USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot 122:sc= -2.43 USER MOD Set 1.2: A 21 MET CE :methyl -171:sc= -4.07! (180deg=-4.6!) USER MOD Set 2.1: A 14 ASN : amide:sc= -3.25 K(o=-5,f=-14!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -162:sc= -1.71! (180deg=-1.48) USER MOD Single : A 2 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.1) USER MOD Single : A 4 SER OG : rot 120:sc= -0.0508 USER MOD Single : A 15 THR OG1 : rot 72:sc= -0.635 USER MOD Single : A 22 MET CE :methyl -171:sc= -4.39! (180deg=-4.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 28 SER OG : rot 180:sc= -0.356 USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.248 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -148:sc= -8.87! (180deg=-17.4!) USER MOD Single : A 44 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.29! C(o=-3.3!,f=-5.2!) USER MOD Single : A 47 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.56) USER MOD Single : A 51 MET CE :methyl -167:sc= -1.99 (180deg=-2.57!) USER MOD Single : A 53 THR OG1 : rot 87:sc= -1.15 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.69! USER MOD Single : A 56 MET CE :methyl -169:sc= -3.92! (180deg=-4.07!) USER MOD Single : A 59 MET CE :methyl 172:sc= -5.63! (180deg=-6.07!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.8 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.038 0.354 -4.969 1.00 43.41 N ATOM 33 CA GLN A 2 -1.679 1.453 -5.671 1.00 41.22 C ATOM 34 C GLN A 2 -2.395 0.938 -6.922 1.00 3.44 C ATOM 35 O GLN A 2 -1.818 0.186 -7.705 1.00 75.34 O ATOM 36 CB GLN A 2 -0.665 2.541 -6.029 1.00 3.51 C ATOM 37 CG GLN A 2 0.468 1.975 -6.887 1.00 71.34 C ATOM 38 CD GLN A 2 0.661 2.805 -8.158 1.00 4.54 C ATOM 39 OE1 GLN A 2 1.761 3.194 -8.514 1.00 44.34 O ATOM 40 NE2 GLN A 2 -0.466 3.055 -8.818 1.00 62.30 N ATOM 0 HA GLN A 2 -2.421 1.898 -5.008 1.00 41.22 H new ATOM 0 HB2 GLN A 2 -1.165 3.346 -6.567 1.00 3.51 H new ATOM 0 HB3 GLN A 2 -0.254 2.974 -5.117 1.00 3.51 H new ATOM 0 HG2 GLN A 2 1.394 1.964 -6.312 1.00 71.34 H new ATOM 0 HG3 GLN A 2 0.246 0.942 -7.153 1.00 71.34 H new ATOM 0 HE21 GLN A 2 -1.354 2.699 -8.464 1.00 62.30 H new ATOM 0 HE22 GLN A 2 -0.443 3.603 -9.678 1.00 62.30 H new ATOM 49 N GLU A 3 -3.640 1.365 -7.069 1.00 73.12 N ATOM 50 CA GLU A 3 -4.441 0.957 -8.211 1.00 61.50 C ATOM 51 C GLU A 3 -3.785 1.422 -9.513 1.00 31.23 C ATOM 52 O GLU A 3 -3.353 2.568 -9.619 1.00 3.42 O ATOM 53 CB GLU A 3 -5.871 1.489 -8.097 1.00 23.23 C ATOM 54 CG GLU A 3 -6.794 0.449 -7.458 1.00 64.34 C ATOM 55 CD GLU A 3 -8.230 0.969 -7.372 1.00 4.51 C ATOM 56 OE1 GLU A 3 -8.469 2.033 -6.781 1.00 42.21 O ATOM 57 OE2 GLU A 3 -9.114 0.227 -7.947 1.00 53.41 O ATOM 0 H GLU A 3 -4.114 1.989 -6.417 1.00 73.12 H new ATOM 0 HA GLU A 3 -4.494 -0.132 -8.222 1.00 61.50 H new ATOM 0 HB2 GLU A 3 -5.877 2.401 -7.500 1.00 23.23 H new ATOM 0 HB3 GLU A 3 -6.245 1.753 -9.086 1.00 23.23 H new ATOM 0 HG2 GLU A 3 -6.771 -0.471 -8.043 1.00 64.34 H new ATOM 0 HG3 GLU A 3 -6.433 0.201 -6.460 1.00 64.34 H new ATOM 65 N SER A 4 -3.732 0.508 -10.471 1.00 2.04 N ATOM 66 CA SER A 4 -3.136 0.810 -11.761 1.00 0.40 C ATOM 67 C SER A 4 -4.170 0.621 -12.872 1.00 73.43 C ATOM 68 O SER A 4 -4.996 -0.289 -12.808 1.00 50.20 O ATOM 69 CB SER A 4 -1.910 -0.068 -12.021 1.00 14.30 C ATOM 70 OG SER A 4 -1.312 -0.522 -10.810 1.00 15.02 O ATOM 0 H SER A 4 -4.092 -0.442 -10.379 1.00 2.04 H new ATOM 0 HA SER A 4 -2.809 1.850 -11.751 1.00 0.40 H new ATOM 0 HB2 SER A 4 -2.201 -0.927 -12.626 1.00 14.30 H new ATOM 0 HB3 SER A 4 -1.177 0.495 -12.599 1.00 14.30 H new ATOM 0 HG SER A 4 -1.323 -1.502 -10.787 1.00 15.02 H new ATOM 76 N VAL A 5 -4.091 1.494 -13.866 1.00 35.34 N ATOM 77 CA VAL A 5 -5.010 1.434 -14.990 1.00 35.25 C ATOM 78 C VAL A 5 -4.963 0.035 -15.607 1.00 73.23 C ATOM 79 O VAL A 5 -3.885 -0.521 -15.813 1.00 53.42 O ATOM 80 CB VAL A 5 -4.683 2.542 -15.993 1.00 33.32 C ATOM 81 CG1 VAL A 5 -5.494 2.373 -17.279 1.00 43.05 C ATOM 82 CG2 VAL A 5 -4.912 3.924 -15.377 1.00 74.45 C ATOM 0 H VAL A 5 -3.405 2.247 -13.916 1.00 35.34 H new ATOM 0 HA VAL A 5 -6.033 1.608 -14.657 1.00 35.25 H new ATOM 0 HB VAL A 5 -3.627 2.461 -16.250 1.00 33.32 H new ATOM 0 HG11 VAL A 5 -5.243 3.173 -17.975 1.00 43.05 H new ATOM 0 HG12 VAL A 5 -5.260 1.410 -17.733 1.00 43.05 H new ATOM 0 HG13 VAL A 5 -6.558 2.415 -17.046 1.00 43.05 H new ATOM 0 HG21 VAL A 5 -4.672 4.694 -16.111 1.00 74.45 H new ATOM 0 HG22 VAL A 5 -5.956 4.021 -15.078 1.00 74.45 H new ATOM 0 HG23 VAL A 5 -4.271 4.044 -14.503 1.00 74.45 H new ATOM 92 N VAL A 6 -6.146 -0.494 -15.886 1.00 25.54 N ATOM 93 CA VAL A 6 -6.253 -1.818 -16.476 1.00 23.03 C ATOM 94 C VAL A 6 -7.311 -1.795 -17.580 1.00 74.10 C ATOM 95 O VAL A 6 -8.449 -1.389 -17.346 1.00 44.33 O ATOM 96 CB VAL A 6 -6.545 -2.854 -15.388 1.00 55.32 C ATOM 97 CG1 VAL A 6 -6.907 -4.207 -16.003 1.00 64.22 C ATOM 98 CG2 VAL A 6 -5.364 -2.987 -14.425 1.00 41.53 C ATOM 0 H VAL A 6 -7.038 -0.030 -15.714 1.00 25.54 H new ATOM 0 HA VAL A 6 -5.309 -2.109 -16.937 1.00 23.03 H new ATOM 0 HB VAL A 6 -7.405 -2.505 -14.816 1.00 55.32 H new ATOM 0 HG11 VAL A 6 -7.110 -4.925 -15.209 1.00 64.22 H new ATOM 0 HG12 VAL A 6 -7.793 -4.097 -16.628 1.00 64.22 H new ATOM 0 HG13 VAL A 6 -6.076 -4.564 -16.611 1.00 64.22 H new ATOM 0 HG21 VAL A 6 -5.598 -3.729 -13.662 1.00 41.53 H new ATOM 0 HG22 VAL A 6 -4.478 -3.301 -14.977 1.00 41.53 H new ATOM 0 HG23 VAL A 6 -5.173 -2.025 -13.949 1.00 41.53 H new ATOM 108 N ALA A 7 -6.900 -2.237 -18.759 1.00 41.45 N ATOM 109 CA ALA A 7 -7.799 -2.272 -19.901 1.00 2.14 C ATOM 110 C ALA A 7 -9.076 -3.020 -19.515 1.00 73.50 C ATOM 111 O ALA A 7 -9.096 -4.250 -19.491 1.00 31.11 O ATOM 112 CB ALA A 7 -7.085 -2.912 -21.093 1.00 53.11 C ATOM 0 H ALA A 7 -5.956 -2.574 -18.949 1.00 41.45 H new ATOM 0 HA ALA A 7 -8.085 -1.263 -20.197 1.00 2.14 H new ATOM 0 HB1 ALA A 7 -7.759 -2.938 -21.949 1.00 53.11 H new ATOM 0 HB2 ALA A 7 -6.201 -2.326 -21.345 1.00 53.11 H new ATOM 0 HB3 ALA A 7 -6.786 -3.928 -20.835 1.00 53.11 H new ATOM 118 N ALA A 8 -10.112 -2.247 -19.223 1.00 62.31 N ATOM 119 CA ALA A 8 -11.390 -2.822 -18.840 1.00 13.11 C ATOM 120 C ALA A 8 -11.950 -3.634 -20.009 1.00 73.41 C ATOM 121 O ALA A 8 -12.892 -4.407 -19.838 1.00 23.31 O ATOM 122 CB ALA A 8 -12.339 -1.706 -18.397 1.00 74.44 C ATOM 0 H ALA A 8 -10.092 -1.227 -19.244 1.00 62.31 H new ATOM 0 HA ALA A 8 -11.268 -3.501 -17.996 1.00 13.11 H new ATOM 0 HB1 ALA A 8 -13.298 -2.137 -18.110 1.00 74.44 H new ATOM 0 HB2 ALA A 8 -11.908 -1.179 -17.546 1.00 74.44 H new ATOM 0 HB3 ALA A 8 -12.487 -1.007 -19.220 1.00 74.44 H new ATOM 128 N VAL A 9 -11.348 -3.432 -21.171 1.00 44.54 N ATOM 129 CA VAL A 9 -11.774 -4.136 -22.369 1.00 14.34 C ATOM 130 C VAL A 9 -10.594 -4.253 -23.335 1.00 4.45 C ATOM 131 O VAL A 9 -9.554 -3.628 -23.128 1.00 71.22 O ATOM 132 CB VAL A 9 -12.985 -3.432 -22.986 1.00 64.02 C ATOM 133 CG1 VAL A 9 -14.206 -3.537 -22.071 1.00 30.40 C ATOM 134 CG2 VAL A 9 -12.664 -1.971 -23.307 1.00 52.23 C ATOM 0 H VAL A 9 -10.567 -2.790 -21.309 1.00 44.54 H new ATOM 0 HA VAL A 9 -12.093 -5.149 -22.123 1.00 14.34 H new ATOM 0 HB VAL A 9 -13.225 -3.936 -23.922 1.00 64.02 H new ATOM 0 HG11 VAL A 9 -15.052 -3.029 -22.533 1.00 30.40 H new ATOM 0 HG12 VAL A 9 -14.455 -4.587 -21.915 1.00 30.40 H new ATOM 0 HG13 VAL A 9 -13.983 -3.071 -21.111 1.00 30.40 H new ATOM 0 HG21 VAL A 9 -13.541 -1.493 -23.744 1.00 52.23 H new ATOM 0 HG22 VAL A 9 -12.386 -1.450 -22.391 1.00 52.23 H new ATOM 0 HG23 VAL A 9 -11.836 -1.927 -24.015 1.00 52.23 H new ATOM 144 N LEU A 10 -10.793 -5.057 -24.368 1.00 54.23 N ATOM 145 CA LEU A 10 -9.758 -5.264 -25.367 1.00 11.53 C ATOM 146 C LEU A 10 -9.517 -3.956 -26.124 1.00 11.25 C ATOM 147 O LEU A 10 -10.191 -3.674 -27.113 1.00 13.21 O ATOM 148 CB LEU A 10 -10.116 -6.442 -26.274 1.00 75.21 C ATOM 149 CG LEU A 10 -9.375 -6.509 -27.611 1.00 32.11 C ATOM 150 CD1 LEU A 10 -8.033 -7.227 -27.458 1.00 71.32 C ATOM 151 CD2 LEU A 10 -10.249 -7.150 -28.691 1.00 21.52 C ATOM 0 H LEU A 10 -11.656 -5.574 -24.535 1.00 54.23 H new ATOM 0 HA LEU A 10 -8.816 -5.535 -24.889 1.00 11.53 H new ATOM 0 HB2 LEU A 10 -9.925 -7.366 -25.729 1.00 75.21 H new ATOM 0 HB3 LEU A 10 -11.187 -6.407 -26.476 1.00 75.21 H new ATOM 0 HG LEU A 10 -9.160 -5.490 -27.934 1.00 32.11 H new ATOM 0 HD11 LEU A 10 -7.527 -7.261 -28.423 1.00 71.32 H new ATOM 0 HD12 LEU A 10 -7.412 -6.689 -26.741 1.00 71.32 H new ATOM 0 HD13 LEU A 10 -8.202 -8.243 -27.101 1.00 71.32 H new ATOM 0 HD21 LEU A 10 -9.698 -7.185 -29.631 1.00 21.52 H new ATOM 0 HD22 LEU A 10 -10.517 -8.163 -28.389 1.00 21.52 H new ATOM 0 HD23 LEU A 10 -11.155 -6.559 -28.823 1.00 21.52 H new ATOM 163 N ILE A 11 -8.554 -3.192 -25.629 1.00 64.34 N ATOM 164 CA ILE A 11 -8.215 -1.921 -26.247 1.00 32.23 C ATOM 165 C ILE A 11 -7.256 -2.165 -27.414 1.00 31.15 C ATOM 166 O ILE A 11 -6.122 -2.597 -27.210 1.00 54.41 O ATOM 167 CB ILE A 11 -7.675 -0.944 -25.200 1.00 61.43 C ATOM 168 CG1 ILE A 11 -8.256 -1.245 -23.817 1.00 75.34 C ATOM 169 CG2 ILE A 11 -7.923 0.505 -25.623 1.00 62.15 C ATOM 170 CD1 ILE A 11 -8.223 -0.002 -22.926 1.00 74.04 C ATOM 0 H ILE A 11 -7.998 -3.429 -24.807 1.00 64.34 H new ATOM 0 HA ILE A 11 -9.106 -1.449 -26.661 1.00 32.23 H new ATOM 0 HB ILE A 11 -6.596 -1.079 -25.132 1.00 61.43 H new ATOM 0 HG12 ILE A 11 -9.283 -1.597 -23.919 1.00 75.34 H new ATOM 0 HG13 ILE A 11 -7.689 -2.049 -23.347 1.00 75.34 H new ATOM 0 HG21 ILE A 11 -7.530 1.179 -24.862 1.00 62.15 H new ATOM 0 HG22 ILE A 11 -7.422 0.698 -26.572 1.00 62.15 H new ATOM 0 HG23 ILE A 11 -8.994 0.672 -25.737 1.00 62.15 H new ATOM 0 HD11 ILE A 11 -8.642 -0.243 -21.949 1.00 74.04 H new ATOM 0 HD12 ILE A 11 -7.193 0.333 -22.807 1.00 74.04 H new ATOM 0 HD13 ILE A 11 -8.811 0.792 -23.387 1.00 74.04 H new ATOM 182 N PRO A 12 -7.759 -1.871 -28.642 1.00 52.52 N ATOM 183 CA PRO A 12 -6.960 -2.053 -29.842 1.00 22.23 C ATOM 184 C PRO A 12 -5.906 -0.952 -29.971 1.00 45.11 C ATOM 185 O PRO A 12 -5.904 0.005 -29.198 1.00 61.20 O ATOM 186 CB PRO A 12 -7.961 -2.055 -30.985 1.00 40.53 C ATOM 187 CG PRO A 12 -9.223 -1.411 -30.435 1.00 13.20 C ATOM 188 CD PRO A 12 -9.097 -1.358 -28.921 1.00 53.42 C ATOM 0 HA PRO A 12 -6.388 -2.981 -29.830 1.00 22.23 H new ATOM 0 HB2 PRO A 12 -7.579 -1.497 -31.840 1.00 40.53 H new ATOM 0 HB3 PRO A 12 -8.159 -3.070 -31.329 1.00 40.53 H new ATOM 0 HG2 PRO A 12 -9.349 -0.408 -30.843 1.00 13.20 H new ATOM 0 HG3 PRO A 12 -10.103 -1.986 -30.725 1.00 13.20 H new ATOM 0 HD2 PRO A 12 -9.216 -0.340 -28.549 1.00 53.42 H new ATOM 0 HD3 PRO A 12 -9.863 -1.966 -28.438 1.00 53.42 H new ATOM 196 N ILE A 13 -5.034 -1.124 -30.954 1.00 53.34 N ATOM 197 CA ILE A 13 -3.977 -0.156 -31.195 1.00 72.21 C ATOM 198 C ILE A 13 -4.583 1.118 -31.786 1.00 13.41 C ATOM 199 O ILE A 13 -5.605 1.065 -32.469 1.00 45.44 O ATOM 200 CB ILE A 13 -2.875 -0.771 -32.060 1.00 21.11 C ATOM 201 CG1 ILE A 13 -1.663 0.159 -32.147 1.00 53.30 C ATOM 202 CG2 ILE A 13 -3.409 -1.148 -33.443 1.00 52.43 C ATOM 203 CD1 ILE A 13 -0.726 -0.266 -33.279 1.00 2.01 C ATOM 0 H ILE A 13 -5.038 -1.919 -31.593 1.00 53.34 H new ATOM 0 HA ILE A 13 -3.496 0.124 -30.258 1.00 72.21 H new ATOM 0 HB ILE A 13 -2.540 -1.692 -31.583 1.00 21.11 H new ATOM 0 HG12 ILE A 13 -1.997 1.183 -32.312 1.00 53.30 H new ATOM 0 HG13 ILE A 13 -1.123 0.148 -31.200 1.00 53.30 H new ATOM 0 HG21 ILE A 13 -2.605 -1.583 -34.037 1.00 52.43 H new ATOM 0 HG22 ILE A 13 -4.215 -1.874 -33.336 1.00 52.43 H new ATOM 0 HG23 ILE A 13 -3.788 -0.256 -33.942 1.00 52.43 H new ATOM 0 HD11 ILE A 13 0.127 0.411 -33.319 1.00 2.01 H new ATOM 0 HD12 ILE A 13 -0.374 -1.282 -33.098 1.00 2.01 H new ATOM 0 HD13 ILE A 13 -1.262 -0.231 -34.227 1.00 2.01 H new ATOM 215 N ASN A 14 -3.928 2.234 -31.501 1.00 12.23 N ATOM 216 CA ASN A 14 -4.390 3.520 -31.995 1.00 43.23 C ATOM 217 C ASN A 14 -5.893 3.651 -31.740 1.00 25.53 C ATOM 218 O ASN A 14 -6.654 3.976 -32.649 1.00 15.33 O ATOM 219 CB ASN A 14 -4.153 3.648 -33.501 1.00 55.04 C ATOM 220 CG ASN A 14 -2.671 3.483 -33.840 1.00 5.12 C ATOM 221 OD1 ASN A 14 -1.867 4.388 -33.683 1.00 21.45 O ATOM 222 ND2 ASN A 14 -2.354 2.281 -34.312 1.00 61.12 N ATOM 0 H ASN A 14 -3.081 2.274 -30.934 1.00 12.23 H new ATOM 0 HA ASN A 14 -3.835 4.300 -31.474 1.00 43.23 H new ATOM 0 HB2 ASN A 14 -4.736 2.894 -34.030 1.00 55.04 H new ATOM 0 HB3 ASN A 14 -4.502 4.621 -33.846 1.00 55.04 H new ATOM 0 HD21 ASN A 14 -1.389 2.072 -34.567 1.00 61.12 H new ATOM 0 HD22 ASN A 14 -3.076 1.568 -34.419 1.00 61.12 H new ATOM 229 N THR A 15 -6.274 3.389 -30.498 1.00 40.50 N ATOM 230 CA THR A 15 -7.672 3.474 -30.111 1.00 71.53 C ATOM 231 C THR A 15 -7.841 4.427 -28.927 1.00 34.12 C ATOM 232 O THR A 15 -7.279 4.199 -27.857 1.00 13.03 O ATOM 233 CB THR A 15 -8.170 2.055 -29.826 1.00 2.22 C ATOM 234 OG1 THR A 15 -8.170 1.424 -31.103 1.00 70.31 O ATOM 235 CG2 THR A 15 -9.638 2.025 -29.395 1.00 44.30 C ATOM 0 H THR A 15 -5.639 3.118 -29.747 1.00 40.50 H new ATOM 0 HA THR A 15 -8.280 3.893 -30.913 1.00 71.53 H new ATOM 0 HB THR A 15 -7.554 1.604 -29.048 1.00 2.22 H new ATOM 0 HG1 THR A 15 -7.247 1.256 -31.385 1.00 70.31 H new ATOM 0 HG21 THR A 15 -9.941 0.995 -29.205 1.00 44.30 H new ATOM 0 HG22 THR A 15 -9.762 2.613 -28.486 1.00 44.30 H new ATOM 0 HG23 THR A 15 -10.258 2.445 -30.187 1.00 44.30 H new ATOM 243 N ALA A 16 -8.618 5.475 -29.158 1.00 75.31 N ATOM 244 CA ALA A 16 -8.869 6.464 -28.123 1.00 61.33 C ATOM 245 C ALA A 16 -9.350 5.757 -26.854 1.00 41.23 C ATOM 246 O ALA A 16 -10.215 4.885 -26.915 1.00 61.12 O ATOM 247 CB ALA A 16 -9.878 7.494 -28.635 1.00 64.01 C ATOM 0 H ALA A 16 -9.082 5.661 -30.047 1.00 75.31 H new ATOM 0 HA ALA A 16 -7.953 7.000 -27.874 1.00 61.33 H new ATOM 0 HB1 ALA A 16 -10.066 8.236 -27.859 1.00 64.01 H new ATOM 0 HB2 ALA A 16 -9.476 7.988 -29.520 1.00 64.01 H new ATOM 0 HB3 ALA A 16 -10.811 6.993 -28.892 1.00 64.01 H new ATOM 253 N LEU A 17 -8.768 6.160 -25.734 1.00 51.33 N ATOM 254 CA LEU A 17 -9.127 5.577 -24.453 1.00 25.22 C ATOM 255 C LEU A 17 -10.322 6.332 -23.870 1.00 13.42 C ATOM 256 O LEU A 17 -10.429 7.548 -24.026 1.00 75.33 O ATOM 257 CB LEU A 17 -7.912 5.537 -23.524 1.00 3.24 C ATOM 258 CG LEU A 17 -6.744 4.661 -23.983 1.00 34.14 C ATOM 259 CD1 LEU A 17 -5.482 4.960 -23.171 1.00 52.15 C ATOM 260 CD2 LEU A 17 -7.119 3.178 -23.934 1.00 13.45 C ATOM 0 H LEU A 17 -8.050 6.883 -25.687 1.00 51.33 H new ATOM 0 HA LEU A 17 -9.437 4.540 -24.580 1.00 25.22 H new ATOM 0 HB2 LEU A 17 -7.546 6.555 -23.393 1.00 3.24 H new ATOM 0 HB3 LEU A 17 -8.240 5.187 -22.545 1.00 3.24 H new ATOM 0 HG LEU A 17 -6.523 4.903 -25.022 1.00 34.14 H new ATOM 0 HD11 LEU A 17 -4.667 4.324 -23.517 1.00 52.15 H new ATOM 0 HD12 LEU A 17 -5.206 6.006 -23.300 1.00 52.15 H new ATOM 0 HD13 LEU A 17 -5.673 4.763 -22.116 1.00 52.15 H new ATOM 0 HD21 LEU A 17 -6.272 2.577 -24.265 1.00 13.45 H new ATOM 0 HD22 LEU A 17 -7.382 2.903 -22.913 1.00 13.45 H new ATOM 0 HD23 LEU A 17 -7.971 2.996 -24.589 1.00 13.45 H new ATOM 272 N THR A 18 -11.191 5.581 -23.210 1.00 14.35 N ATOM 273 CA THR A 18 -12.375 6.165 -22.602 1.00 55.03 C ATOM 274 C THR A 18 -12.473 5.762 -21.130 1.00 12.24 C ATOM 275 O THR A 18 -11.706 4.924 -20.659 1.00 62.24 O ATOM 276 CB THR A 18 -13.590 5.740 -23.430 1.00 42.14 C ATOM 277 OG1 THR A 18 -13.459 4.325 -23.537 1.00 15.12 O ATOM 278 CG2 THR A 18 -13.513 6.231 -24.877 1.00 43.34 C ATOM 0 H THR A 18 -11.099 4.573 -23.083 1.00 14.35 H new ATOM 0 HA THR A 18 -12.325 7.254 -22.606 1.00 55.03 H new ATOM 0 HB THR A 18 -14.498 6.123 -22.964 1.00 42.14 H new ATOM 0 HG1 THR A 18 -14.257 3.894 -23.167 1.00 15.12 H new ATOM 0 HG21 THR A 18 -14.399 5.902 -25.420 1.00 43.34 H new ATOM 0 HG22 THR A 18 -13.463 7.320 -24.890 1.00 43.34 H new ATOM 0 HG23 THR A 18 -12.622 5.821 -25.353 1.00 43.34 H new ATOM 286 N VAL A 19 -13.424 6.379 -20.443 1.00 23.45 N ATOM 287 CA VAL A 19 -13.632 6.095 -19.033 1.00 22.23 C ATOM 288 C VAL A 19 -14.387 4.772 -18.889 1.00 65.43 C ATOM 289 O VAL A 19 -14.459 4.209 -17.798 1.00 3.23 O ATOM 290 CB VAL A 19 -14.350 7.268 -18.363 1.00 42.21 C ATOM 291 CG1 VAL A 19 -15.868 7.108 -18.458 1.00 54.11 C ATOM 292 CG2 VAL A 19 -13.905 7.425 -16.908 1.00 22.23 C ATOM 0 H VAL A 19 -14.059 7.074 -20.836 1.00 23.45 H new ATOM 0 HA VAL A 19 -12.676 5.981 -18.522 1.00 22.23 H new ATOM 0 HB VAL A 19 -14.075 8.178 -18.897 1.00 42.21 H new ATOM 0 HG11 VAL A 19 -16.354 7.955 -17.974 1.00 54.11 H new ATOM 0 HG12 VAL A 19 -16.165 7.069 -19.506 1.00 54.11 H new ATOM 0 HG13 VAL A 19 -16.168 6.185 -17.962 1.00 54.11 H new ATOM 0 HG21 VAL A 19 -14.431 8.266 -16.455 1.00 22.23 H new ATOM 0 HG22 VAL A 19 -14.136 6.514 -16.357 1.00 22.23 H new ATOM 0 HG23 VAL A 19 -12.831 7.608 -16.874 1.00 22.23 H new ATOM 302 N GLY A 20 -14.930 4.313 -20.007 1.00 62.12 N ATOM 303 CA GLY A 20 -15.676 3.066 -20.020 1.00 15.42 C ATOM 304 C GLY A 20 -14.855 1.942 -20.653 1.00 71.42 C ATOM 305 O GLY A 20 -15.382 0.866 -20.934 1.00 43.12 O ATOM 0 H GLY A 20 -14.868 4.782 -20.910 1.00 62.12 H new ATOM 0 HA2 GLY A 20 -15.950 2.792 -19.001 1.00 15.42 H new ATOM 0 HA3 GLY A 20 -16.605 3.200 -20.575 1.00 15.42 H new ATOM 309 N MET A 21 -13.578 2.229 -20.859 1.00 72.44 N ATOM 310 CA MET A 21 -12.679 1.255 -21.454 1.00 61.44 C ATOM 311 C MET A 21 -11.584 0.845 -20.467 1.00 70.54 C ATOM 312 O MET A 21 -11.123 -0.296 -20.484 1.00 54.14 O ATOM 313 CB MET A 21 -12.038 1.851 -22.709 1.00 71.02 C ATOM 314 CG MET A 21 -12.811 1.445 -23.966 1.00 14.25 C ATOM 315 SD MET A 21 -11.675 1.108 -25.300 1.00 23.12 S ATOM 316 CE MET A 21 -10.724 2.619 -25.286 1.00 71.35 C ATOM 0 H MET A 21 -13.145 3.122 -20.624 1.00 72.44 H new ATOM 0 HA MET A 21 -13.256 0.368 -21.716 1.00 61.44 H new ATOM 0 HB2 MET A 21 -12.014 2.938 -22.628 1.00 71.02 H new ATOM 0 HB3 MET A 21 -11.004 1.514 -22.789 1.00 71.02 H new ATOM 0 HG2 MET A 21 -13.416 0.562 -23.761 1.00 14.25 H new ATOM 0 HG3 MET A 21 -13.497 2.242 -24.254 1.00 14.25 H new ATOM 0 HE1 MET A 21 -10.072 2.647 -26.159 1.00 71.35 H new ATOM 0 HE2 MET A 21 -11.399 3.474 -25.310 1.00 71.35 H new ATOM 0 HE3 MET A 21 -10.119 2.660 -24.380 1.00 71.35 H new ATOM 326 N MET A 22 -11.199 1.797 -19.631 1.00 31.13 N ATOM 327 CA MET A 22 -10.167 1.549 -18.638 1.00 50.13 C ATOM 328 C MET A 22 -10.783 1.216 -17.278 1.00 71.41 C ATOM 329 O MET A 22 -12.003 1.240 -17.122 1.00 60.34 O ATOM 330 CB MET A 22 -9.278 2.787 -18.506 1.00 43.15 C ATOM 331 CG MET A 22 -8.450 3.005 -19.775 1.00 1.03 C ATOM 332 SD MET A 22 -7.740 4.643 -19.766 1.00 60.34 S ATOM 333 CE MET A 22 -9.201 5.615 -20.093 1.00 44.41 C ATOM 0 H MET A 22 -11.583 2.742 -19.620 1.00 31.13 H new ATOM 0 HA MET A 22 -9.572 0.696 -18.965 1.00 50.13 H new ATOM 0 HB2 MET A 22 -9.896 3.664 -18.315 1.00 43.15 H new ATOM 0 HB3 MET A 22 -8.614 2.673 -17.649 1.00 43.15 H new ATOM 0 HG2 MET A 22 -7.659 2.257 -19.836 1.00 1.03 H new ATOM 0 HG3 MET A 22 -9.079 2.877 -20.656 1.00 1.03 H new ATOM 0 HE1 MET A 22 -8.915 6.650 -20.280 1.00 44.41 H new ATOM 0 HE2 MET A 22 -9.715 5.217 -20.968 1.00 44.41 H new ATOM 0 HE3 MET A 22 -9.867 5.572 -19.231 1.00 44.41 H new ATOM 343 N THR A 23 -9.911 0.912 -16.328 1.00 11.12 N ATOM 344 CA THR A 23 -10.354 0.574 -14.986 1.00 11.12 C ATOM 345 C THR A 23 -9.175 0.604 -14.012 1.00 2.44 C ATOM 346 O THR A 23 -8.023 0.721 -14.428 1.00 74.14 O ATOM 347 CB THR A 23 -11.057 -0.784 -15.048 1.00 5.43 C ATOM 348 OG1 THR A 23 -11.981 -0.746 -13.964 1.00 40.00 O ATOM 349 CG2 THR A 23 -10.121 -1.943 -14.699 1.00 71.34 C ATOM 0 H THR A 23 -8.900 0.893 -16.461 1.00 11.12 H new ATOM 0 HA THR A 23 -11.066 1.308 -14.608 1.00 11.12 H new ATOM 0 HB THR A 23 -11.467 -0.936 -16.047 1.00 5.43 H new ATOM 0 HG1 THR A 23 -12.482 -1.588 -13.931 1.00 40.00 H new ATOM 0 HG21 THR A 23 -10.669 -2.883 -14.758 1.00 71.34 H new ATOM 0 HG22 THR A 23 -9.289 -1.963 -15.403 1.00 71.34 H new ATOM 0 HG23 THR A 23 -9.738 -1.809 -13.687 1.00 71.34 H new ATOM 357 N THR A 24 -9.503 0.497 -12.732 1.00 44.43 N ATOM 358 CA THR A 24 -8.485 0.511 -11.695 1.00 61.03 C ATOM 359 C THR A 24 -8.415 -0.849 -10.998 1.00 75.35 C ATOM 360 O THR A 24 -9.435 -1.378 -10.559 1.00 31.33 O ATOM 361 CB THR A 24 -8.796 1.667 -10.742 1.00 73.34 C ATOM 362 OG1 THR A 24 -10.082 1.348 -10.218 1.00 73.42 O ATOM 363 CG2 THR A 24 -9.012 2.991 -11.478 1.00 71.45 C ATOM 0 H THR A 24 -10.459 0.400 -12.390 1.00 44.43 H new ATOM 0 HA THR A 24 -7.494 0.676 -12.117 1.00 61.03 H new ATOM 0 HB THR A 24 -7.980 1.778 -10.028 1.00 73.34 H new ATOM 0 HG1 THR A 24 -9.980 0.892 -9.356 1.00 73.42 H new ATOM 0 HG21 THR A 24 -9.229 3.778 -10.755 1.00 71.45 H new ATOM 0 HG22 THR A 24 -8.111 3.249 -12.035 1.00 71.45 H new ATOM 0 HG23 THR A 24 -9.850 2.891 -12.168 1.00 71.45 H new ATOM 371 N ARG A 25 -7.203 -1.377 -10.919 1.00 44.45 N ATOM 372 CA ARG A 25 -6.987 -2.665 -10.283 1.00 63.15 C ATOM 373 C ARG A 25 -5.534 -2.792 -9.822 1.00 25.40 C ATOM 374 O ARG A 25 -4.622 -2.303 -10.488 1.00 30.45 O ATOM 375 CB ARG A 25 -7.313 -3.813 -11.241 1.00 30.24 C ATOM 376 CG ARG A 25 -8.433 -4.693 -10.681 1.00 1.55 C ATOM 377 CD ARG A 25 -9.705 -4.561 -11.520 1.00 53.10 C ATOM 378 NE ARG A 25 -10.260 -5.902 -11.812 1.00 42.41 N ATOM 379 CZ ARG A 25 -11.537 -6.127 -12.188 1.00 44.03 C ATOM 380 NH1 ARG A 25 -12.403 -5.100 -12.321 1.00 71.34 N ATOM 381 NH2 ARG A 25 -11.925 -7.366 -12.424 1.00 31.31 N ATOM 0 H ARG A 25 -6.359 -0.936 -11.285 1.00 44.45 H new ATOM 0 HA ARG A 25 -7.652 -2.725 -9.421 1.00 63.15 H new ATOM 0 HB2 ARG A 25 -7.612 -3.410 -12.209 1.00 30.24 H new ATOM 0 HB3 ARG A 25 -6.421 -4.416 -11.408 1.00 30.24 H new ATOM 0 HG2 ARG A 25 -8.109 -5.734 -10.666 1.00 1.55 H new ATOM 0 HG3 ARG A 25 -8.642 -4.409 -9.650 1.00 1.55 H new ATOM 0 HD2 ARG A 25 -10.442 -3.962 -10.986 1.00 53.10 H new ATOM 0 HD3 ARG A 25 -9.484 -4.039 -12.451 1.00 53.10 H new ATOM 0 HE ARG A 25 -9.639 -6.706 -11.724 1.00 42.41 H new ATOM 0 HH11 ARG A 25 -12.094 -4.145 -12.137 1.00 71.34 H new ATOM 0 HH12 ARG A 25 -13.366 -5.279 -12.606 1.00 71.34 H new ATOM 0 HH21 ARG A 25 -11.264 -8.136 -12.321 1.00 31.31 H new ATOM 0 HH22 ARG A 25 -12.886 -7.554 -12.709 1.00 31.31 H new ATOM 394 N VAL A 26 -5.363 -3.452 -8.686 1.00 4.14 N ATOM 395 CA VAL A 26 -4.036 -3.650 -8.127 1.00 42.43 C ATOM 396 C VAL A 26 -3.335 -4.784 -8.878 1.00 34.23 C ATOM 397 O VAL A 26 -3.320 -5.923 -8.414 1.00 73.40 O ATOM 398 CB VAL A 26 -4.134 -3.900 -6.621 1.00 62.11 C ATOM 399 CG1 VAL A 26 -2.743 -4.006 -5.991 1.00 55.33 C ATOM 400 CG2 VAL A 26 -4.964 -2.812 -5.937 1.00 74.24 C ATOM 0 H VAL A 26 -6.122 -3.857 -8.137 1.00 4.14 H new ATOM 0 HA VAL A 26 -3.430 -2.753 -8.254 1.00 42.43 H new ATOM 0 HB VAL A 26 -4.643 -4.852 -6.472 1.00 62.11 H new ATOM 0 HG11 VAL A 26 -2.841 -4.184 -4.920 1.00 55.33 H new ATOM 0 HG12 VAL A 26 -2.199 -4.833 -6.448 1.00 55.33 H new ATOM 0 HG13 VAL A 26 -2.197 -3.077 -6.156 1.00 55.33 H new ATOM 0 HG21 VAL A 26 -5.018 -3.014 -4.867 1.00 74.24 H new ATOM 0 HG22 VAL A 26 -4.496 -1.841 -6.100 1.00 74.24 H new ATOM 0 HG23 VAL A 26 -5.970 -2.805 -6.356 1.00 74.24 H new ATOM 410 N VAL A 27 -2.772 -4.433 -10.025 1.00 34.35 N ATOM 411 CA VAL A 27 -2.072 -5.408 -10.844 1.00 10.04 C ATOM 412 C VAL A 27 -0.565 -5.168 -10.738 1.00 3.31 C ATOM 413 O VAL A 27 -0.131 -4.077 -10.371 1.00 3.21 O ATOM 414 CB VAL A 27 -2.587 -5.349 -12.283 1.00 54.20 C ATOM 415 CG1 VAL A 27 -4.116 -5.307 -12.317 1.00 34.34 C ATOM 416 CG2 VAL A 27 -1.990 -4.155 -13.031 1.00 23.14 C ATOM 0 H VAL A 27 -2.786 -3.487 -10.406 1.00 34.35 H new ATOM 0 HA VAL A 27 -2.266 -6.419 -10.485 1.00 10.04 H new ATOM 0 HB VAL A 27 -2.265 -6.258 -12.791 1.00 54.20 H new ATOM 0 HG11 VAL A 27 -4.456 -5.265 -13.352 1.00 34.34 H new ATOM 0 HG12 VAL A 27 -4.515 -6.202 -11.840 1.00 34.34 H new ATOM 0 HG13 VAL A 27 -4.468 -4.424 -11.784 1.00 34.34 H new ATOM 0 HG21 VAL A 27 -2.373 -4.137 -14.051 1.00 23.14 H new ATOM 0 HG22 VAL A 27 -2.268 -3.232 -12.523 1.00 23.14 H new ATOM 0 HG23 VAL A 27 -0.904 -4.245 -13.052 1.00 23.14 H new ATOM 426 N SER A 28 0.192 -6.205 -11.066 1.00 51.51 N ATOM 427 CA SER A 28 1.642 -6.120 -11.013 1.00 15.13 C ATOM 428 C SER A 28 2.242 -6.579 -12.343 1.00 31.31 C ATOM 429 O SER A 28 1.818 -7.589 -12.904 1.00 2.33 O ATOM 430 CB SER A 28 2.200 -6.958 -9.861 1.00 0.43 C ATOM 431 OG SER A 28 3.386 -6.389 -9.313 1.00 1.51 O ATOM 0 H SER A 28 -0.171 -7.108 -11.369 1.00 51.51 H new ATOM 0 HA SER A 28 1.918 -5.080 -10.837 1.00 15.13 H new ATOM 0 HB2 SER A 28 1.446 -7.047 -9.079 1.00 0.43 H new ATOM 0 HB3 SER A 28 2.412 -7.967 -10.216 1.00 0.43 H new ATOM 0 HG SER A 28 3.710 -6.952 -8.579 1.00 1.51 H new ATOM 437 N PRO A 29 3.245 -5.796 -12.822 1.00 3.14 N ATOM 438 CA PRO A 29 3.687 -4.618 -12.095 1.00 14.32 C ATOM 439 C PRO A 29 2.679 -3.475 -12.239 1.00 21.32 C ATOM 440 O PRO A 29 1.949 -3.408 -13.226 1.00 53.32 O ATOM 441 CB PRO A 29 5.050 -4.284 -12.677 1.00 63.12 C ATOM 442 CG PRO A 29 5.118 -5.000 -14.016 1.00 40.15 C ATOM 443 CD PRO A 29 3.983 -6.010 -14.063 1.00 24.21 C ATOM 0 HA PRO A 29 3.759 -4.789 -11.021 1.00 14.32 H new ATOM 0 HB2 PRO A 29 5.168 -3.208 -12.803 1.00 63.12 H new ATOM 0 HB3 PRO A 29 5.850 -4.617 -12.015 1.00 63.12 H new ATOM 0 HG2 PRO A 29 5.028 -4.287 -14.835 1.00 40.15 H new ATOM 0 HG3 PRO A 29 6.079 -5.500 -14.133 1.00 40.15 H new ATOM 0 HD2 PRO A 29 3.347 -5.851 -14.934 1.00 24.21 H new ATOM 0 HD3 PRO A 29 4.363 -7.030 -14.127 1.00 24.21 H new ATOM 451 N THR A 30 2.672 -2.605 -11.239 1.00 63.54 N ATOM 452 CA THR A 30 1.767 -1.469 -11.242 1.00 73.23 C ATOM 453 C THR A 30 2.137 -0.495 -12.362 1.00 5.41 C ATOM 454 O THR A 30 3.241 0.049 -12.377 1.00 31.43 O ATOM 455 CB THR A 30 1.798 -0.836 -9.850 1.00 44.30 C ATOM 456 OG1 THR A 30 3.186 -0.751 -9.539 1.00 23.24 O ATOM 457 CG2 THR A 30 1.230 -1.762 -8.772 1.00 44.54 C ATOM 0 H THR A 30 3.279 -2.665 -10.421 1.00 63.54 H new ATOM 0 HA THR A 30 0.743 -1.779 -11.450 1.00 73.23 H new ATOM 0 HB THR A 30 1.232 0.096 -9.862 1.00 44.30 H new ATOM 0 HG1 THR A 30 3.677 -0.423 -10.321 1.00 23.24 H new ATOM 0 HG21 THR A 30 1.276 -1.264 -7.804 1.00 44.54 H new ATOM 0 HG22 THR A 30 0.193 -2.002 -9.008 1.00 44.54 H new ATOM 0 HG23 THR A 30 1.816 -2.680 -8.736 1.00 44.54 H new ATOM 465 N GLY A 31 1.194 -0.303 -13.272 1.00 44.05 N ATOM 466 CA GLY A 31 1.408 0.597 -14.393 1.00 61.33 C ATOM 467 C GLY A 31 0.808 1.976 -14.112 1.00 31.42 C ATOM 468 O GLY A 31 0.746 2.406 -12.961 1.00 54.44 O ATOM 0 H GLY A 31 0.280 -0.755 -13.256 1.00 44.05 H new ATOM 0 HA2 GLY A 31 2.476 0.694 -14.587 1.00 61.33 H new ATOM 0 HA3 GLY A 31 0.957 0.177 -15.292 1.00 61.33 H new ATOM 472 N ILE A 32 0.381 2.630 -15.182 1.00 63.32 N ATOM 473 CA ILE A 32 -0.212 3.951 -15.065 1.00 2.03 C ATOM 474 C ILE A 32 -1.122 3.989 -13.835 1.00 41.45 C ATOM 475 O ILE A 32 -1.804 3.011 -13.533 1.00 4.44 O ATOM 476 CB ILE A 32 -0.918 4.339 -16.365 1.00 72.33 C ATOM 477 CG1 ILE A 32 0.077 4.432 -17.523 1.00 64.34 C ATOM 478 CG2 ILE A 32 -1.717 5.632 -16.191 1.00 30.11 C ATOM 479 CD1 ILE A 32 -0.634 4.293 -18.871 1.00 13.13 C ATOM 0 H ILE A 32 0.434 2.269 -16.135 1.00 63.32 H new ATOM 0 HA ILE A 32 0.561 4.704 -14.914 1.00 2.03 H new ATOM 0 HB ILE A 32 -1.630 3.552 -16.614 1.00 72.33 H new ATOM 0 HG12 ILE A 32 0.601 5.387 -17.481 1.00 64.34 H new ATOM 0 HG13 ILE A 32 0.830 3.651 -17.423 1.00 64.34 H new ATOM 0 HG21 ILE A 32 -2.209 5.885 -17.130 1.00 30.11 H new ATOM 0 HG22 ILE A 32 -2.468 5.494 -15.414 1.00 30.11 H new ATOM 0 HG23 ILE A 32 -1.044 6.440 -15.905 1.00 30.11 H new ATOM 0 HD11 ILE A 32 0.097 4.363 -19.677 1.00 13.13 H new ATOM 0 HD12 ILE A 32 -1.136 3.327 -18.919 1.00 13.13 H new ATOM 0 HD13 ILE A 32 -1.370 5.090 -18.978 1.00 13.13 H new ATOM 491 N PRO A 33 -1.103 5.159 -13.143 1.00 1.54 N ATOM 492 CA PRO A 33 -1.918 5.338 -11.953 1.00 40.21 C ATOM 493 C PRO A 33 -3.389 5.540 -12.322 1.00 11.23 C ATOM 494 O PRO A 33 -3.699 6.052 -13.397 1.00 21.43 O ATOM 495 CB PRO A 33 -1.314 6.537 -11.239 1.00 75.40 C ATOM 496 CG PRO A 33 -0.482 7.267 -12.281 1.00 31.44 C ATOM 497 CD PRO A 33 -0.308 6.339 -13.472 1.00 21.11 C ATOM 0 HA PRO A 33 -1.914 4.462 -11.304 1.00 40.21 H new ATOM 0 HB2 PRO A 33 -2.093 7.185 -10.837 1.00 75.40 H new ATOM 0 HB3 PRO A 33 -0.697 6.221 -10.398 1.00 75.40 H new ATOM 0 HG2 PRO A 33 -0.975 8.190 -12.585 1.00 31.44 H new ATOM 0 HG3 PRO A 33 0.488 7.545 -11.869 1.00 31.44 H new ATOM 0 HD2 PRO A 33 -0.657 6.807 -14.393 1.00 21.11 H new ATOM 0 HD3 PRO A 33 0.740 6.081 -13.623 1.00 21.11 H new ATOM 505 N ALA A 34 -4.257 5.128 -11.409 1.00 3.41 N ATOM 506 CA ALA A 34 -5.688 5.258 -11.624 1.00 62.04 C ATOM 507 C ALA A 34 -6.053 6.741 -11.716 1.00 72.14 C ATOM 508 O ALA A 34 -7.158 7.087 -12.131 1.00 52.02 O ATOM 509 CB ALA A 34 -6.440 4.541 -10.502 1.00 33.41 C ATOM 0 H ALA A 34 -3.996 4.704 -10.519 1.00 3.41 H new ATOM 0 HA ALA A 34 -5.979 4.788 -12.563 1.00 62.04 H new ATOM 0 HB1 ALA A 34 -7.514 4.639 -10.663 1.00 33.41 H new ATOM 0 HB2 ALA A 34 -6.168 3.485 -10.498 1.00 33.41 H new ATOM 0 HB3 ALA A 34 -6.175 4.987 -9.543 1.00 33.41 H new ATOM 515 N GLU A 35 -5.104 7.577 -11.323 1.00 22.14 N ATOM 516 CA GLU A 35 -5.312 9.015 -11.355 1.00 62.44 C ATOM 517 C GLU A 35 -5.090 9.551 -12.771 1.00 72.11 C ATOM 518 O GLU A 35 -5.405 10.705 -13.058 1.00 33.30 O ATOM 519 CB GLU A 35 -4.400 9.724 -10.352 1.00 33.53 C ATOM 520 CG GLU A 35 -2.979 9.858 -10.902 1.00 10.51 C ATOM 521 CD GLU A 35 -1.952 9.881 -9.768 1.00 11.41 C ATOM 522 OE1 GLU A 35 -1.877 8.927 -8.980 1.00 63.44 O ATOM 523 OE2 GLU A 35 -1.214 10.939 -9.722 1.00 34.33 O ATOM 0 H GLU A 35 -4.188 7.286 -10.980 1.00 22.14 H new ATOM 0 HA GLU A 35 -6.343 9.220 -11.066 1.00 62.44 H new ATOM 0 HB2 GLU A 35 -4.801 10.712 -10.126 1.00 33.53 H new ATOM 0 HB3 GLU A 35 -4.380 9.166 -9.416 1.00 33.53 H new ATOM 0 HG2 GLU A 35 -2.765 9.027 -11.574 1.00 10.51 H new ATOM 0 HG3 GLU A 35 -2.897 10.772 -11.490 1.00 10.51 H new ATOM 531 N ASP A 36 -4.550 8.688 -13.619 1.00 23.24 N ATOM 532 CA ASP A 36 -4.282 9.060 -14.997 1.00 53.34 C ATOM 533 C ASP A 36 -5.426 8.566 -15.886 1.00 1.24 C ATOM 534 O ASP A 36 -5.458 8.856 -17.081 1.00 14.25 O ATOM 535 CB ASP A 36 -2.985 8.423 -15.499 1.00 31.55 C ATOM 536 CG ASP A 36 -2.173 9.284 -16.468 1.00 10.35 C ATOM 537 OD1 ASP A 36 -1.221 9.971 -16.068 1.00 31.14 O ATOM 538 OD2 ASP A 36 -2.558 9.232 -17.698 1.00 31.24 O ATOM 0 H ASP A 36 -4.291 7.731 -13.378 1.00 23.24 H new ATOM 0 HA ASP A 36 -4.190 10.145 -15.041 1.00 53.34 H new ATOM 0 HB2 ASP A 36 -2.360 8.183 -14.639 1.00 31.55 H new ATOM 0 HB3 ASP A 36 -3.227 7.481 -15.990 1.00 31.55 H new ATOM 544 N ILE A 37 -6.336 7.828 -15.267 1.00 53.54 N ATOM 545 CA ILE A 37 -7.479 7.291 -15.987 1.00 3.30 C ATOM 546 C ILE A 37 -8.176 8.423 -16.745 1.00 72.51 C ATOM 547 O ILE A 37 -8.463 8.293 -17.934 1.00 44.43 O ATOM 548 CB ILE A 37 -8.402 6.529 -15.034 1.00 62.13 C ATOM 549 CG1 ILE A 37 -8.031 5.045 -14.982 1.00 10.31 C ATOM 550 CG2 ILE A 37 -9.870 6.740 -15.408 1.00 34.11 C ATOM 551 CD1 ILE A 37 -9.162 4.219 -14.367 1.00 32.13 C ATOM 0 H ILE A 37 -6.305 7.589 -14.276 1.00 53.54 H new ATOM 0 HA ILE A 37 -7.154 6.562 -16.730 1.00 3.30 H new ATOM 0 HB ILE A 37 -8.265 6.931 -14.030 1.00 62.13 H new ATOM 0 HG12 ILE A 37 -7.818 4.684 -15.988 1.00 10.31 H new ATOM 0 HG13 ILE A 37 -7.121 4.914 -14.397 1.00 10.31 H new ATOM 0 HG21 ILE A 37 -10.505 6.188 -14.715 1.00 34.11 H new ATOM 0 HG22 ILE A 37 -10.110 7.802 -15.353 1.00 34.11 H new ATOM 0 HG23 ILE A 37 -10.042 6.381 -16.423 1.00 34.11 H new ATOM 0 HD11 ILE A 37 -8.873 3.168 -14.342 1.00 32.13 H new ATOM 0 HD12 ILE A 37 -9.356 4.566 -13.352 1.00 32.13 H new ATOM 0 HD13 ILE A 37 -10.064 4.333 -14.968 1.00 32.13 H new ATOM 563 N PRO A 38 -8.436 9.535 -16.007 1.00 32.54 N ATOM 564 CA PRO A 38 -9.095 10.688 -16.596 1.00 63.45 C ATOM 565 C PRO A 38 -8.133 11.467 -17.496 1.00 15.41 C ATOM 566 O PRO A 38 -8.547 12.382 -18.207 1.00 71.33 O ATOM 567 CB PRO A 38 -9.595 11.502 -15.415 1.00 13.02 C ATOM 568 CG PRO A 38 -8.801 11.022 -14.211 1.00 64.12 C ATOM 569 CD PRO A 38 -8.111 9.723 -14.596 1.00 34.02 C ATOM 0 HA PRO A 38 -9.922 10.412 -17.250 1.00 63.45 H new ATOM 0 HB2 PRO A 38 -9.443 12.568 -15.583 1.00 13.02 H new ATOM 0 HB3 PRO A 38 -10.664 11.353 -15.263 1.00 13.02 H new ATOM 0 HG2 PRO A 38 -8.067 11.771 -13.915 1.00 64.12 H new ATOM 0 HG3 PRO A 38 -9.460 10.866 -13.357 1.00 64.12 H new ATOM 0 HD2 PRO A 38 -7.034 9.786 -14.443 1.00 34.02 H new ATOM 0 HD3 PRO A 38 -8.470 8.890 -13.992 1.00 34.02 H new ATOM 577 N ARG A 39 -6.869 11.077 -17.435 1.00 2.41 N ATOM 578 CA ARG A 39 -5.845 11.728 -18.235 1.00 54.41 C ATOM 579 C ARG A 39 -5.577 10.925 -19.509 1.00 53.25 C ATOM 580 O ARG A 39 -5.038 11.455 -20.480 1.00 14.42 O ATOM 581 CB ARG A 39 -4.541 11.874 -17.449 1.00 12.34 C ATOM 582 CG ARG A 39 -4.716 12.836 -16.271 1.00 65.04 C ATOM 583 CD ARG A 39 -3.499 12.795 -15.345 1.00 23.31 C ATOM 584 NE ARG A 39 -2.462 13.734 -15.828 1.00 53.03 N ATOM 585 CZ ARG A 39 -1.564 13.439 -16.792 1.00 40.41 C ATOM 586 NH1 ARG A 39 -1.568 12.226 -17.384 1.00 42.35 N ATOM 587 NH2 ARG A 39 -0.682 14.355 -17.146 1.00 42.14 N ATOM 0 H ARG A 39 -6.530 10.318 -16.844 1.00 2.41 H new ATOM 0 HA ARG A 39 -6.211 12.721 -18.497 1.00 54.41 H new ATOM 0 HB2 ARG A 39 -4.222 10.898 -17.082 1.00 12.34 H new ATOM 0 HB3 ARG A 39 -3.754 12.240 -18.108 1.00 12.34 H new ATOM 0 HG2 ARG A 39 -4.860 13.850 -16.643 1.00 65.04 H new ATOM 0 HG3 ARG A 39 -5.613 12.572 -15.711 1.00 65.04 H new ATOM 0 HD2 ARG A 39 -3.795 13.059 -14.330 1.00 23.31 H new ATOM 0 HD3 ARG A 39 -3.095 11.783 -15.306 1.00 23.31 H new ATOM 0 HE ARG A 39 -2.423 14.662 -15.406 1.00 53.03 H new ATOM 0 HH11 ARG A 39 -2.253 11.524 -17.104 1.00 42.35 H new ATOM 0 HH12 ARG A 39 -0.886 12.011 -18.112 1.00 42.35 H new ATOM 0 HH21 ARG A 39 -0.686 15.269 -16.693 1.00 42.14 H new ATOM 0 HH22 ARG A 39 0.004 14.149 -17.873 1.00 42.14 H new ATOM 600 N LEU A 40 -5.966 9.659 -19.466 1.00 2.33 N ATOM 601 CA LEU A 40 -5.774 8.778 -20.605 1.00 31.33 C ATOM 602 C LEU A 40 -6.933 8.961 -21.587 1.00 3.41 C ATOM 603 O LEU A 40 -6.800 8.660 -22.772 1.00 52.21 O ATOM 604 CB LEU A 40 -5.587 7.333 -20.138 1.00 65.33 C ATOM 605 CG LEU A 40 -4.349 7.060 -19.280 1.00 55.11 C ATOM 606 CD1 LEU A 40 -4.537 5.800 -18.433 1.00 65.34 C ATOM 607 CD2 LEU A 40 -3.088 6.989 -20.143 1.00 72.23 C ATOM 0 H LEU A 40 -6.413 9.223 -18.660 1.00 2.33 H new ATOM 0 HA LEU A 40 -4.860 9.038 -21.138 1.00 31.33 H new ATOM 0 HB2 LEU A 40 -6.470 7.038 -19.571 1.00 65.33 H new ATOM 0 HB3 LEU A 40 -5.544 6.691 -21.017 1.00 65.33 H new ATOM 0 HG LEU A 40 -4.220 7.895 -18.591 1.00 55.11 H new ATOM 0 HD11 LEU A 40 -3.643 5.628 -17.833 1.00 65.34 H new ATOM 0 HD12 LEU A 40 -5.397 5.929 -17.775 1.00 65.34 H new ATOM 0 HD13 LEU A 40 -4.705 4.944 -19.087 1.00 65.34 H new ATOM 0 HD21 LEU A 40 -2.223 6.794 -19.509 1.00 72.23 H new ATOM 0 HD22 LEU A 40 -3.191 6.186 -20.873 1.00 72.23 H new ATOM 0 HD23 LEU A 40 -2.950 7.937 -20.664 1.00 72.23 H new ATOM 619 N ILE A 41 -8.043 9.455 -21.058 1.00 24.14 N ATOM 620 CA ILE A 41 -9.224 9.682 -21.873 1.00 3.31 C ATOM 621 C ILE A 41 -8.866 10.615 -23.032 1.00 13.44 C ATOM 622 O ILE A 41 -8.185 11.621 -22.836 1.00 71.23 O ATOM 623 CB ILE A 41 -10.381 10.189 -21.010 1.00 20.02 C ATOM 624 CG1 ILE A 41 -10.600 9.281 -19.798 1.00 24.10 C ATOM 625 CG2 ILE A 41 -11.655 10.352 -21.842 1.00 21.45 C ATOM 626 CD1 ILE A 41 -12.038 9.386 -19.287 1.00 22.15 C ATOM 0 H ILE A 41 -8.149 9.704 -20.075 1.00 24.14 H new ATOM 0 HA ILE A 41 -9.570 8.746 -22.312 1.00 3.31 H new ATOM 0 HB ILE A 41 -10.117 11.176 -20.629 1.00 20.02 H new ATOM 0 HG12 ILE A 41 -10.381 8.248 -20.069 1.00 24.10 H new ATOM 0 HG13 ILE A 41 -9.907 9.556 -19.003 1.00 24.10 H new ATOM 0 HG21 ILE A 41 -12.462 10.713 -21.205 1.00 21.45 H new ATOM 0 HG22 ILE A 41 -11.477 11.069 -22.644 1.00 21.45 H new ATOM 0 HG23 ILE A 41 -11.935 9.390 -22.271 1.00 21.45 H new ATOM 0 HD11 ILE A 41 -12.167 8.731 -18.425 1.00 22.15 H new ATOM 0 HD12 ILE A 41 -12.246 10.415 -18.994 1.00 22.15 H new ATOM 0 HD13 ILE A 41 -12.727 9.087 -20.077 1.00 22.15 H new ATOM 638 N SER A 42 -9.342 10.249 -24.213 1.00 11.04 N ATOM 639 CA SER A 42 -9.081 11.041 -25.403 1.00 33.32 C ATOM 640 C SER A 42 -7.729 10.652 -26.004 1.00 71.10 C ATOM 641 O SER A 42 -7.404 11.052 -27.121 1.00 10.23 O ATOM 642 CB SER A 42 -9.111 12.537 -25.086 1.00 42.22 C ATOM 643 OG SER A 42 -9.520 13.313 -26.210 1.00 34.44 O ATOM 0 H SER A 42 -9.907 9.415 -24.371 1.00 11.04 H new ATOM 0 HA SER A 42 -9.867 10.836 -26.130 1.00 33.32 H new ATOM 0 HB2 SER A 42 -9.791 12.718 -24.254 1.00 42.22 H new ATOM 0 HB3 SER A 42 -8.121 12.859 -24.764 1.00 42.22 H new ATOM 0 HG SER A 42 -9.528 14.262 -25.967 1.00 34.44 H new ATOM 649 N MET A 43 -6.978 9.876 -25.237 1.00 5.34 N ATOM 650 CA MET A 43 -5.668 9.429 -25.679 1.00 61.04 C ATOM 651 C MET A 43 -5.729 7.996 -26.213 1.00 54.44 C ATOM 652 O MET A 43 -6.287 7.112 -25.565 1.00 40.04 O ATOM 653 CB MET A 43 -4.683 9.496 -24.510 1.00 51.45 C ATOM 654 CG MET A 43 -4.915 10.753 -23.670 1.00 15.44 C ATOM 655 SD MET A 43 -3.368 11.328 -22.990 1.00 33.33 S ATOM 656 CE MET A 43 -2.585 9.763 -22.638 1.00 4.05 C ATOM 0 H MET A 43 -7.252 9.545 -24.312 1.00 5.34 H new ATOM 0 HA MET A 43 -5.335 10.084 -26.484 1.00 61.04 H new ATOM 0 HB2 MET A 43 -4.795 8.610 -23.884 1.00 51.45 H new ATOM 0 HB3 MET A 43 -3.661 9.491 -24.890 1.00 51.45 H new ATOM 0 HG2 MET A 43 -5.364 11.533 -24.285 1.00 15.44 H new ATOM 0 HG3 MET A 43 -5.618 10.538 -22.865 1.00 15.44 H new ATOM 0 HE1 MET A 43 -1.946 9.865 -21.761 1.00 4.05 H new ATOM 0 HE2 MET A 43 -3.349 9.010 -22.445 1.00 4.05 H new ATOM 0 HE3 MET A 43 -1.982 9.457 -23.493 1.00 4.05 H new ATOM 666 N GLN A 44 -5.149 7.812 -27.390 1.00 4.01 N ATOM 667 CA GLN A 44 -5.130 6.502 -28.018 1.00 54.04 C ATOM 668 C GLN A 44 -3.896 5.716 -27.572 1.00 10.13 C ATOM 669 O GLN A 44 -2.901 6.303 -27.149 1.00 14.44 O ATOM 670 CB GLN A 44 -5.180 6.624 -29.543 1.00 14.44 C ATOM 671 CG GLN A 44 -6.201 7.679 -29.975 1.00 33.12 C ATOM 672 CD GLN A 44 -6.088 7.970 -31.473 1.00 2.45 C ATOM 673 OE1 GLN A 44 -5.755 9.066 -31.895 1.00 20.34 O ATOM 674 NE2 GLN A 44 -6.382 6.932 -32.250 1.00 31.14 N ATOM 0 H GLN A 44 -4.689 8.548 -27.925 1.00 4.01 H new ATOM 0 HA GLN A 44 -6.018 5.956 -27.700 1.00 54.04 H new ATOM 0 HB2 GLN A 44 -4.194 6.890 -29.923 1.00 14.44 H new ATOM 0 HB3 GLN A 44 -5.440 5.660 -29.980 1.00 14.44 H new ATOM 0 HG2 GLN A 44 -7.208 7.332 -29.743 1.00 33.12 H new ATOM 0 HG3 GLN A 44 -6.042 8.597 -29.409 1.00 33.12 H new ATOM 0 HE21 GLN A 44 -6.654 6.042 -31.831 1.00 31.14 H new ATOM 0 HE22 GLN A 44 -6.336 7.025 -33.265 1.00 31.14 H new ATOM 683 N VAL A 45 -4.000 4.400 -27.681 1.00 34.10 N ATOM 684 CA VAL A 45 -2.905 3.527 -27.294 1.00 1.54 C ATOM 685 C VAL A 45 -1.996 3.290 -28.501 1.00 73.24 C ATOM 686 O VAL A 45 -2.433 3.414 -29.645 1.00 24.42 O ATOM 687 CB VAL A 45 -3.455 2.231 -26.695 1.00 3.22 C ATOM 688 CG1 VAL A 45 -4.169 2.500 -25.369 1.00 74.30 C ATOM 689 CG2 VAL A 45 -4.381 1.521 -27.683 1.00 74.44 C ATOM 0 H VAL A 45 -4.827 3.917 -28.032 1.00 34.10 H new ATOM 0 HA VAL A 45 -2.299 3.996 -26.518 1.00 1.54 H new ATOM 0 HB VAL A 45 -2.612 1.570 -26.493 1.00 3.22 H new ATOM 0 HG11 VAL A 45 -4.550 1.562 -24.964 1.00 74.30 H new ATOM 0 HG12 VAL A 45 -3.468 2.942 -24.661 1.00 74.30 H new ATOM 0 HG13 VAL A 45 -4.998 3.188 -25.535 1.00 74.30 H new ATOM 0 HG21 VAL A 45 -4.758 0.603 -27.233 1.00 74.44 H new ATOM 0 HG22 VAL A 45 -5.218 2.174 -27.931 1.00 74.44 H new ATOM 0 HG23 VAL A 45 -3.828 1.279 -28.591 1.00 74.44 H new ATOM 699 N ASN A 46 -0.749 2.953 -28.206 1.00 74.34 N ATOM 700 CA ASN A 46 0.224 2.697 -29.254 1.00 64.40 C ATOM 701 C ASN A 46 0.512 1.195 -29.321 1.00 53.33 C ATOM 702 O ASN A 46 1.623 0.787 -29.653 1.00 24.41 O ATOM 703 CB ASN A 46 1.543 3.418 -28.968 1.00 60.15 C ATOM 704 CG ASN A 46 2.213 2.859 -27.711 1.00 53.14 C ATOM 705 OD1 ASN A 46 2.384 1.662 -27.548 1.00 11.34 O ATOM 706 ND2 ASN A 46 2.581 3.790 -26.835 1.00 74.34 N ATOM 0 H ASN A 46 -0.390 2.851 -27.257 1.00 74.34 H new ATOM 0 HA ASN A 46 -0.190 3.060 -30.195 1.00 64.40 H new ATOM 0 HB2 ASN A 46 2.213 3.309 -29.821 1.00 60.15 H new ATOM 0 HB3 ASN A 46 1.358 4.485 -28.842 1.00 60.15 H new ATOM 0 HD21 ASN A 46 3.037 3.519 -25.964 1.00 74.34 H new ATOM 0 HD22 ASN A 46 2.408 4.775 -27.035 1.00 74.34 H new ATOM 713 N GLN A 47 -0.510 0.415 -29.001 1.00 71.24 N ATOM 714 CA GLN A 47 -0.381 -1.032 -29.021 1.00 73.44 C ATOM 715 C GLN A 47 -1.711 -1.689 -28.645 1.00 10.23 C ATOM 716 O GLN A 47 -2.543 -1.075 -27.979 1.00 35.33 O ATOM 717 CB GLN A 47 0.742 -1.496 -28.091 1.00 53.25 C ATOM 718 CG GLN A 47 0.581 -2.974 -27.732 1.00 33.24 C ATOM 719 CD GLN A 47 1.775 -3.473 -26.916 1.00 64.34 C ATOM 720 OE1 GLN A 47 2.363 -4.505 -27.196 1.00 32.52 O ATOM 721 NE2 GLN A 47 2.101 -2.685 -25.896 1.00 30.23 N ATOM 0 H GLN A 47 -1.431 0.758 -28.727 1.00 71.24 H new ATOM 0 HA GLN A 47 -0.120 -1.340 -30.034 1.00 73.44 H new ATOM 0 HB2 GLN A 47 1.707 -1.338 -28.573 1.00 53.25 H new ATOM 0 HB3 GLN A 47 0.738 -0.895 -27.182 1.00 53.25 H new ATOM 0 HG2 GLN A 47 -0.338 -3.116 -27.163 1.00 33.24 H new ATOM 0 HG3 GLN A 47 0.486 -3.565 -28.643 1.00 33.24 H new ATOM 0 HE21 GLN A 47 1.567 -1.835 -25.717 1.00 30.23 H new ATOM 0 HE22 GLN A 47 2.886 -2.931 -25.292 1.00 30.23 H new ATOM 730 N VAL A 48 -1.869 -2.928 -29.087 1.00 52.43 N ATOM 731 CA VAL A 48 -3.084 -3.674 -28.805 1.00 5.11 C ATOM 732 C VAL A 48 -3.037 -4.190 -27.365 1.00 43.13 C ATOM 733 O VAL A 48 -2.358 -5.174 -27.077 1.00 5.14 O ATOM 734 CB VAL A 48 -3.263 -4.791 -29.835 1.00 23.01 C ATOM 735 CG1 VAL A 48 -4.097 -5.938 -29.260 1.00 41.34 C ATOM 736 CG2 VAL A 48 -3.885 -4.253 -31.125 1.00 1.22 C ATOM 0 H VAL A 48 -1.176 -3.434 -29.638 1.00 52.43 H new ATOM 0 HA VAL A 48 -3.958 -3.028 -28.891 1.00 5.11 H new ATOM 0 HB VAL A 48 -2.276 -5.184 -30.078 1.00 23.01 H new ATOM 0 HG11 VAL A 48 -4.209 -6.719 -30.012 1.00 41.34 H new ATOM 0 HG12 VAL A 48 -3.596 -6.348 -28.383 1.00 41.34 H new ATOM 0 HG13 VAL A 48 -5.081 -5.565 -28.974 1.00 41.34 H new ATOM 0 HG21 VAL A 48 -4.001 -5.067 -31.840 1.00 1.22 H new ATOM 0 HG22 VAL A 48 -4.861 -3.821 -30.905 1.00 1.22 H new ATOM 0 HG23 VAL A 48 -3.236 -3.487 -31.550 1.00 1.22 H new ATOM 746 N VAL A 49 -3.768 -3.502 -26.500 1.00 64.40 N ATOM 747 CA VAL A 49 -3.818 -3.879 -25.098 1.00 0.15 C ATOM 748 C VAL A 49 -5.049 -4.753 -24.853 1.00 34.34 C ATOM 749 O VAL A 49 -6.181 -4.291 -24.991 1.00 22.12 O ATOM 750 CB VAL A 49 -3.789 -2.627 -24.218 1.00 72.03 C ATOM 751 CG1 VAL A 49 -3.918 -2.993 -22.738 1.00 71.44 C ATOM 752 CG2 VAL A 49 -2.522 -1.808 -24.472 1.00 53.22 C ATOM 0 H VAL A 49 -4.330 -2.686 -26.743 1.00 64.40 H new ATOM 0 HA VAL A 49 -2.942 -4.469 -24.830 1.00 0.15 H new ATOM 0 HB VAL A 49 -4.647 -2.010 -24.486 1.00 72.03 H new ATOM 0 HG11 VAL A 49 -3.894 -2.085 -22.135 1.00 71.44 H new ATOM 0 HG12 VAL A 49 -4.861 -3.514 -22.573 1.00 71.44 H new ATOM 0 HG13 VAL A 49 -3.090 -3.641 -22.450 1.00 71.44 H new ATOM 0 HG21 VAL A 49 -2.526 -0.924 -23.834 1.00 53.22 H new ATOM 0 HG22 VAL A 49 -1.645 -2.415 -24.246 1.00 53.22 H new ATOM 0 HG23 VAL A 49 -2.491 -1.501 -25.517 1.00 53.22 H new ATOM 762 N PRO A 50 -4.780 -6.034 -24.484 1.00 35.43 N ATOM 763 CA PRO A 50 -5.853 -6.978 -24.218 1.00 53.43 C ATOM 764 C PRO A 50 -6.514 -6.691 -22.868 1.00 50.04 C ATOM 765 O PRO A 50 -5.830 -6.404 -21.887 1.00 52.31 O ATOM 766 CB PRO A 50 -5.197 -8.347 -24.280 1.00 30.34 C ATOM 767 CG PRO A 50 -3.706 -8.103 -24.115 1.00 42.30 C ATOM 768 CD PRO A 50 -3.453 -6.617 -24.310 1.00 41.32 C ATOM 0 HA PRO A 50 -6.665 -6.907 -24.942 1.00 53.43 H new ATOM 0 HB2 PRO A 50 -5.576 -8.998 -23.492 1.00 30.34 H new ATOM 0 HB3 PRO A 50 -5.409 -8.839 -25.229 1.00 30.34 H new ATOM 0 HG2 PRO A 50 -3.374 -8.420 -23.126 1.00 42.30 H new ATOM 0 HG3 PRO A 50 -3.141 -8.685 -24.843 1.00 42.30 H new ATOM 0 HD2 PRO A 50 -2.941 -6.186 -23.449 1.00 41.32 H new ATOM 0 HD3 PRO A 50 -2.823 -6.434 -25.180 1.00 41.32 H new ATOM 776 N MET A 51 -7.836 -6.779 -22.862 1.00 60.21 N ATOM 777 CA MET A 51 -8.597 -6.533 -21.649 1.00 23.12 C ATOM 778 C MET A 51 -7.939 -7.207 -20.443 1.00 4.31 C ATOM 779 O MET A 51 -7.777 -8.426 -20.420 1.00 41.20 O ATOM 780 CB MET A 51 -10.019 -7.070 -21.820 1.00 52.33 C ATOM 781 CG MET A 51 -10.830 -6.893 -20.535 1.00 55.21 C ATOM 782 SD MET A 51 -12.244 -7.983 -20.550 1.00 42.15 S ATOM 783 CE MET A 51 -12.630 -7.965 -22.293 1.00 53.21 C ATOM 0 H MET A 51 -8.400 -7.017 -23.678 1.00 60.21 H new ATOM 0 HA MET A 51 -8.624 -5.458 -21.472 1.00 23.12 H new ATOM 0 HB2 MET A 51 -10.512 -6.549 -22.640 1.00 52.33 H new ATOM 0 HB3 MET A 51 -9.983 -8.126 -22.089 1.00 52.33 H new ATOM 0 HG2 MET A 51 -10.205 -7.107 -19.668 1.00 55.21 H new ATOM 0 HG3 MET A 51 -11.159 -5.858 -20.443 1.00 55.21 H new ATOM 0 HE1 MET A 51 -13.616 -8.403 -22.452 1.00 53.21 H new ATOM 0 HE2 MET A 51 -12.626 -6.937 -22.656 1.00 53.21 H new ATOM 0 HE3 MET A 51 -11.884 -8.544 -22.837 1.00 53.21 H new ATOM 793 N GLY A 52 -7.577 -6.383 -19.470 1.00 21.31 N ATOM 794 CA GLY A 52 -6.940 -6.884 -18.264 1.00 31.23 C ATOM 795 C GLY A 52 -5.439 -6.589 -18.273 1.00 62.33 C ATOM 796 O GLY A 52 -4.748 -6.837 -17.286 1.00 44.14 O ATOM 0 H GLY A 52 -7.713 -5.372 -19.493 1.00 21.31 H new ATOM 0 HA2 GLY A 52 -7.399 -6.425 -17.388 1.00 31.23 H new ATOM 0 HA3 GLY A 52 -7.102 -7.959 -18.182 1.00 31.23 H new ATOM 800 N THR A 53 -4.978 -6.065 -19.399 1.00 54.34 N ATOM 801 CA THR A 53 -3.572 -5.733 -19.551 1.00 23.54 C ATOM 802 C THR A 53 -3.281 -4.356 -18.951 1.00 62.14 C ATOM 803 O THR A 53 -3.824 -3.350 -19.405 1.00 72.44 O ATOM 804 CB THR A 53 -3.219 -5.837 -21.036 1.00 25.14 C ATOM 805 OG1 THR A 53 -3.176 -7.239 -21.285 1.00 64.33 O ATOM 806 CG2 THR A 53 -1.795 -5.362 -21.333 1.00 40.15 C ATOM 0 H THR A 53 -5.554 -5.862 -20.216 1.00 54.34 H new ATOM 0 HA THR A 53 -2.939 -6.431 -19.003 1.00 23.54 H new ATOM 0 HB THR A 53 -3.927 -5.249 -21.620 1.00 25.14 H new ATOM 0 HG1 THR A 53 -4.074 -7.558 -21.514 1.00 64.33 H new ATOM 0 HG21 THR A 53 -1.595 -5.456 -22.400 1.00 40.15 H new ATOM 0 HG22 THR A 53 -1.690 -4.319 -21.035 1.00 40.15 H new ATOM 0 HG23 THR A 53 -1.084 -5.972 -20.775 1.00 40.15 H new ATOM 814 N THR A 54 -2.424 -4.355 -17.941 1.00 12.13 N ATOM 815 CA THR A 54 -2.054 -3.118 -17.275 1.00 14.54 C ATOM 816 C THR A 54 -1.648 -2.060 -18.302 1.00 41.53 C ATOM 817 O THR A 54 -0.923 -2.356 -19.251 1.00 20.44 O ATOM 818 CB THR A 54 -0.952 -3.437 -16.262 1.00 54.55 C ATOM 819 OG1 THR A 54 -1.398 -4.633 -15.630 1.00 64.42 O ATOM 820 CG2 THR A 54 -0.889 -2.416 -15.125 1.00 1.53 C ATOM 0 H THR A 54 -1.975 -5.191 -17.568 1.00 12.13 H new ATOM 0 HA THR A 54 -2.899 -2.692 -16.734 1.00 14.54 H new ATOM 0 HB THR A 54 0.011 -3.472 -16.772 1.00 54.55 H new ATOM 0 HG1 THR A 54 -0.637 -5.084 -15.209 1.00 64.42 H new ATOM 0 HG21 THR A 54 -0.091 -2.689 -14.435 1.00 1.53 H new ATOM 0 HG22 THR A 54 -0.691 -1.426 -15.536 1.00 1.53 H new ATOM 0 HG23 THR A 54 -1.840 -2.404 -14.593 1.00 1.53 H new ATOM 828 N LEU A 55 -2.133 -0.847 -18.079 1.00 4.10 N ATOM 829 CA LEU A 55 -1.829 0.257 -18.974 1.00 22.02 C ATOM 830 C LEU A 55 -0.488 0.877 -18.575 1.00 12.23 C ATOM 831 O LEU A 55 -0.266 1.185 -17.405 1.00 32.54 O ATOM 832 CB LEU A 55 -2.986 1.258 -19.002 1.00 5.03 C ATOM 833 CG LEU A 55 -3.073 2.147 -20.244 1.00 0.54 C ATOM 834 CD1 LEU A 55 -2.788 1.345 -21.514 1.00 62.52 C ATOM 835 CD2 LEU A 55 -4.423 2.865 -20.310 1.00 5.31 C ATOM 0 H LEU A 55 -2.734 -0.605 -17.292 1.00 4.10 H new ATOM 0 HA LEU A 55 -1.723 -0.101 -19.998 1.00 22.02 H new ATOM 0 HB2 LEU A 55 -3.921 0.705 -18.909 1.00 5.03 H new ATOM 0 HB3 LEU A 55 -2.906 1.900 -18.125 1.00 5.03 H new ATOM 0 HG LEU A 55 -2.303 2.915 -20.169 1.00 0.54 H new ATOM 0 HD11 LEU A 55 -2.856 2.001 -22.382 1.00 62.52 H new ATOM 0 HD12 LEU A 55 -1.786 0.920 -21.459 1.00 62.52 H new ATOM 0 HD13 LEU A 55 -3.518 0.541 -21.608 1.00 62.52 H new ATOM 0 HD21 LEU A 55 -4.459 3.490 -21.202 1.00 5.31 H new ATOM 0 HD22 LEU A 55 -5.225 2.128 -20.351 1.00 5.31 H new ATOM 0 HD23 LEU A 55 -4.547 3.488 -19.425 1.00 5.31 H new ATOM 847 N MET A 56 0.371 1.043 -19.570 1.00 75.40 N ATOM 848 CA MET A 56 1.683 1.621 -19.338 1.00 22.45 C ATOM 849 C MET A 56 1.766 3.039 -19.904 1.00 51.45 C ATOM 850 O MET A 56 0.961 3.421 -20.753 1.00 31.34 O ATOM 851 CB MET A 56 2.751 0.745 -19.996 1.00 32.51 C ATOM 852 CG MET A 56 2.989 -0.531 -19.185 1.00 65.14 C ATOM 853 SD MET A 56 4.327 -0.279 -18.030 1.00 75.21 S ATOM 854 CE MET A 56 3.435 -0.415 -16.490 1.00 12.23 C ATOM 0 H MET A 56 0.183 0.787 -20.539 1.00 75.40 H new ATOM 0 HA MET A 56 1.852 1.669 -18.262 1.00 22.45 H new ATOM 0 HB2 MET A 56 2.440 0.485 -21.008 1.00 32.51 H new ATOM 0 HB3 MET A 56 3.683 1.304 -20.083 1.00 32.51 H new ATOM 0 HG2 MET A 56 2.081 -0.805 -18.648 1.00 65.14 H new ATOM 0 HG3 MET A 56 3.226 -1.358 -19.854 1.00 65.14 H new ATOM 0 HE1 MET A 56 4.075 -0.092 -15.669 1.00 12.23 H new ATOM 0 HE2 MET A 56 2.546 0.215 -16.527 1.00 12.23 H new ATOM 0 HE3 MET A 56 3.138 -1.452 -16.332 1.00 12.23 H new ATOM 864 N PRO A 57 2.773 3.802 -19.400 1.00 54.11 N ATOM 865 CA PRO A 57 2.971 5.170 -19.847 1.00 51.31 C ATOM 866 C PRO A 57 3.597 5.206 -21.243 1.00 32.12 C ATOM 867 O PRO A 57 3.473 6.200 -21.957 1.00 63.42 O ATOM 868 CB PRO A 57 3.852 5.807 -18.785 1.00 13.53 C ATOM 869 CG PRO A 57 4.494 4.655 -18.030 1.00 11.14 C ATOM 870 CD PRO A 57 3.745 3.384 -18.395 1.00 30.25 C ATOM 0 HA PRO A 57 2.035 5.718 -19.951 1.00 51.31 H new ATOM 0 HB2 PRO A 57 4.609 6.447 -19.238 1.00 13.53 H new ATOM 0 HB3 PRO A 57 3.264 6.434 -18.115 1.00 13.53 H new ATOM 0 HG2 PRO A 57 5.548 4.566 -18.293 1.00 11.14 H new ATOM 0 HG3 PRO A 57 4.448 4.830 -16.955 1.00 11.14 H new ATOM 0 HD2 PRO A 57 4.421 2.625 -18.790 1.00 30.25 H new ATOM 0 HD3 PRO A 57 3.253 2.951 -17.524 1.00 30.25 H new ATOM 878 N ASP A 58 4.255 4.109 -21.589 1.00 52.55 N ATOM 879 CA ASP A 58 4.900 4.003 -22.887 1.00 60.40 C ATOM 880 C ASP A 58 3.988 3.231 -23.843 1.00 42.22 C ATOM 881 O ASP A 58 4.390 2.900 -24.958 1.00 34.34 O ATOM 882 CB ASP A 58 6.225 3.245 -22.783 1.00 31.34 C ATOM 883 CG ASP A 58 7.475 4.091 -23.028 1.00 43.44 C ATOM 884 OD1 ASP A 58 7.467 5.315 -22.830 1.00 51.52 O ATOM 885 OD2 ASP A 58 8.504 3.435 -23.447 1.00 3.42 O ATOM 0 H ASP A 58 4.355 3.287 -20.994 1.00 52.55 H new ATOM 0 HA ASP A 58 5.089 5.012 -23.253 1.00 60.40 H new ATOM 0 HB2 ASP A 58 6.295 2.800 -21.790 1.00 31.34 H new ATOM 0 HB3 ASP A 58 6.214 2.424 -23.500 1.00 31.34 H new ATOM 891 N MET A 59 2.778 2.968 -23.373 1.00 20.34 N ATOM 892 CA MET A 59 1.806 2.241 -24.172 1.00 11.52 C ATOM 893 C MET A 59 0.627 3.140 -24.551 1.00 41.04 C ATOM 894 O MET A 59 -0.436 2.649 -24.929 1.00 44.34 O ATOM 895 CB MET A 59 1.295 1.035 -23.382 1.00 73.11 C ATOM 896 CG MET A 59 2.249 -0.154 -23.518 1.00 53.43 C ATOM 897 SD MET A 59 1.377 -1.676 -23.190 1.00 64.52 S ATOM 898 CE MET A 59 0.371 -1.166 -21.807 1.00 22.10 C ATOM 0 H MET A 59 2.448 3.245 -22.449 1.00 20.34 H new ATOM 0 HA MET A 59 2.293 1.906 -25.088 1.00 11.52 H new ATOM 0 HB2 MET A 59 1.189 1.303 -22.331 1.00 73.11 H new ATOM 0 HB3 MET A 59 0.305 0.754 -23.740 1.00 73.11 H new ATOM 0 HG2 MET A 59 2.673 -0.177 -24.522 1.00 53.43 H new ATOM 0 HG3 MET A 59 3.081 -0.045 -22.822 1.00 53.43 H new ATOM 0 HE1 MET A 59 -0.341 -1.955 -21.565 1.00 22.10 H new ATOM 0 HE2 MET A 59 1.009 -0.975 -20.944 1.00 22.10 H new ATOM 0 HE3 MET A 59 -0.170 -0.256 -22.067 1.00 22.10 H new ATOM 908 N VAL A 60 0.855 4.440 -24.438 1.00 12.34 N ATOM 909 CA VAL A 60 -0.175 5.412 -24.764 1.00 72.21 C ATOM 910 C VAL A 60 0.453 6.575 -25.534 1.00 1.55 C ATOM 911 O VAL A 60 1.520 7.064 -25.165 1.00 13.54 O ATOM 912 CB VAL A 60 -0.897 5.857 -23.491 1.00 2.44 C ATOM 913 CG1 VAL A 60 -2.022 6.842 -23.814 1.00 50.32 C ATOM 914 CG2 VAL A 60 -1.429 4.653 -22.712 1.00 73.21 C ATOM 0 H VAL A 60 1.738 4.843 -24.125 1.00 12.34 H new ATOM 0 HA VAL A 60 -0.931 4.965 -25.410 1.00 72.21 H new ATOM 0 HB VAL A 60 -0.173 6.371 -22.859 1.00 2.44 H new ATOM 0 HG11 VAL A 60 -2.519 7.142 -22.891 1.00 50.32 H new ATOM 0 HG12 VAL A 60 -1.606 7.722 -24.305 1.00 50.32 H new ATOM 0 HG13 VAL A 60 -2.744 6.365 -24.476 1.00 50.32 H new ATOM 0 HG21 VAL A 60 -1.938 4.998 -21.812 1.00 73.21 H new ATOM 0 HG22 VAL A 60 -2.130 4.098 -23.335 1.00 73.21 H new ATOM 0 HG23 VAL A 60 -0.599 4.004 -22.433 1.00 73.21 H new ATOM 924 N LYS A 61 -0.235 6.985 -26.589 1.00 11.31 N ATOM 925 CA LYS A 61 0.242 8.082 -27.414 1.00 1.44 C ATOM 926 C LYS A 61 -0.221 9.409 -26.808 1.00 73.11 C ATOM 927 O LYS A 61 -1.281 9.475 -26.187 1.00 50.33 O ATOM 928 CB LYS A 61 -0.189 7.886 -28.868 1.00 55.33 C ATOM 929 CG LYS A 61 0.385 6.589 -29.440 1.00 72.44 C ATOM 930 CD LYS A 61 0.337 6.595 -30.970 1.00 3.33 C ATOM 931 CE LYS A 61 -0.598 5.503 -31.494 1.00 4.41 C ATOM 932 NZ LYS A 61 0.181 4.411 -32.120 1.00 12.15 N ATOM 0 H LYS A 61 -1.120 6.577 -26.892 1.00 11.31 H new ATOM 0 HA LYS A 61 1.332 8.101 -27.429 1.00 1.44 H new ATOM 0 HB2 LYS A 61 -1.277 7.864 -28.929 1.00 55.33 H new ATOM 0 HB3 LYS A 61 0.147 8.732 -29.468 1.00 55.33 H new ATOM 0 HG2 LYS A 61 1.415 6.464 -29.106 1.00 72.44 H new ATOM 0 HG3 LYS A 61 -0.179 5.738 -29.058 1.00 72.44 H new ATOM 0 HD2 LYS A 61 -0.002 7.569 -31.323 1.00 3.33 H new ATOM 0 HD3 LYS A 61 1.340 6.443 -31.369 1.00 3.33 H new ATOM 0 HE2 LYS A 61 -1.199 5.106 -30.675 1.00 4.41 H new ATOM 0 HE3 LYS A 61 -1.291 5.927 -32.221 1.00 4.41 H new ATOM 0 HZ1 LYS A 61 -0.443 3.843 -32.728 1.00 12.15 H new ATOM 0 HZ2 LYS A 61 0.948 4.816 -32.694 1.00 12.15 H new ATOM 0 HZ3 LYS A 61 0.587 3.805 -31.379 1.00 12.15 H new ATOM 945 N GLY A 62 0.596 10.432 -27.010 1.00 54.21 N ATOM 946 CA GLY A 62 0.283 11.753 -26.492 1.00 13.22 C ATOM 947 C GLY A 62 0.110 11.719 -24.972 1.00 3.21 C ATOM 948 O GLY A 62 -0.430 12.655 -24.384 1.00 24.12 O ATOM 0 H GLY A 62 1.474 10.373 -27.525 1.00 54.21 H new ATOM 0 HA2 GLY A 62 1.079 12.449 -26.755 1.00 13.22 H new ATOM 0 HA3 GLY A 62 -0.631 12.123 -26.957 1.00 13.22 H new ATOM 952 N TYR A 63 0.579 10.631 -24.379 1.00 61.24 N ATOM 953 CA TYR A 63 0.484 10.463 -22.939 1.00 74.43 C ATOM 954 C TYR A 63 1.627 11.187 -22.226 1.00 32.04 C ATOM 955 O TYR A 63 2.542 11.696 -22.870 1.00 42.13 O ATOM 956 CB TYR A 63 0.608 8.960 -22.681 1.00 61.32 C ATOM 957 CG TYR A 63 0.883 8.600 -21.220 1.00 2.12 C ATOM 958 CD1 TYR A 63 2.180 8.577 -20.747 1.00 74.11 C ATOM 959 CD2 TYR A 63 -0.165 8.299 -20.374 1.00 71.21 C ATOM 960 CE1 TYR A 63 2.439 8.238 -19.372 1.00 14.43 C ATOM 961 CE2 TYR A 63 0.094 7.960 -18.999 1.00 11.24 C ATOM 962 CZ TYR A 63 1.383 7.947 -18.565 1.00 71.33 C ATOM 963 OH TYR A 63 1.627 7.627 -17.266 1.00 45.02 O ATOM 0 H TYR A 63 1.026 9.857 -24.870 1.00 61.24 H new ATOM 0 HA TYR A 63 -0.453 10.875 -22.565 1.00 74.43 H new ATOM 0 HB2 TYR A 63 -0.313 8.470 -22.998 1.00 61.32 H new ATOM 0 HB3 TYR A 63 1.411 8.561 -23.300 1.00 61.32 H new ATOM 0 HD1 TYR A 63 3.000 8.813 -21.409 1.00 74.11 H new ATOM 0 HD2 TYR A 63 -1.180 8.318 -20.744 1.00 71.21 H new ATOM 0 HE1 TYR A 63 3.449 8.215 -18.990 1.00 14.43 H new ATOM 0 HE2 TYR A 63 -0.717 7.721 -18.327 1.00 11.24 H new ATOM 0 HH TYR A 63 0.779 7.444 -16.809 1.00 45.02 H new ATOM 973 N ALA A 64 1.536 11.210 -20.904 1.00 4.00 N ATOM 974 CA ALA A 64 2.552 11.864 -20.096 1.00 32.43 C ATOM 975 C ALA A 64 2.074 11.935 -18.644 1.00 52.31 C ATOM 976 O ALA A 64 0.874 12.009 -18.385 1.00 33.01 O ATOM 977 CB ALA A 64 2.857 13.245 -20.678 1.00 12.20 C ATOM 0 H ALA A 64 0.775 10.787 -20.373 1.00 4.00 H new ATOM 0 HA ALA A 64 3.480 11.293 -20.110 1.00 32.43 H new ATOM 0 HB1 ALA A 64 3.619 13.735 -20.072 1.00 12.20 H new ATOM 0 HB2 ALA A 64 3.220 13.137 -21.700 1.00 12.20 H new ATOM 0 HB3 ALA A 64 1.949 13.849 -20.678 1.00 12.20 H new ATOM 983 N PRO A 65 3.063 11.910 -17.711 1.00 41.53 N ATOM 984 CA PRO A 65 2.756 11.972 -16.292 1.00 72.25 C ATOM 985 C PRO A 65 2.354 13.389 -15.879 1.00 42.12 C ATOM 986 O PRO A 65 2.255 14.280 -16.721 1.00 11.50 O ATOM 987 CB PRO A 65 4.016 11.484 -15.596 1.00 15.24 C ATOM 988 CG PRO A 65 5.133 11.610 -16.618 1.00 50.14 C ATOM 989 CD PRO A 65 4.495 11.824 -17.981 1.00 63.35 C ATOM 0 HA PRO A 65 1.901 11.353 -16.019 1.00 72.25 H new ATOM 0 HB2 PRO A 65 4.229 12.082 -14.710 1.00 15.24 H new ATOM 0 HB3 PRO A 65 3.904 10.451 -15.265 1.00 15.24 H new ATOM 0 HG2 PRO A 65 5.787 12.445 -16.367 1.00 50.14 H new ATOM 0 HG3 PRO A 65 5.750 10.711 -16.622 1.00 50.14 H new ATOM 0 HD2 PRO A 65 4.864 12.735 -18.452 1.00 63.35 H new ATOM 0 HD3 PRO A 65 4.721 11.000 -18.658 1.00 63.35 H new