ATOM 50 O ASN A 4 -2.656 5.237 5.090 1.00 0.00 O ATOM 51 CB ASN A 4 -0.674 7.551 3.474 1.00 0.00 C ATOM 52 CG ASN A 4 -2.063 7.894 2.945 1.00 0.00 C ATOM 53 OD1 ASN A 4 -2.272 7.942 1.733 1.00 0.00 O ATOM 54 ND2 ASN A 4 -3.029 8.139 3.788 1.00 0.00 N ATOM 0 H ASN A 4 1.190 6.045 4.470 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.278 7.267 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.123 8.466 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.108 7.013 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.960 8.371 3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.852 8.098 4.792 1.00 0.00 H new ATOM 61 N LEU A 5 -1.241 4.688 3.442 1.00 0.00 N ATOM 62 CA LEU A 5 -1.996 3.493 3.057 1.00 0.00 C ATOM 63 C LEU A 5 -2.330 2.633 4.273 1.00 0.00 C ATOM 64 O LEU A 5 -3.380 1.990 4.319 1.00 0.00 O ATOM 65 CB LEU A 5 -1.181 2.661 2.063 1.00 0.00 C ATOM 66 CG LEU A 5 -0.709 3.548 0.903 1.00 0.00 C ATOM 67 CD1 LEU A 5 0.141 2.714 -0.059 1.00 0.00 C ATOM 68 CD2 LEU A 5 -1.925 4.120 0.155 1.00 0.00 C ATOM 0 H LEU A 5 -0.401 4.856 2.888 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.928 3.820 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.322 2.217 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.787 1.839 1.681 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.113 4.372 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.478 3.341 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.006 2.316 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.455 1.889 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.584 4.749 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.527 3.302 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.527 4.715 0.841 1.00 0.00 H new ATOM 80 N VAL A 6 -1.439 2.620 5.252 1.00 0.00 N ATOM 81 CA VAL A 6 -1.660 1.829 6.458 1.00 0.00 C ATOM 82 C VAL A 6 -2.905 2.311 7.203 1.00 0.00 C ATOM 83 O VAL A 6 -3.755 1.511 7.590 1.00 0.00 O ATOM 84 CB VAL A 6 -0.440 1.941 7.374 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.276 3.391 7.838 1.00 0.00 C ATOM 86 CG2 VAL A 6 -0.629 1.030 8.591 1.00 0.00 C ATOM 0 H VAL A 6 -0.563 3.142 5.239 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.810 0.789 6.168 1.00 0.00 H new ATOM 0 HB VAL A 6 0.452 1.635 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.594 3.468 8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.138 4.037 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.167 3.702 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.240 1.110 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.522 1.333 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.740 -0.002 8.259 1.00 0.00 H new ATOM 96 N VAL A 7 -3.003 3.623 7.405 1.00 0.00 N ATOM 97 CA VAL A 7 -4.147 4.205 8.106 1.00 0.00 C ATOM 98 C VAL A 7 -5.308 4.465 7.151 1.00 0.00 C ATOM 99 O VAL A 7 -6.471 4.439 7.547 1.00 0.00 O ATOM 100 CB VAL A 7 -3.731 5.514 8.782 1.00 0.00 C ATOM 101 CG1 VAL A 7 -3.184 6.484 7.738 1.00 0.00 C ATOM 102 CG2 VAL A 7 -4.949 6.138 9.468 1.00 0.00 C ATOM 0 H VAL A 7 -2.308 4.302 7.095 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.480 3.492 8.860 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.957 5.309 9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.889 7.414 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.317 6.040 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.954 6.691 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.657 7.071 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.721 6.340 8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.338 5.448 10.217 1.00 0.00 H new ATOM 112 N LEU A 8 -4.983 4.736 5.893 1.00 0.00 N ATOM 113 CA LEU A 8 -6.008 5.026 4.896 1.00 0.00 C ATOM 114 C LEU A 8 -6.998 3.867 4.765 1.00 0.00 C ATOM 115 O LEU A 8 -8.126 3.957 5.230 1.00 0.00 O ATOM 116 CB LEU A 8 -5.350 5.303 3.531 1.00 0.00 C ATOM 117 CG LEU A 8 -6.277 6.163 2.658 1.00 0.00 C ATOM 118 CD1 LEU A 8 -5.570 6.490 1.339 1.00 0.00 C ATOM 119 CD2 LEU A 8 -7.581 5.399 2.368 1.00 0.00 C ATOM 0 H LEU A 8 -4.026 4.761 5.540 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.557 5.909 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.398 5.814 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.133 4.362 3.026 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.515 7.087 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.225 7.100 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.651 7.038 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.331 5.565 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.233 6.015 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.351 4.472 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.084 5.168 3.307 1.00 0.00 H new ATOM 131 N ASN A 9 -6.567 2.786 4.131 1.00 0.00 N ATOM 132 CA ASN A 9 -7.435 1.630 3.932 1.00 0.00 C ATOM 133 C ASN A 9 -7.962 1.092 5.258 1.00 0.00 C ATOM 134 O ASN A 9 -9.026 0.474 5.305 1.00 0.00 O ATOM 135 CB ASN A 9 -6.666 0.527 3.204 1.00 0.00 C ATOM 136 CG ASN A 9 -6.344 0.968 1.781 1.00 0.00 C ATOM 137 OD1 ASN A 9 -5.193 0.882 1.349 1.00 0.00 O ATOM 138 ND2 ASN A 9 -7.295 1.437 1.021 1.00 0.00 N ATOM 0 H ASN A 9 -5.628 2.683 3.747 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.287 1.949 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.745 0.300 3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.258 -0.388 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.087 1.733 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.247 1.507 1.380 1.00 0.00 H new ATOM 145 N ALA A 10 -7.211 1.317 6.327 1.00 0.00 N ATOM 146 CA ALA A 10 -7.618 0.838 7.644 1.00 0.00 C ATOM 147 C ALA A 10 -8.689 1.740 8.256 1.00 0.00 C ATOM 148 O ALA A 10 -9.881 1.436 8.195 1.00 0.00 O ATOM 149 CB ALA A 10 -6.403 0.781 8.569 1.00 0.00 C ATOM 0 H ALA A 10 -6.325 1.823 6.311 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.041 -0.160 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.710 0.423 9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.659 0.102 8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.971 1.777 8.665 1.00 0.00 H new ATOM 155 N ALA A 11 -8.254 2.842 8.863 1.00 0.00 N ATOM 156 CA ALA A 11 -9.181 3.774 9.505 1.00 0.00 C ATOM 157 C ALA A 11 -10.294 4.226 8.552 1.00 0.00 C ATOM 158 O ALA A 11 -11.472 3.979 8.812 1.00 0.00 O ATOM 159 CB ALA A 11 -8.417 4.997 10.010 1.00 0.00 C ATOM 0 H ALA A 11 -7.272 3.111 8.924 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.647 3.250 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.112 5.688 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.664 4.683 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.930 5.494 9.171 1.00 0.00 H new ATOM 165 N SER A 12 -9.916 4.903 7.463 1.00 0.00 N ATOM 166 CA SER A 12 -10.903 5.405 6.493 1.00 0.00 C ATOM 167 C SER A 12 -12.037 4.401 6.304 1.00 0.00 C ATOM 168 O SER A 12 -13.212 4.760 6.368 1.00 0.00 O ATOM 169 CB SER A 12 -10.229 5.666 5.139 1.00 0.00 C ATOM 170 OG SER A 12 -8.923 6.184 5.359 1.00 0.00 O ATOM 0 H SER A 12 -8.946 5.116 7.230 1.00 0.00 H new ATOM 0 HA SER A 12 -11.315 6.336 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.175 4.743 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.820 6.372 4.555 1.00 0.00 H new ATOM 0 HG SER A 12 -8.354 5.484 5.741 1.00 0.00 H new ATOM 176 N VAL A 13 -11.673 3.143 6.089 1.00 0.00 N ATOM 177 CA VAL A 13 -12.664 2.093 5.909 1.00 0.00 C ATOM 178 C VAL A 13 -13.458 1.900 7.198 1.00 0.00 C ATOM 179 O VAL A 13 -14.678 1.741 7.170 1.00 0.00 O ATOM 180 CB VAL A 13 -11.978 0.780 5.514 1.00 0.00 C ATOM 181 CG1 VAL A 13 -13.005 -0.354 5.507 1.00 0.00 C ATOM 182 CG2 VAL A 13 -11.373 0.923 4.116 1.00 0.00 C ATOM 0 H VAL A 13 -10.704 2.828 6.035 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.347 2.386 5.111 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.191 0.553 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.515 -1.286 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.439 -0.458 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.793 -0.127 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.885 -0.010 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.162 1.151 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.640 1.730 4.117 1.00 0.00 H new ATOM 192 N ALA A 14 -12.752 1.908 8.325 1.00 0.00 N ATOM 193 CA ALA A 14 -13.393 1.731 9.623 1.00 0.00 C ATOM 194 C ALA A 14 -14.358 2.878 9.904 1.00 0.00 C ATOM 195 O ALA A 14 -15.247 2.762 10.747 1.00 0.00 O ATOM 196 CB ALA A 14 -12.338 1.666 10.728 1.00 0.00 C ATOM 0 H ALA A 14 -11.741 2.035 8.365 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.952 0.796 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.829 1.534 11.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.669 0.826 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.763 2.592 10.737 1.00 0.00 H new ATOM 202 N GLY A 15 -14.179 3.990 9.190 1.00 0.00 N ATOM 203 CA GLY A 15 -15.039 5.166 9.364 1.00 0.00 C ATOM 204 C GLY A 15 -14.300 6.274 10.107 1.00 0.00 C ATOM 205 O GLY A 15 -14.578 7.457 9.913 1.00 0.00 O ATOM 0 H GLY A 15 -13.449 4.103 8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.365 5.530 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.936 4.887 9.917 1.00 0.00 H new ATOM 209 N ALA A 16 -13.353 5.886 10.956 1.00 0.00 N ATOM 210 CA ALA A 16 -12.579 6.862 11.714 1.00 0.00 C ATOM 211 C ALA A 16 -12.024 7.915 10.763 1.00 0.00 C ATOM 212 O ALA A 16 -12.724 8.854 10.395 1.00 0.00 O ATOM 213 CB ALA A 16 -11.434 6.164 12.449 1.00 0.00 C ATOM 0 H ALA A 16 -13.105 4.913 11.135 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.224 7.344 12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.861 6.900 13.013 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.841 5.420 13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.783 5.674 11.726 1.00 0.00 H new ATOM 219 N HIS A 17 -10.763 7.758 10.374 1.00 0.00 N ATOM 220 CA HIS A 17 -10.115 8.707 9.465 1.00 0.00 C ATOM 221 C HIS A 17 -10.996 9.032 8.247 1.00 0.00 C ATOM 222 O HIS A 17 -10.653 9.891 7.435 1.00 0.00 O ATOM 223 CB HIS A 17 -8.782 8.135 8.978 1.00 0.00 C ATOM 224 CG HIS A 17 -8.070 9.171 8.152 1.00 0.00 C ATOM 225 ND1 HIS A 17 -7.787 10.438 8.639 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.575 9.144 6.871 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.150 11.114 7.668 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.994 10.372 6.568 1.00 0.00 N ATOM 0 H HIS A 17 -10.167 6.985 10.671 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.951 9.629 10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.165 7.844 9.828 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.953 7.236 8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.628 8.299 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.806 12.133 7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.546 10.646 5.694 1.00 0.00 H new ATOM 236 N GLY A 18 -12.132 8.351 8.136 1.00 0.00 N ATOM 237 CA GLY A 18 -13.056 8.584 7.027 1.00 0.00 C ATOM 238 C GLY A 18 -13.674 9.985 7.103 1.00 0.00 C ATOM 239 O GLY A 18 -13.645 10.738 6.131 1.00 0.00 O ATOM 0 H GLY A 18 -12.436 7.636 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.528 8.468 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.847 7.834 7.046 1.00 0.00 H new ATOM 243 N ILE A 19 -14.235 10.319 8.265 1.00 0.00 N ATOM 244 CA ILE A 19 -14.864 11.628 8.465 1.00 0.00 C ATOM 245 C ILE A 19 -13.819 12.751 8.476 1.00 0.00 C ATOM 246 O ILE A 19 -14.093 13.868 8.038 1.00 0.00 O ATOM 247 CB ILE A 19 -15.653 11.640 9.782 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.403 12.972 9.909 1.00 0.00 C ATOM 249 CG2 ILE A 19 -14.694 11.466 10.971 1.00 0.00 C ATOM 250 CD1 ILE A 19 -17.408 12.885 11.059 1.00 0.00 C ATOM 0 H ILE A 19 -14.268 9.706 9.080 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.545 11.803 7.632 1.00 0.00 H new ATOM 0 HB ILE A 19 -16.367 10.817 9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.697 13.783 10.089 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -16.920 13.201 8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.262 11.476 11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.167 10.516 10.878 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.972 12.282 10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -17.941 13.832 11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -18.121 12.085 10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -16.879 12.676 11.989 1.00 0.00 H new ATOM 262 N LEU A 20 -12.614 12.441 8.956 1.00 0.00 N ATOM 263 CA LEU A 20 -11.532 13.431 8.983 1.00 0.00 C ATOM 264 C LEU A 20 -11.108 13.797 7.562 1.00 0.00 C ATOM 265 O LEU A 20 -10.876 14.967 7.258 1.00 0.00 O ATOM 266 CB LEU A 20 -10.319 12.899 9.784 1.00 0.00 C ATOM 267 CG LEU A 20 -10.362 13.376 11.253 1.00 0.00 C ATOM 268 CD1 LEU A 20 -10.183 14.917 11.310 1.00 0.00 C ATOM 269 CD2 LEU A 20 -11.697 12.977 11.897 1.00 0.00 C ATOM 0 H LEU A 20 -12.362 11.525 9.327 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.904 14.327 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.310 11.809 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.395 13.238 9.316 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.550 12.902 11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.214 15.249 12.348 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.223 15.188 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.986 15.397 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.718 13.318 12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.518 13.437 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.805 11.893 11.870 1.00 0.00 H new ATOM 281 N SER A 21 -11.006 12.789 6.704 1.00 0.00 N ATOM 282 CA SER A 21 -10.609 13.015 5.323 1.00 0.00 C ATOM 283 C SER A 21 -11.672 13.827 4.599 1.00 0.00 C ATOM 284 O SER A 21 -11.362 14.655 3.749 1.00 0.00 O ATOM 285 CB SER A 21 -10.389 11.685 4.603 1.00 0.00 C ATOM 286 OG SER A 21 -9.509 10.874 5.371 1.00 0.00 O ATOM 0 H SER A 21 -11.192 11.814 6.939 1.00 0.00 H new ATOM 0 HA SER A 21 -9.672 13.572 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.341 11.174 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.969 11.860 3.612 1.00 0.00 H new ATOM 0 HG SER A 21 -10.032 10.265 5.934 1.00 0.00 H new ATOM 292 N PHE A 22 -12.929 13.576 4.939 1.00 0.00 N ATOM 293 CA PHE A 22 -14.033 14.288 4.312 1.00 0.00 C ATOM 294 C PHE A 22 -14.155 15.703 4.876 1.00 0.00 C ATOM 295 O PHE A 22 -14.740 16.582 4.243 1.00 0.00 O ATOM 296 CB PHE A 22 -15.341 13.528 4.542 1.00 0.00 C ATOM 297 CG PHE A 22 -16.486 14.298 3.923 1.00 0.00 C ATOM 298 CD1 PHE A 22 -16.619 14.353 2.531 1.00 0.00 C ATOM 299 CD2 PHE A 22 -17.413 14.956 4.742 1.00 0.00 C ATOM 300 CE1 PHE A 22 -17.680 15.063 1.957 1.00 0.00 C ATOM 301 CE2 PHE A 22 -18.472 15.668 4.167 1.00 0.00 C ATOM 302 CZ PHE A 22 -18.607 15.721 2.774 1.00 0.00 C ATOM 0 H PHE A 22 -13.208 12.890 5.640 1.00 0.00 H new ATOM 0 HA PHE A 22 -13.835 14.355 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -15.278 12.533 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -15.514 13.394 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -15.903 13.848 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.310 14.914 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.784 15.103 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -19.186 16.177 4.798 1.00 0.00 H new ATOM 0 HZ PHE A 22 -19.425 16.269 2.331 1.00 0.00 H new ATOM 312 N LEU A 23 -13.610 15.918 6.073 1.00 0.00 N ATOM 313 CA LEU A 23 -13.678 17.231 6.710 1.00 0.00 C ATOM 314 C LEU A 23 -12.932 18.286 5.891 1.00 0.00 C ATOM 315 O LEU A 23 -13.398 19.415 5.750 1.00 0.00 O ATOM 316 CB LEU A 23 -13.068 17.162 8.121 1.00 0.00 C ATOM 317 CG LEU A 23 -13.110 18.547 8.789 1.00 0.00 C ATOM 318 CD1 LEU A 23 -14.561 19.059 8.864 1.00 0.00 C ATOM 319 CD2 LEU A 23 -12.525 18.448 10.203 1.00 0.00 C ATOM 0 H LEU A 23 -13.121 15.207 6.616 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.728 17.517 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.617 16.442 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.038 16.810 8.063 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.521 19.246 8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.577 20.040 9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.972 19.137 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -15.163 18.363 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.554 19.429 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.112 17.742 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.493 18.103 10.146 1.00 0.00 H new ATOM 331 N VAL A 24 -11.774 17.910 5.356 1.00 0.00 N ATOM 332 CA VAL A 24 -10.980 18.838 4.557 1.00 0.00 C ATOM 333 C VAL A 24 -11.677 19.109 3.228 1.00 0.00 C ATOM 334 O VAL A 24 -11.522 20.176 2.633 1.00 0.00 O ATOM 335 CB VAL A 24 -9.566 18.257 4.316 1.00 0.00 C ATOM 336 CG1 VAL A 24 -9.580 17.281 3.128 1.00 0.00 C ATOM 337 CG2 VAL A 24 -8.580 19.395 4.024 1.00 0.00 C ATOM 0 H VAL A 24 -11.368 16.980 5.459 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.881 19.779 5.098 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.255 17.721 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.578 16.882 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.268 16.462 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.905 17.806 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.586 18.981 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.903 19.937 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.549 20.077 4.874 1.00 0.00 H new ATOM 347 N PHE A 25 -12.439 18.122 2.773 1.00 0.00 N ATOM 348 CA PHE A 25 -13.163 18.240 1.520 1.00 0.00 C ATOM 349 C PHE A 25 -14.323 19.218 1.661 1.00 0.00 C ATOM 350 O PHE A 25 -14.588 20.019 0.765 1.00 0.00 O ATOM 351 CB PHE A 25 -13.682 16.874 1.068 1.00 0.00 C ATOM 352 CG PHE A 25 -14.147 16.967 -0.366 1.00 0.00 C ATOM 353 CD1 PHE A 25 -15.463 17.351 -0.653 1.00 0.00 C ATOM 354 CD2 PHE A 25 -13.262 16.667 -1.408 1.00 0.00 C ATOM 355 CE1 PHE A 25 -15.893 17.436 -1.982 1.00 0.00 C ATOM 356 CE2 PHE A 25 -13.693 16.753 -2.738 1.00 0.00 C ATOM 357 CZ PHE A 25 -15.008 17.138 -3.026 1.00 0.00 C ATOM 0 H PHE A 25 -12.570 17.233 3.255 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.475 18.620 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.896 16.125 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.504 16.554 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -16.146 17.581 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.248 16.369 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.908 17.732 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.010 16.522 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.339 17.205 -4.052 1.00 0.00 H new ATOM 367 N PHE A 26 -15.013 19.138 2.798 1.00 0.00 N ATOM 368 CA PHE A 26 -16.150 20.010 3.063 1.00 0.00 C ATOM 369 C PHE A 26 -15.695 21.461 3.186 1.00 0.00 C ATOM 370 O PHE A 26 -16.386 22.377 2.744 1.00 0.00 O ATOM 371 CB PHE A 26 -16.866 19.585 4.350 1.00 0.00 C ATOM 372 CG PHE A 26 -18.253 20.192 4.379 1.00 0.00 C ATOM 373 CD1 PHE A 26 -18.425 21.531 4.749 1.00 0.00 C ATOM 374 CD2 PHE A 26 -19.363 19.413 4.031 1.00 0.00 C ATOM 375 CE1 PHE A 26 -19.708 22.091 4.770 1.00 0.00 C ATOM 376 CE2 PHE A 26 -20.646 19.973 4.052 1.00 0.00 C ATOM 377 CZ PHE A 26 -20.818 21.312 4.421 1.00 0.00 C ATOM 0 H PHE A 26 -14.803 18.479 3.547 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.843 19.925 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.932 18.498 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.296 19.911 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.569 22.132 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.230 18.380 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.842 23.124 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -21.502 19.372 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.807 21.745 4.437 1.00 0.00 H new ATOM 387 N SER A 27 -14.536 21.663 3.808 1.00 0.00 N ATOM 388 CA SER A 27 -14.007 23.011 3.997 1.00 0.00 C ATOM 389 C SER A 27 -14.124 23.808 2.703 1.00 0.00 C ATOM 390 O SER A 27 -14.448 24.995 2.722 1.00 0.00 O ATOM 391 CB SER A 27 -12.539 22.938 4.418 1.00 0.00 C ATOM 392 OG SER A 27 -11.763 22.450 3.332 1.00 0.00 O ATOM 0 H SER A 27 -13.950 20.919 4.186 1.00 0.00 H new ATOM 0 HA SER A 27 -14.585 23.508 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.185 23.924 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.429 22.283 5.282 1.00 0.00 H new ATOM 0 HG SER A 27 -11.653 21.480 3.419 1.00 0.00 H new ATOM 398 N ALA A 28 -13.870 23.142 1.584 1.00 0.00 N ATOM 399 CA ALA A 28 -13.963 23.792 0.284 1.00 0.00 C ATOM 400 C ALA A 28 -15.393 24.251 0.028 1.00 0.00 C ATOM 401 O ALA A 28 -15.625 25.229 -0.683 1.00 0.00 O ATOM 402 CB ALA A 28 -13.521 22.830 -0.820 1.00 0.00 C ATOM 0 H ALA A 28 -13.600 22.159 1.550 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.305 24.661 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.595 23.327 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.489 22.526 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.164 21.950 -0.815 1.00 0.00 H new ATOM 408 N ALA A 29 -16.349 23.536 0.611 1.00 0.00 N ATOM 409 CA ALA A 29 -17.756 23.873 0.436 1.00 0.00 C ATOM 410 C ALA A 29 -18.026 25.304 0.887 1.00 0.00 C ATOM 411 O ALA A 29 -18.814 26.018 0.268 1.00 0.00 O ATOM 412 CB ALA A 29 -18.631 22.917 1.250 1.00 0.00 C ATOM 0 H ALA A 29 -16.177 22.725 1.205 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.998 23.781 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.680 23.178 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.464 21.894 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.373 22.997 2.306 1.00 0.00 H new ATOM 418 N TRP A 30 -17.370 25.719 1.966 1.00 0.00 N ATOM 419 CA TRP A 30 -17.550 27.066 2.488 1.00 0.00 C ATOM 420 C TRP A 30 -17.223 28.102 1.417 1.00 0.00 C ATOM 421 O TRP A 30 -17.927 29.100 1.277 1.00 0.00 O ATOM 422 CB TRP A 30 -16.637 27.265 3.705 1.00 0.00 C ATOM 423 CG TRP A 30 -16.953 26.242 4.767 1.00 0.00 C ATOM 424 CD1 TRP A 30 -17.973 25.355 4.725 1.00 0.00 C ATOM 425 CD2 TRP A 30 -16.253 26.000 6.023 1.00 0.00 C ATOM 426 NE1 TRP A 30 -17.946 24.585 5.873 1.00 0.00 N ATOM 427 CE2 TRP A 30 -16.903 24.944 6.705 1.00 0.00 C ATOM 428 CE3 TRP A 30 -15.128 26.588 6.631 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -16.454 24.488 7.945 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -14.675 26.132 7.879 1.00 0.00 C ATOM 431 CH2 TRP A 30 -15.336 25.084 8.533 1.00 0.00 C ATOM 0 H TRP A 30 -16.712 25.144 2.493 1.00 0.00 H new ATOM 0 HA TRP A 30 -18.590 27.196 2.786 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.593 27.176 3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -16.769 28.270 4.107 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -18.692 25.263 3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.614 23.843 6.080 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -14.610 27.395 6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -16.967 23.680 8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -13.812 26.592 8.338 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.981 24.737 9.492 1.00 0.00 H new ATOM 442 N TYR A 31 -16.161 27.849 0.660 1.00 0.00 N ATOM 443 CA TYR A 31 -15.763 28.762 -0.404 1.00 0.00 C ATOM 444 C TYR A 31 -16.832 28.810 -1.492 1.00 0.00 C ATOM 445 O TYR A 31 -17.182 29.880 -1.989 1.00 0.00 O ATOM 446 CB TYR A 31 -14.430 28.316 -1.005 1.00 0.00 C ATOM 447 CG TYR A 31 -14.070 29.219 -2.162 1.00 0.00 C ATOM 448 CD1 TYR A 31 -13.624 30.521 -1.915 1.00 0.00 C ATOM 449 CD2 TYR A 31 -14.185 28.755 -3.480 1.00 0.00 C ATOM 450 CE1 TYR A 31 -13.290 31.363 -2.982 1.00 0.00 C ATOM 451 CE2 TYR A 31 -13.851 29.597 -4.547 1.00 0.00 C ATOM 452 CZ TYR A 31 -13.404 30.901 -4.299 1.00 0.00 C ATOM 453 OH TYR A 31 -13.076 31.730 -5.352 1.00 0.00 O ATOM 0 H TYR A 31 -15.565 27.027 0.762 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.649 29.760 0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.648 28.350 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.500 27.283 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.537 30.878 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -14.531 27.750 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.945 32.368 -2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.938 29.241 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.211 31.254 -6.198 1.00 0.00 H new ATOM 463 N ILE A 32 -17.338 27.637 -1.861 1.00 0.00 N ATOM 464 CA ILE A 32 -18.364 27.544 -2.895 1.00 0.00 C ATOM 465 C ILE A 32 -19.668 28.187 -2.429 1.00 0.00 C ATOM 466 O ILE A 32 -20.319 28.911 -3.184 1.00 0.00 O ATOM 467 CB ILE A 32 -18.621 26.080 -3.254 1.00 0.00 C ATOM 468 CG1 ILE A 32 -17.304 25.410 -3.668 1.00 0.00 C ATOM 469 CG2 ILE A 32 -19.613 26.009 -4.418 1.00 0.00 C ATOM 470 CD1 ILE A 32 -17.498 23.891 -3.786 1.00 0.00 C ATOM 0 H ILE A 32 -17.056 26.742 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.004 28.078 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.033 25.563 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.964 25.816 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.529 25.629 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.798 24.966 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.551 26.482 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.198 26.528 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.557 23.426 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.816 23.489 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.258 23.679 -4.538 1.00 0.00 H new ATOM 482 N LYS A 33 -20.050 27.915 -1.185 1.00 0.00 N ATOM 483 CA LYS A 33 -21.283 28.474 -0.640 1.00 0.00 C ATOM 484 C LYS A 33 -21.140 29.975 -0.402 1.00 0.00 C ATOM 485 O LYS A 33 -21.939 30.769 -0.898 1.00 0.00 O ATOM 486 CB LYS A 33 -21.611 27.774 0.678 1.00 0.00 C ATOM 487 CG LYS A 33 -22.006 26.322 0.402 1.00 0.00 C ATOM 488 CD LYS A 33 -22.228 25.593 1.728 1.00 0.00 C ATOM 489 CE LYS A 33 -22.664 24.152 1.453 1.00 0.00 C ATOM 490 NZ LYS A 33 -22.845 23.433 2.744 1.00 0.00 N ATOM 0 H LYS A 33 -19.531 27.318 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.088 28.316 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.748 27.807 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -22.425 28.293 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.914 26.289 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -21.225 25.824 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.311 25.600 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.988 26.108 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -23.595 24.144 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.916 23.645 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -23.695 22.836 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -22.014 22.836 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.953 24.124 3.514 1.00 0.00 H new ATOM 504 N GLY A 34 -20.115 30.363 0.350 1.00 0.00 N ATOM 505 CA GLY A 34 -19.882 31.775 0.638 1.00 0.00 C ATOM 506 C GLY A 34 -20.919 32.315 1.622 1.00 0.00 C ATOM 507 O GLY A 34 -21.239 33.504 1.611 1.00 0.00 O ATOM 0 H GLY A 34 -19.437 29.726 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.882 31.905 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.921 32.349 -0.288 1.00 0.00 H new ATOM 511 N ARG A 35 -21.442 31.432 2.474 1.00 0.00 N ATOM 512 CA ARG A 35 -22.447 31.824 3.470 1.00 0.00 C ATOM 513 C ARG A 35 -21.803 32.015 4.836 1.00 0.00 C ATOM 514 O ARG A 35 -22.496 32.158 5.844 1.00 0.00 O ATOM 515 CB ARG A 35 -23.542 30.754 3.562 1.00 0.00 C ATOM 516 CG ARG A 35 -22.942 29.421 4.030 1.00 0.00 C ATOM 517 CD ARG A 35 -24.053 28.377 4.158 1.00 0.00 C ATOM 518 NE ARG A 35 -24.651 28.108 2.855 1.00 0.00 N ATOM 519 CZ ARG A 35 -25.705 27.307 2.738 1.00 0.00 C ATOM 520 NH1 ARG A 35 -26.220 26.746 3.798 1.00 0.00 N ATOM 521 NH2 ARG A 35 -26.226 27.082 1.562 1.00 0.00 N ATOM 0 H ARG A 35 -21.189 30.444 2.497 1.00 0.00 H new ATOM 0 HA ARG A 35 -22.890 32.769 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.318 31.076 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.018 30.626 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.188 29.080 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -22.440 29.553 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -23.648 27.456 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -24.817 28.733 4.849 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.254 28.541 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.814 26.922 4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -27.029 26.131 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -25.824 27.521 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -27.035 26.467 1.472 1.00 0.00 H new ATOM 535 N LEU A 36 -20.471 32.006 4.865 1.00 0.00 N ATOM 536 CA LEU A 36 -19.722 32.169 6.115 1.00 0.00 C ATOM 537 C LEU A 36 -19.013 33.520 6.145 1.00 0.00 C ATOM 538 O LEU A 36 -19.017 34.259 5.161 1.00 0.00 O ATOM 539 CB LEU A 36 -18.702 31.028 6.259 1.00 0.00 C ATOM 540 CG LEU A 36 -19.418 29.733 6.713 1.00 0.00 C ATOM 541 CD1 LEU A 36 -18.647 28.505 6.212 1.00 0.00 C ATOM 542 CD2 LEU A 36 -19.481 29.686 8.248 1.00 0.00 C ATOM 0 H LEU A 36 -19.886 31.888 4.038 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.420 32.133 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.196 30.859 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -17.936 31.303 6.984 1.00 0.00 H new ATOM 0 HG LEU A 36 -20.427 29.727 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.157 27.598 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.598 28.525 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.637 28.518 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.986 28.773 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -18.470 29.701 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.032 30.551 8.616 1.00 0.00 H new ATOM 554 N ALA A 37 -18.407 33.839 7.284 1.00 0.00 N ATOM 555 CA ALA A 37 -17.699 35.108 7.431 1.00 0.00 C ATOM 556 C ALA A 37 -16.651 35.007 8.547 1.00 0.00 C ATOM 557 O ALA A 37 -16.603 34.008 9.262 1.00 0.00 O ATOM 558 CB ALA A 37 -18.709 36.241 7.733 1.00 0.00 C ATOM 0 H ALA A 37 -18.391 33.244 8.112 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.184 35.338 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.175 37.185 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -19.423 36.320 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.241 36.017 8.657 1.00 0.00 H new ATOM 564 N PRO A 38 -15.832 36.024 8.717 1.00 0.00 N ATOM 565 CA PRO A 38 -14.779 36.047 9.785 1.00 0.00 C ATOM 566 C PRO A 38 -15.354 35.740 11.177 1.00 0.00 C ATOM 567 O PRO A 38 -15.475 36.628 12.021 1.00 0.00 O ATOM 568 CB PRO A 38 -14.222 37.485 9.715 1.00 0.00 C ATOM 569 CG PRO A 38 -14.515 37.950 8.326 1.00 0.00 C ATOM 570 CD PRO A 38 -15.814 37.261 7.911 1.00 0.00 C ATOM 0 HA PRO A 38 -14.017 35.284 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.698 38.128 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.151 37.503 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.622 39.034 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.702 37.689 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.682 37.886 8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.827 37.043 6.843 1.00 0.00 H new ATOM 578 N GLY A 39 -15.706 34.475 11.411 1.00 0.00 N ATOM 579 CA GLY A 39 -16.268 34.059 12.700 1.00 0.00 C ATOM 580 C GLY A 39 -15.309 33.132 13.436 1.00 0.00 C ATOM 581 O GLY A 39 -14.127 33.438 13.586 1.00 0.00 O ATOM 0 H GLY A 39 -15.613 33.722 10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.474 34.937 13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.220 33.552 12.540 1.00 0.00 H new ATOM 585 N ALA A 40 -15.829 31.995 13.892 1.00 0.00 N ATOM 586 CA ALA A 40 -15.014 31.019 14.611 1.00 0.00 C ATOM 587 C ALA A 40 -14.352 30.046 13.639 1.00 0.00 C ATOM 588 O ALA A 40 -13.191 29.675 13.814 1.00 0.00 O ATOM 589 CB ALA A 40 -15.878 30.242 15.604 1.00 0.00 C ATOM 0 H ALA A 40 -16.807 31.727 13.777 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.236 31.558 15.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.260 29.517 16.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.321 30.934 16.320 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.670 29.720 15.067 1.00 0.00 H new ATOM 595 N ALA A 41 -15.102 29.636 12.621 1.00 0.00 N ATOM 596 CA ALA A 41 -14.584 28.703 11.628 1.00 0.00 C ATOM 597 C ALA A 41 -13.574 29.390 10.714 1.00 0.00 C ATOM 598 O ALA A 41 -12.882 28.735 9.934 1.00 0.00 O ATOM 599 CB ALA A 41 -15.729 28.147 10.780 1.00 0.00 C ATOM 0 H ALA A 41 -16.065 29.933 12.463 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.089 27.889 12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.330 27.451 10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -16.439 27.626 11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -16.235 28.967 10.270 1.00 0.00 H new ATOM 605 N TYR A 42 -13.494 30.714 10.817 1.00 0.00 N ATOM 606 CA TYR A 42 -12.554 31.483 9.999 1.00 0.00 C ATOM 607 C TYR A 42 -11.190 31.535 10.688 1.00 0.00 C ATOM 608 O TYR A 42 -10.162 31.234 10.082 1.00 0.00 O ATOM 609 CB TYR A 42 -13.105 32.917 9.760 1.00 0.00 C ATOM 610 CG TYR A 42 -13.406 33.132 8.287 1.00 0.00 C ATOM 611 CD1 TYR A 42 -14.630 32.714 7.750 1.00 0.00 C ATOM 612 CD2 TYR A 42 -12.453 33.743 7.464 1.00 0.00 C ATOM 613 CE1 TYR A 42 -14.900 32.906 6.390 1.00 0.00 C ATOM 614 CE2 TYR A 42 -12.723 33.935 6.103 1.00 0.00 C ATOM 615 CZ TYR A 42 -13.946 33.517 5.567 1.00 0.00 C ATOM 616 OH TYR A 42 -14.212 33.706 4.225 1.00 0.00 O ATOM 0 H TYR A 42 -14.062 31.275 11.452 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.436 30.995 9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -14.010 33.068 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.377 33.654 10.100 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -15.366 32.243 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.510 34.066 7.878 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.844 32.583 5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.987 34.406 5.468 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.446 34.144 3.798 1.00 0.00 H new ATOM 626 N ALA A 43 -11.192 31.931 11.953 1.00 0.00 N ATOM 627 CA ALA A 43 -9.952 32.028 12.711 1.00 0.00 C ATOM 628 C ALA A 43 -9.285 30.661 12.805 1.00 0.00 C ATOM 629 O ALA A 43 -8.093 30.520 12.533 1.00 0.00 O ATOM 630 CB ALA A 43 -10.237 32.560 14.115 1.00 0.00 C ATOM 0 H ALA A 43 -12.031 32.188 12.473 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.281 32.716 12.197 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.304 32.629 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.692 33.548 14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.919 31.883 14.629 1.00 0.00 H new ATOM 636 N PHE A 44 -10.067 29.657 13.190 1.00 0.00 N ATOM 637 CA PHE A 44 -9.547 28.302 13.316 1.00 0.00 C ATOM 638 C PHE A 44 -9.064 27.797 11.962 1.00 0.00 C ATOM 639 O PHE A 44 -7.988 27.209 11.856 1.00 0.00 O ATOM 640 CB PHE A 44 -10.627 27.367 13.864 1.00 0.00 C ATOM 641 CG PHE A 44 -10.010 26.025 14.186 1.00 0.00 C ATOM 642 CD1 PHE A 44 -9.197 25.890 15.317 1.00 0.00 C ATOM 643 CD2 PHE A 44 -10.251 24.920 13.360 1.00 0.00 C ATOM 644 CE1 PHE A 44 -8.624 24.649 15.623 1.00 0.00 C ATOM 645 CE2 PHE A 44 -9.679 23.680 13.667 1.00 0.00 C ATOM 646 CZ PHE A 44 -8.865 23.543 14.799 1.00 0.00 C ATOM 0 H PHE A 44 -11.056 29.756 13.418 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.707 28.316 14.011 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.077 27.797 14.759 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.426 27.247 13.132 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.011 26.742 15.954 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.878 25.025 12.487 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.996 24.545 16.495 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.865 22.828 13.030 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.424 22.586 15.036 1.00 0.00 H new ATOM 656 N TYR A 45 -9.868 28.032 10.922 1.00 0.00 N ATOM 657 CA TYR A 45 -9.507 27.594 9.574 1.00 0.00 C ATOM 658 C TYR A 45 -8.008 27.836 9.318 1.00 0.00 C ATOM 659 O TYR A 45 -7.400 27.186 8.469 1.00 0.00 O ATOM 660 CB TYR A 45 -10.379 28.341 8.521 1.00 0.00 C ATOM 661 CG TYR A 45 -9.575 28.632 7.268 1.00 0.00 C ATOM 662 CD1 TYR A 45 -8.710 29.733 7.250 1.00 0.00 C ATOM 663 CD2 TYR A 45 -9.665 27.795 6.150 1.00 0.00 C ATOM 664 CE1 TYR A 45 -7.936 29.996 6.115 1.00 0.00 C ATOM 665 CE2 TYR A 45 -8.891 28.059 5.013 1.00 0.00 C ATOM 666 CZ TYR A 45 -8.026 29.160 4.995 1.00 0.00 C ATOM 667 OH TYR A 45 -7.264 29.419 3.876 1.00 0.00 O ATOM 0 H TYR A 45 -10.763 28.517 10.987 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.698 26.525 9.483 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.250 27.736 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.751 29.274 8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.640 30.379 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.331 26.945 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.268 30.845 6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.961 27.413 4.150 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.447 28.742 3.192 1.00 0.00 H new ATOM 677 N GLY A 46 -7.436 28.798 10.033 1.00 0.00 N ATOM 678 CA GLY A 46 -6.028 29.135 9.856 1.00 0.00 C ATOM 679 C GLY A 46 -5.107 27.966 10.211 1.00 0.00 C ATOM 680 O GLY A 46 -4.369 27.471 9.358 1.00 0.00 O ATOM 0 H GLY A 46 -7.921 29.355 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.854 29.432 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.780 29.994 10.480 1.00 0.00 H new ATOM 684 N VAL A 47 -5.136 27.537 11.473 1.00 0.00 N ATOM 685 CA VAL A 47 -4.281 26.436 11.926 1.00 0.00 C ATOM 686 C VAL A 47 -4.906 25.068 11.613 1.00 0.00 C ATOM 687 O VAL A 47 -4.438 24.036 12.096 1.00 0.00 O ATOM 688 CB VAL A 47 -3.998 26.593 13.440 1.00 0.00 C ATOM 689 CG1 VAL A 47 -5.129 25.945 14.261 1.00 0.00 C ATOM 690 CG2 VAL A 47 -2.641 25.937 13.801 1.00 0.00 C ATOM 0 H VAL A 47 -5.737 27.931 12.197 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.337 26.480 11.382 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.951 27.656 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.919 26.061 15.324 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.076 26.430 14.022 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.193 24.884 14.018 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.453 26.054 14.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.672 24.876 13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.842 26.419 13.237 1.00 0.00 H new ATOM 700 N TRP A 48 -5.967 25.074 10.814 1.00 0.00 N ATOM 701 CA TRP A 48 -6.647 23.825 10.463 1.00 0.00 C ATOM 702 C TRP A 48 -5.631 22.715 10.109 1.00 0.00 C ATOM 703 O TRP A 48 -5.783 21.576 10.548 1.00 0.00 O ATOM 704 CB TRP A 48 -7.631 24.019 9.276 1.00 0.00 C ATOM 705 CG TRP A 48 -8.849 23.137 9.421 1.00 0.00 C ATOM 706 CD1 TRP A 48 -8.908 21.999 10.152 1.00 0.00 C ATOM 707 CD2 TRP A 48 -10.165 23.307 8.821 1.00 0.00 C ATOM 708 NE1 TRP A 48 -10.178 21.461 10.038 1.00 0.00 N ATOM 709 CE2 TRP A 48 -10.989 22.232 9.227 1.00 0.00 C ATOM 710 CE3 TRP A 48 -10.720 24.283 7.971 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -12.314 22.126 8.807 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -12.054 24.180 7.547 1.00 0.00 C ATOM 713 CH2 TRP A 48 -12.850 23.104 7.963 1.00 0.00 C ATOM 0 H TRP A 48 -6.373 25.914 10.401 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.217 23.522 11.342 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.940 25.063 9.224 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.123 23.790 8.339 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.097 21.580 10.729 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.479 20.601 10.496 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -10.115 25.116 7.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -12.922 21.295 9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -12.470 24.935 6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -13.875 23.030 7.632 1.00 0.00 H new ATOM 724 N PRO A 49 -4.608 23.009 9.319 1.00 0.00 N ATOM 725 CA PRO A 49 -3.586 21.982 8.899 1.00 0.00 C ATOM 726 C PRO A 49 -2.872 21.314 10.084 1.00 0.00 C ATOM 727 O PRO A 49 -1.850 20.652 9.903 1.00 0.00 O ATOM 728 CB PRO A 49 -2.593 22.786 8.027 1.00 0.00 C ATOM 729 CG PRO A 49 -3.352 23.996 7.585 1.00 0.00 C ATOM 730 CD PRO A 49 -4.290 24.333 8.731 1.00 0.00 C ATOM 0 HA PRO A 49 -4.052 21.150 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.705 23.064 8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.254 22.200 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.678 24.826 7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.908 23.796 6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.815 24.991 9.458 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.187 24.842 8.379 1.00 0.00 H new ATOM 738 N LEU A 50 -3.408 21.486 11.293 1.00 0.00 N ATOM 739 CA LEU A 50 -2.806 20.883 12.488 1.00 0.00 C ATOM 740 C LEU A 50 -3.618 19.668 12.929 1.00 0.00 C ATOM 741 O LEU A 50 -3.074 18.587 13.151 1.00 0.00 O ATOM 742 CB LEU A 50 -2.757 21.916 13.626 1.00 0.00 C ATOM 743 CG LEU A 50 -1.662 21.550 14.645 1.00 0.00 C ATOM 744 CD1 LEU A 50 -1.505 22.689 15.657 1.00 0.00 C ATOM 745 CD2 LEU A 50 -2.035 20.250 15.386 1.00 0.00 C ATOM 0 H LEU A 50 -4.250 22.032 11.473 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.792 20.564 12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.563 22.907 13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.725 21.961 14.125 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.722 21.397 14.115 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.730 22.430 16.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.224 23.604 15.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.449 22.845 16.179 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.252 20.003 16.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.979 20.389 15.913 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.137 19.438 14.666 1.00 0.00 H new ATOM 757 N LEU A 51 -4.927 19.857 13.053 1.00 0.00 N ATOM 758 CA LEU A 51 -5.803 18.776 13.478 1.00 0.00 C ATOM 759 C LEU A 51 -5.729 17.614 12.497 1.00 0.00 C ATOM 760 O LEU A 51 -5.756 16.450 12.899 1.00 0.00 O ATOM 761 CB LEU A 51 -7.252 19.274 13.588 1.00 0.00 C ATOM 762 CG LEU A 51 -8.167 18.144 14.098 1.00 0.00 C ATOM 763 CD1 LEU A 51 -7.707 17.676 15.493 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.610 18.659 14.177 1.00 0.00 C ATOM 0 H LEU A 51 -5.400 20.741 12.867 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.472 18.432 14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.301 20.125 14.267 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.599 19.622 12.615 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.114 17.301 13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.361 16.877 15.843 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.683 17.307 15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.751 18.513 16.190 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.261 17.863 14.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.657 19.505 14.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.938 18.976 13.187 1.00 0.00 H new ATOM 776 N LEU A 52 -5.648 17.930 11.208 1.00 0.00 N ATOM 777 CA LEU A 52 -5.575 16.895 10.188 1.00 0.00 C ATOM 778 C LEU A 52 -4.348 16.021 10.424 1.00 0.00 C ATOM 779 O LEU A 52 -4.467 14.882 10.864 1.00 0.00 O ATOM 780 CB LEU A 52 -5.512 17.540 8.791 1.00 0.00 C ATOM 781 CG LEU A 52 -6.923 17.963 8.340 1.00 0.00 C ATOM 782 CD1 LEU A 52 -7.796 16.720 8.052 1.00 0.00 C ATOM 783 CD2 LEU A 52 -7.570 18.811 9.446 1.00 0.00 C ATOM 0 H LEU A 52 -5.631 18.885 10.850 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.467 16.271 10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.853 18.408 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.089 16.835 8.075 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.846 18.547 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.789 17.038 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.335 16.127 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.880 16.117 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.569 19.114 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.638 18.224 10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.962 19.697 9.628 1.00 0.00 H new ATOM 795 N LEU A 53 -3.174 16.555 10.120 1.00 0.00 N ATOM 796 CA LEU A 53 -1.938 15.801 10.292 1.00 0.00 C ATOM 797 C LEU A 53 -1.909 15.110 11.657 1.00 0.00 C ATOM 798 O LEU A 53 -1.340 14.029 11.797 1.00 0.00 O ATOM 799 CB LEU A 53 -0.733 16.750 10.162 1.00 0.00 C ATOM 800 CG LEU A 53 -0.404 16.979 8.683 1.00 0.00 C ATOM 801 CD1 LEU A 53 -1.647 17.491 7.951 1.00 0.00 C ATOM 802 CD2 LEU A 53 0.716 18.014 8.565 1.00 0.00 C ATOM 0 H LEU A 53 -3.050 17.500 9.756 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.886 15.035 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.955 17.701 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.131 16.326 10.674 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.083 16.038 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.409 17.653 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.447 16.755 8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.971 18.431 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.951 18.178 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.393 18.953 9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.604 17.650 9.083 1.00 0.00 H new ATOM 814 N LEU A 54 -2.509 15.738 12.663 1.00 0.00 N ATOM 815 CA LEU A 54 -2.526 15.156 14.002 1.00 0.00 C ATOM 816 C LEU A 54 -3.291 13.832 14.011 1.00 0.00 C ATOM 817 O LEU A 54 -2.703 12.765 14.190 1.00 0.00 O ATOM 818 CB LEU A 54 -3.178 16.136 14.986 1.00 0.00 C ATOM 819 CG LEU A 54 -3.080 15.594 16.423 1.00 0.00 C ATOM 820 CD1 LEU A 54 -1.608 15.541 16.877 1.00 0.00 C ATOM 821 CD2 LEU A 54 -3.878 16.510 17.360 1.00 0.00 C ATOM 0 H LEU A 54 -2.984 16.637 12.580 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.497 14.963 14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.687 17.107 14.922 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.223 16.289 14.718 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.490 14.584 16.454 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.555 15.156 17.895 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.045 14.886 16.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.181 16.544 16.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.813 16.132 18.380 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.467 17.519 17.320 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.922 16.531 17.046 1.00 0.00 H new ATOM 833 N LEU A 55 -4.606 13.913 13.833 1.00 0.00 N ATOM 834 CA LEU A 55 -5.447 12.717 13.829 1.00 0.00 C ATOM 835 C LEU A 55 -5.161 11.860 12.599 1.00 0.00 C ATOM 836 O LEU A 55 -5.131 10.631 12.676 1.00 0.00 O ATOM 837 CB LEU A 55 -6.924 13.118 13.855 1.00 0.00 C ATOM 838 CG LEU A 55 -7.260 13.790 15.197 1.00 0.00 C ATOM 839 CD1 LEU A 55 -8.655 14.414 15.114 1.00 0.00 C ATOM 840 CD2 LEU A 55 -7.225 12.758 16.345 1.00 0.00 C ATOM 0 H LEU A 55 -5.111 14.787 13.690 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.218 12.130 14.719 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.139 13.800 13.033 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.551 12.238 13.712 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.518 14.562 15.400 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.897 14.891 16.063 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.674 15.159 14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.389 13.637 14.901 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.465 13.252 17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.956 11.973 16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.229 12.319 16.410 1.00 0.00 H new ATOM 852 N ALA A 56 -4.952 12.520 11.468 1.00 0.00 N ATOM 853 CA ALA A 56 -4.672 11.822 10.218 1.00 0.00 C ATOM 854 C ALA A 56 -3.452 10.922 10.363 1.00 0.00 C ATOM 855 O ALA A 56 -3.229 10.033 9.542 1.00 0.00 O ATOM 856 CB ALA A 56 -4.426 12.832 9.096 1.00 0.00 C ATOM 0 H ALA A 56 -4.971 13.537 11.389 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.537 11.206 9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.218 12.301 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.311 13.455 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.574 13.461 9.353 1.00 0.00 H new ATOM 862 N LEU A 57 -2.660 11.154 11.414 1.00 0.00 N ATOM 863 CA LEU A 57 -1.455 10.356 11.662 1.00 0.00 C ATOM 864 C LEU A 57 -1.503 9.731 13.068 1.00 0.00 C ATOM 865 O LEU A 57 -1.056 10.343 14.038 1.00 0.00 O ATOM 866 CB LEU A 57 -0.216 11.249 11.524 1.00 0.00 C ATOM 867 CG LEU A 57 -0.252 11.978 10.170 1.00 0.00 C ATOM 868 CD1 LEU A 57 0.882 13.007 10.115 1.00 0.00 C ATOM 869 CD2 LEU A 57 -0.082 10.969 9.022 1.00 0.00 C ATOM 0 H LEU A 57 -2.830 11.885 12.105 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.405 9.550 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.185 11.974 12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.689 10.646 11.600 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.213 12.482 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.858 13.524 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.756 13.730 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.840 12.499 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.109 11.495 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.874 10.456 9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.891 10.239 9.057 1.00 0.00 H new ATOM 881 N PRO A 58 -2.049 8.536 13.195 1.00 0.00 N ATOM 882 CA PRO A 58 -2.169 7.825 14.514 1.00 0.00 C ATOM 883 C PRO A 58 -0.835 7.774 15.287 1.00 0.00 C ATOM 884 O PRO A 58 0.169 8.318 14.832 1.00 0.00 O ATOM 885 CB PRO A 58 -2.651 6.416 14.123 1.00 0.00 C ATOM 886 CG PRO A 58 -3.310 6.570 12.788 1.00 0.00 C ATOM 887 CD PRO A 58 -2.612 7.739 12.093 1.00 0.00 C ATOM 0 HA PRO A 58 -2.850 8.337 15.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.816 5.717 14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.349 6.022 14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.215 5.657 12.201 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.376 6.767 12.902 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.832 7.391 11.416 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.313 8.324 11.498 1.00 0.00 H new ATOM 895 N PRO A 59 -0.813 7.143 16.449 1.00 0.00 N ATOM 896 CA PRO A 59 0.422 7.036 17.297 1.00 0.00 C ATOM 897 C PRO A 59 1.590 6.381 16.552 1.00 0.00 C ATOM 898 O PRO A 59 2.740 6.796 16.690 1.00 0.00 O ATOM 899 CB PRO A 59 -0.025 6.176 18.499 1.00 0.00 C ATOM 900 CG PRO A 59 -1.514 6.303 18.535 1.00 0.00 C ATOM 901 CD PRO A 59 -1.954 6.457 17.081 1.00 0.00 C ATOM 0 HA PRO A 59 0.797 8.017 17.589 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.279 5.137 18.375 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.424 6.531 19.427 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.970 5.424 18.991 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.819 7.165 19.129 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.149 5.491 16.616 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.870 7.042 16.998 1.00 0.00 H new ATOM 909 N ARG A 60 1.282 5.354 15.765 1.00 0.00 N ATOM 910 CA ARG A 60 2.310 4.642 15.006 1.00 0.00 C ATOM 911 C ARG A 60 2.965 5.563 13.978 1.00 0.00 C ATOM 912 O ARG A 60 3.746 5.112 13.140 1.00 0.00 O ATOM 913 CB ARG A 60 1.696 3.443 14.277 1.00 0.00 C ATOM 914 CG ARG A 60 0.418 3.884 13.554 1.00 0.00 C ATOM 915 CD ARG A 60 0.081 2.886 12.442 1.00 0.00 C ATOM 916 NE ARG A 60 1.178 2.825 11.479 1.00 0.00 N ATOM 917 CZ ARG A 60 1.463 3.856 10.691 1.00 0.00 C ATOM 918 NH1 ARG A 60 0.755 4.950 10.768 1.00 0.00 N ATOM 919 NH2 ARG A 60 2.449 3.775 9.841 1.00 0.00 N ATOM 0 H ARG A 60 0.336 4.997 15.635 1.00 0.00 H new ATOM 0 HA ARG A 60 3.066 4.298 15.712 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.409 3.035 13.561 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.469 2.649 14.988 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.408 3.946 14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.553 4.880 13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.095 1.899 12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.839 3.185 11.940 1.00 0.00 H new ATOM 0 HE ARG A 60 1.736 1.974 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.016 5.013 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.973 5.742 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.002 2.920 9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.667 4.567 9.236 1.00 0.00 H new ATOM 933 N ALA A 61 2.644 6.850 14.051 1.00 0.00 N ATOM 934 CA ALA A 61 3.212 7.820 13.127 1.00 0.00 C ATOM 935 C ALA A 61 4.641 8.158 13.530 1.00 0.00 C ATOM 936 O ALA A 61 4.868 9.017 14.383 1.00 0.00 O ATOM 937 CB ALA A 61 2.367 9.093 13.120 1.00 0.00 C ATOM 0 H ALA A 61 1.998 7.242 14.736 1.00 0.00 H new ATOM 0 HA ALA A 61 3.218 7.386 12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.800 9.813 12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.351 8.853 12.808 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.347 9.522 14.122 1.00 0.00 H new