USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 765 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 31 MET CE :methyl -160:sc= -0.141 (180deg=-0.709) USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.107 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=-0.41) USER MOD Single : A 4 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.19) USER MOD Single : A 5 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.0085) USER MOD Single : A 6 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.074) USER MOD Single : A 7 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.026) USER MOD Single : A 8 HIS : no HD1:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0169 (180deg=-0.154) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.805 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.084 K(o=-0.084,f=-0.65) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -150:sc= -1.5! USER MOD Single : A 61 GLN : amide:sc= -0.952 K(o=-0.95,f=-7.3!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.139) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00614) USER MOD Single : A 79 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.72) USER MOD Single : A 80 ASN : amide:sc= -1.82 K(o=-1.8,f=-7.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= 0.902 (180deg=0.00717!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.987 -21.138 27.431 1.00 10.33 N ATOM 2 CA MET A 1 39.935 -21.853 26.533 1.00 42.45 C ATOM 3 C MET A 1 39.479 -23.299 26.274 1.00 71.21 C ATOM 4 O MET A 1 39.044 -23.996 27.191 1.00 62.52 O ATOM 5 CB MET A 1 41.350 -21.855 27.138 1.00 22.52 C ATOM 6 CG MET A 1 42.386 -22.583 26.286 1.00 32.21 C ATOM 7 SD MET A 1 44.033 -22.575 27.022 1.00 71.33 S ATOM 8 CE MET A 1 44.401 -20.820 27.038 1.00 63.31 C ATOM 0 H1 MET A 1 39.322 -20.166 27.586 1.00 10.33 H new ATOM 0 H2 MET A 1 38.045 -21.113 26.992 1.00 10.33 H new ATOM 0 H3 MET A 1 38.931 -21.635 28.343 1.00 10.33 H new ATOM 0 HA MET A 1 39.951 -21.323 25.581 1.00 42.45 H new ATOM 0 HB2 MET A 1 41.674 -20.824 27.284 1.00 22.52 H new ATOM 0 HB3 MET A 1 41.313 -22.320 28.123 1.00 22.52 H new ATOM 0 HG2 MET A 1 42.066 -23.614 26.136 1.00 32.21 H new ATOM 0 HG3 MET A 1 42.431 -22.117 25.302 1.00 32.21 H new ATOM 0 HE1 MET A 1 45.477 -20.675 27.139 1.00 63.31 H new ATOM 0 HE2 MET A 1 44.060 -20.368 26.107 1.00 63.31 H new ATOM 0 HE3 MET A 1 43.891 -20.349 27.878 1.00 63.31 H new ATOM 20 N GLY A 2 39.576 -23.740 25.018 1.00 0.31 N ATOM 21 CA GLY A 2 39.274 -25.128 24.679 1.00 73.51 C ATOM 22 C GLY A 2 37.890 -25.331 24.068 1.00 64.15 C ATOM 23 O GLY A 2 37.500 -24.629 23.131 1.00 4.55 O ATOM 0 H GLY A 2 39.859 -23.161 24.227 1.00 0.31 H new ATOM 0 HA2 GLY A 2 40.026 -25.492 23.979 1.00 73.51 H new ATOM 0 HA3 GLY A 2 39.355 -25.737 25.579 1.00 73.51 H new ATOM 27 N HIS A 3 37.141 -26.289 24.607 1.00 14.21 N ATOM 28 CA HIS A 3 35.843 -26.683 24.040 1.00 62.45 C ATOM 29 C HIS A 3 34.661 -26.119 24.846 1.00 71.43 C ATOM 30 O HIS A 3 34.621 -26.226 26.074 1.00 54.33 O ATOM 31 CB HIS A 3 35.745 -28.215 23.965 1.00 25.42 C ATOM 32 CG HIS A 3 35.961 -28.902 25.283 1.00 52.13 C ATOM 33 ND1 HIS A 3 37.205 -29.277 25.733 1.00 45.21 N ATOM 34 CD2 HIS A 3 35.088 -29.272 26.251 1.00 20.20 C ATOM 35 CE1 HIS A 3 37.094 -29.843 26.917 1.00 33.02 C ATOM 36 NE2 HIS A 3 35.823 -29.853 27.254 1.00 41.53 N ATOM 0 H HIS A 3 37.408 -26.813 25.441 1.00 14.21 H new ATOM 0 HA HIS A 3 35.784 -26.261 23.037 1.00 62.45 H new ATOM 0 HB2 HIS A 3 34.763 -28.488 23.580 1.00 25.42 H new ATOM 0 HB3 HIS A 3 36.481 -28.582 23.250 1.00 25.42 H new ATOM 0 HD2 HIS A 3 34.017 -29.136 26.236 1.00 20.20 H new ATOM 0 HE1 HIS A 3 37.908 -30.233 27.510 1.00 33.02 H new ATOM 0 HE2 HIS A 3 35.444 -30.232 28.122 1.00 41.53 H new ATOM 45 N HIS A 4 33.699 -25.529 24.144 1.00 75.42 N ATOM 46 CA HIS A 4 32.475 -25.019 24.770 1.00 35.11 C ATOM 47 C HIS A 4 31.278 -25.932 24.460 1.00 42.33 C ATOM 48 O HIS A 4 31.387 -26.864 23.663 1.00 23.32 O ATOM 49 CB HIS A 4 32.192 -23.585 24.300 1.00 21.52 C ATOM 50 CG HIS A 4 31.970 -23.461 22.818 1.00 73.23 C ATOM 51 ND1 HIS A 4 32.993 -23.263 21.920 1.00 20.13 N ATOM 52 CD2 HIS A 4 30.833 -23.507 22.081 1.00 33.44 C ATOM 53 CE1 HIS A 4 32.502 -23.195 20.700 1.00 74.33 C ATOM 54 NE2 HIS A 4 31.193 -23.341 20.767 1.00 15.21 N ATOM 0 H HIS A 4 33.740 -25.390 23.134 1.00 75.42 H new ATOM 0 HA HIS A 4 32.623 -25.010 25.850 1.00 35.11 H new ATOM 0 HB2 HIS A 4 31.312 -23.209 24.822 1.00 21.52 H new ATOM 0 HB3 HIS A 4 33.029 -22.948 24.587 1.00 21.52 H new ATOM 0 HD2 HIS A 4 29.831 -23.648 22.458 1.00 33.44 H new ATOM 0 HE1 HIS A 4 33.075 -23.045 19.797 1.00 74.33 H new ATOM 0 HE2 HIS A 4 30.553 -23.332 19.973 1.00 15.21 H new ATOM 63 N HIS A 5 30.137 -25.672 25.097 1.00 11.03 N ATOM 64 CA HIS A 5 28.913 -26.443 24.831 1.00 4.23 C ATOM 65 C HIS A 5 27.807 -25.562 24.223 1.00 62.23 C ATOM 66 O HIS A 5 27.260 -24.681 24.886 1.00 31.33 O ATOM 67 CB HIS A 5 28.425 -27.143 26.114 1.00 3.51 C ATOM 68 CG HIS A 5 28.330 -26.255 27.324 1.00 32.22 C ATOM 69 ND1 HIS A 5 29.318 -26.185 28.285 1.00 11.00 N ATOM 70 CD2 HIS A 5 27.345 -25.426 27.747 1.00 41.12 C ATOM 71 CE1 HIS A 5 28.946 -25.354 29.239 1.00 34.34 C ATOM 72 NE2 HIS A 5 27.756 -24.882 28.938 1.00 14.50 N ATOM 0 H HIS A 5 30.030 -24.939 25.798 1.00 11.03 H new ATOM 0 HA HIS A 5 29.155 -27.209 24.094 1.00 4.23 H new ATOM 0 HB2 HIS A 5 27.444 -27.577 25.922 1.00 3.51 H new ATOM 0 HB3 HIS A 5 29.100 -27.968 26.339 1.00 3.51 H new ATOM 0 HD2 HIS A 5 26.411 -25.230 27.241 1.00 41.12 H new ATOM 0 HE1 HIS A 5 29.521 -25.104 30.118 1.00 34.34 H new ATOM 0 HE2 HIS A 5 27.224 -24.218 29.500 1.00 14.50 H new ATOM 81 N HIS A 6 27.487 -25.795 22.946 1.00 30.12 N ATOM 82 CA HIS A 6 26.457 -25.004 22.256 1.00 32.14 C ATOM 83 C HIS A 6 25.035 -25.414 22.686 1.00 53.35 C ATOM 84 O HIS A 6 24.819 -26.506 23.221 1.00 25.21 O ATOM 85 CB HIS A 6 26.619 -25.096 20.726 1.00 61.41 C ATOM 86 CG HIS A 6 26.574 -26.487 20.171 1.00 44.14 C ATOM 87 ND1 HIS A 6 25.405 -27.120 19.817 1.00 41.10 N ATOM 88 CD2 HIS A 6 27.568 -27.361 19.887 1.00 64.20 C ATOM 89 CE1 HIS A 6 25.680 -28.318 19.346 1.00 70.51 C ATOM 90 NE2 HIS A 6 26.984 -28.492 19.377 1.00 22.15 N ATOM 0 H HIS A 6 27.921 -26.518 22.371 1.00 30.12 H new ATOM 0 HA HIS A 6 26.598 -23.964 22.550 1.00 32.14 H new ATOM 0 HB2 HIS A 6 25.832 -24.507 20.256 1.00 61.41 H new ATOM 0 HB3 HIS A 6 27.569 -24.639 20.447 1.00 61.41 H new ATOM 0 HD2 HIS A 6 28.625 -27.198 20.035 1.00 64.20 H new ATOM 0 HE1 HIS A 6 24.956 -29.038 18.993 1.00 70.51 H new ATOM 0 HE2 HIS A 6 27.479 -29.330 19.072 1.00 22.15 H new ATOM 99 N HIS A 7 24.065 -24.536 22.426 1.00 22.02 N ATOM 100 CA HIS A 7 22.691 -24.698 22.930 1.00 74.23 C ATOM 101 C HIS A 7 21.645 -24.593 21.803 1.00 52.01 C ATOM 102 O HIS A 7 21.654 -23.646 21.021 1.00 14.11 O ATOM 103 CB HIS A 7 22.424 -23.637 24.010 1.00 2.21 C ATOM 104 CG HIS A 7 22.855 -22.254 23.604 1.00 32.32 C ATOM 105 ND1 HIS A 7 24.104 -21.741 23.894 1.00 73.31 N ATOM 106 CD2 HIS A 7 22.213 -21.287 22.901 1.00 4.43 C ATOM 107 CE1 HIS A 7 24.209 -20.528 23.391 1.00 64.34 C ATOM 108 NE2 HIS A 7 23.080 -20.228 22.783 1.00 55.13 N ATOM 0 H HIS A 7 24.203 -23.696 21.864 1.00 22.02 H new ATOM 0 HA HIS A 7 22.598 -25.697 23.357 1.00 74.23 H new ATOM 0 HB2 HIS A 7 21.359 -23.625 24.242 1.00 2.21 H new ATOM 0 HB3 HIS A 7 22.946 -23.919 24.924 1.00 2.21 H new ATOM 0 HD2 HIS A 7 21.208 -21.340 22.508 1.00 4.43 H new ATOM 0 HE1 HIS A 7 25.075 -19.887 23.465 1.00 64.34 H new ATOM 0 HE2 HIS A 7 22.881 -19.351 22.302 1.00 55.13 H new ATOM 117 N HIS A 8 20.733 -25.565 21.741 1.00 44.13 N ATOM 118 CA HIS A 8 19.688 -25.595 20.707 1.00 25.02 C ATOM 119 C HIS A 8 18.302 -25.251 21.277 1.00 45.52 C ATOM 120 O HIS A 8 17.996 -25.565 22.428 1.00 75.43 O ATOM 121 CB HIS A 8 19.642 -26.977 20.043 1.00 72.32 C ATOM 122 CG HIS A 8 19.360 -28.106 20.990 1.00 1.00 C ATOM 123 ND1 HIS A 8 18.134 -28.303 21.597 1.00 62.11 N ATOM 124 CD2 HIS A 8 20.158 -29.106 21.438 1.00 45.05 C ATOM 125 CE1 HIS A 8 18.194 -29.365 22.372 1.00 2.11 C ATOM 126 NE2 HIS A 8 19.407 -29.869 22.293 1.00 23.54 N ATOM 0 H HIS A 8 20.694 -26.346 22.396 1.00 44.13 H new ATOM 0 HA HIS A 8 19.943 -24.837 19.967 1.00 25.02 H new ATOM 0 HB2 HIS A 8 18.877 -26.969 19.267 1.00 72.32 H new ATOM 0 HB3 HIS A 8 20.596 -27.162 19.549 1.00 72.32 H new ATOM 0 HD2 HIS A 8 21.192 -29.270 21.171 1.00 45.05 H new ATOM 0 HE1 HIS A 8 17.385 -29.756 22.971 1.00 2.11 H new ATOM 0 HE2 HIS A 8 19.736 -30.697 22.790 1.00 23.54 H new ATOM 135 N SER A 9 17.459 -24.624 20.456 1.00 13.40 N ATOM 136 CA SER A 9 16.080 -24.302 20.857 1.00 3.41 C ATOM 137 C SER A 9 15.238 -23.831 19.662 1.00 72.51 C ATOM 138 O SER A 9 15.410 -22.716 19.166 1.00 74.51 O ATOM 139 CB SER A 9 16.057 -23.223 21.956 1.00 42.11 C ATOM 140 OG SER A 9 14.724 -22.912 22.357 1.00 73.00 O ATOM 0 H SER A 9 17.702 -24.328 19.511 1.00 13.40 H new ATOM 0 HA SER A 9 15.644 -25.221 21.250 1.00 3.41 H new ATOM 0 HB2 SER A 9 16.626 -23.569 22.819 1.00 42.11 H new ATOM 0 HB3 SER A 9 16.548 -22.321 21.592 1.00 42.11 H new ATOM 0 HG SER A 9 14.744 -22.226 23.056 1.00 73.00 H new ATOM 146 N HIS A 10 14.341 -24.693 19.189 1.00 11.41 N ATOM 147 CA HIS A 10 13.389 -24.327 18.133 1.00 61.44 C ATOM 148 C HIS A 10 12.032 -23.922 18.727 1.00 2.43 C ATOM 149 O HIS A 10 11.663 -24.360 19.819 1.00 30.21 O ATOM 150 CB HIS A 10 13.188 -25.495 17.159 1.00 54.43 C ATOM 151 CG HIS A 10 14.416 -25.874 16.391 1.00 31.34 C ATOM 152 ND1 HIS A 10 14.759 -27.180 16.123 1.00 73.55 N ATOM 153 CD2 HIS A 10 15.374 -25.112 15.809 1.00 44.23 C ATOM 154 CE1 HIS A 10 15.867 -27.207 15.415 1.00 54.14 C ATOM 155 NE2 HIS A 10 16.263 -25.968 15.208 1.00 2.41 N ATOM 0 H HIS A 10 14.250 -25.654 19.519 1.00 11.41 H new ATOM 0 HA HIS A 10 13.807 -23.475 17.596 1.00 61.44 H new ATOM 0 HB2 HIS A 10 12.841 -26.364 17.718 1.00 54.43 H new ATOM 0 HB3 HIS A 10 12.399 -25.233 16.454 1.00 54.43 H new ATOM 0 HD2 HIS A 10 15.428 -24.033 15.817 1.00 44.23 H new ATOM 0 HE1 HIS A 10 16.368 -28.096 15.062 1.00 54.14 H new ATOM 0 HE2 HIS A 10 17.094 -25.690 14.686 1.00 2.41 H new ATOM 164 N MET A 11 11.290 -23.089 18.001 1.00 64.51 N ATOM 165 CA MET A 11 9.950 -22.679 18.432 1.00 61.44 C ATOM 166 C MET A 11 8.938 -23.823 18.254 1.00 2.24 C ATOM 167 O MET A 11 8.438 -24.065 17.152 1.00 44.23 O ATOM 168 CB MET A 11 9.488 -21.434 17.662 1.00 50.22 C ATOM 169 CG MET A 11 10.290 -20.183 17.993 1.00 44.51 C ATOM 170 SD MET A 11 10.207 -19.758 19.745 1.00 31.02 S ATOM 171 CE MET A 11 11.243 -18.297 19.801 1.00 35.52 C ATOM 0 H MET A 11 11.590 -22.684 17.114 1.00 64.51 H new ATOM 0 HA MET A 11 10.002 -22.432 19.492 1.00 61.44 H new ATOM 0 HB2 MET A 11 9.561 -21.630 16.592 1.00 50.22 H new ATOM 0 HB3 MET A 11 8.436 -21.250 17.881 1.00 50.22 H new ATOM 0 HG2 MET A 11 11.331 -20.336 17.708 1.00 44.51 H new ATOM 0 HG3 MET A 11 9.916 -19.348 17.401 1.00 44.51 H new ATOM 0 HE1 MET A 11 11.287 -17.921 20.823 1.00 35.52 H new ATOM 0 HE2 MET A 11 12.248 -18.551 19.465 1.00 35.52 H new ATOM 0 HE3 MET A 11 10.825 -17.530 19.149 1.00 35.52 H new ATOM 181 N ALA A 12 8.666 -24.534 19.346 1.00 52.31 N ATOM 182 CA ALA A 12 7.736 -25.667 19.335 1.00 70.52 C ATOM 183 C ALA A 12 6.276 -25.204 19.192 1.00 44.04 C ATOM 184 O ALA A 12 5.713 -24.600 20.107 1.00 51.34 O ATOM 185 CB ALA A 12 7.917 -26.498 20.602 1.00 73.15 C ATOM 0 H ALA A 12 9.080 -24.345 20.259 1.00 52.31 H new ATOM 0 HA ALA A 12 7.965 -26.284 18.466 1.00 70.52 H new ATOM 0 HB1 ALA A 12 7.223 -27.339 20.588 1.00 73.15 H new ATOM 0 HB2 ALA A 12 8.940 -26.872 20.649 1.00 73.15 H new ATOM 0 HB3 ALA A 12 7.718 -25.877 21.476 1.00 73.15 H new ATOM 191 N LYS A 13 5.678 -25.513 18.040 1.00 72.14 N ATOM 192 CA LYS A 13 4.314 -25.073 17.700 1.00 21.01 C ATOM 193 C LYS A 13 4.204 -23.541 17.624 1.00 53.41 C ATOM 194 O LYS A 13 3.739 -22.886 18.560 1.00 23.51 O ATOM 195 CB LYS A 13 3.274 -25.641 18.683 1.00 32.34 C ATOM 196 CG LYS A 13 3.145 -27.170 18.677 1.00 71.45 C ATOM 197 CD LYS A 13 2.463 -27.719 17.411 1.00 73.50 C ATOM 198 CE LYS A 13 3.386 -27.718 16.192 1.00 30.04 C ATOM 199 NZ LYS A 13 2.740 -28.315 14.993 1.00 55.42 N ATOM 0 H LYS A 13 6.121 -26.075 17.313 1.00 72.14 H new ATOM 0 HA LYS A 13 4.098 -25.470 16.708 1.00 21.01 H new ATOM 0 HB2 LYS A 13 3.534 -25.317 19.691 1.00 32.34 H new ATOM 0 HB3 LYS A 13 2.301 -25.208 18.450 1.00 32.34 H new ATOM 0 HG2 LYS A 13 4.137 -27.612 18.767 1.00 71.45 H new ATOM 0 HG3 LYS A 13 2.576 -27.483 19.552 1.00 71.45 H new ATOM 0 HD2 LYS A 13 2.120 -28.736 17.601 1.00 73.50 H new ATOM 0 HD3 LYS A 13 1.579 -27.121 17.192 1.00 73.50 H new ATOM 0 HE2 LYS A 13 3.687 -26.695 15.968 1.00 30.04 H new ATOM 0 HE3 LYS A 13 4.294 -28.273 16.427 1.00 30.04 H new ATOM 0 HZ1 LYS A 13 3.404 -28.292 14.193 1.00 55.42 H new ATOM 0 HZ2 LYS A 13 2.476 -29.300 15.195 1.00 55.42 H new ATOM 0 HZ3 LYS A 13 1.887 -27.771 14.751 1.00 55.42 H new ATOM 213 N PRO A 14 4.637 -22.951 16.496 1.00 30.33 N ATOM 214 CA PRO A 14 4.552 -21.505 16.270 1.00 63.01 C ATOM 215 C PRO A 14 3.173 -21.083 15.729 1.00 63.52 C ATOM 216 O PRO A 14 3.069 -20.453 14.673 1.00 0.41 O ATOM 217 CB PRO A 14 5.657 -21.275 15.230 1.00 51.33 C ATOM 218 CG PRO A 14 5.674 -22.530 14.419 1.00 23.42 C ATOM 219 CD PRO A 14 5.259 -23.649 15.350 1.00 12.03 C ATOM 0 HA PRO A 14 4.674 -20.919 17.181 1.00 63.01 H new ATOM 0 HB2 PRO A 14 5.443 -20.404 14.610 1.00 51.33 H new ATOM 0 HB3 PRO A 14 6.621 -21.098 15.707 1.00 51.33 H new ATOM 0 HG2 PRO A 14 4.990 -22.455 13.574 1.00 23.42 H new ATOM 0 HG3 PRO A 14 6.667 -22.714 14.010 1.00 23.42 H new ATOM 0 HD2 PRO A 14 4.556 -24.329 14.868 1.00 12.03 H new ATOM 0 HD3 PRO A 14 6.116 -24.245 15.664 1.00 12.03 H new ATOM 227 N THR A 15 2.116 -21.430 16.464 1.00 75.30 N ATOM 228 CA THR A 15 0.742 -21.110 16.054 1.00 11.43 C ATOM 229 C THR A 15 0.534 -19.593 15.943 1.00 31.32 C ATOM 230 O THR A 15 0.309 -18.908 16.943 1.00 51.20 O ATOM 231 CB THR A 15 -0.297 -21.689 17.046 1.00 12.25 C ATOM 232 OG1 THR A 15 -0.040 -23.083 17.268 1.00 31.50 O ATOM 233 CG2 THR A 15 -1.719 -21.512 16.524 1.00 53.53 C ATOM 0 H THR A 15 2.182 -21.934 17.348 1.00 75.30 H new ATOM 0 HA THR A 15 0.593 -21.568 15.076 1.00 11.43 H new ATOM 0 HB THR A 15 -0.204 -21.143 17.985 1.00 12.25 H new ATOM 0 HG1 THR A 15 -0.700 -23.441 17.898 1.00 31.50 H new ATOM 0 HG21 THR A 15 -2.425 -21.928 17.243 1.00 53.53 H new ATOM 0 HG22 THR A 15 -1.926 -20.451 16.385 1.00 53.53 H new ATOM 0 HG23 THR A 15 -1.824 -22.030 15.571 1.00 53.53 H new ATOM 241 N ALA A 16 0.640 -19.075 14.724 1.00 72.43 N ATOM 242 CA ALA A 16 0.467 -17.644 14.469 1.00 14.34 C ATOM 243 C ALA A 16 -1.014 -17.245 14.449 1.00 14.01 C ATOM 244 O ALA A 16 -1.880 -18.048 14.103 1.00 53.10 O ATOM 245 CB ALA A 16 1.132 -17.269 13.152 1.00 42.21 C ATOM 0 H ALA A 16 0.846 -19.626 13.891 1.00 72.43 H new ATOM 0 HA ALA A 16 0.942 -17.098 15.284 1.00 14.34 H new ATOM 0 HB1 ALA A 16 1.000 -16.203 12.968 1.00 42.21 H new ATOM 0 HB2 ALA A 16 2.196 -17.499 13.203 1.00 42.21 H new ATOM 0 HB3 ALA A 16 0.677 -17.836 12.340 1.00 42.21 H new ATOM 251 N ARG A 17 -1.301 -16.000 14.823 1.00 54.32 N ATOM 252 CA ARG A 17 -2.678 -15.500 14.849 1.00 71.15 C ATOM 253 C ARG A 17 -3.032 -14.779 13.532 1.00 55.33 C ATOM 254 O ARG A 17 -2.407 -13.779 13.171 1.00 41.24 O ATOM 255 CB ARG A 17 -2.868 -14.553 16.044 1.00 64.43 C ATOM 256 CG ARG A 17 -4.330 -14.292 16.409 1.00 50.50 C ATOM 257 CD ARG A 17 -5.017 -15.555 16.930 1.00 33.22 C ATOM 258 NE ARG A 17 -4.361 -16.082 18.126 1.00 31.33 N ATOM 259 CZ ARG A 17 -4.674 -17.213 18.705 1.00 64.23 C ATOM 260 NH1 ARG A 17 -5.598 -17.978 18.217 1.00 22.10 N ATOM 261 NH2 ARG A 17 -4.048 -17.574 19.776 1.00 31.14 N ATOM 0 H ARG A 17 -0.600 -15.318 15.112 1.00 54.32 H new ATOM 0 HA ARG A 17 -3.350 -16.351 14.956 1.00 71.15 H new ATOM 0 HB2 ARG A 17 -2.358 -14.973 16.911 1.00 64.43 H new ATOM 0 HB3 ARG A 17 -2.385 -13.602 15.820 1.00 64.43 H new ATOM 0 HG2 ARG A 17 -4.382 -13.510 17.167 1.00 50.50 H new ATOM 0 HG3 ARG A 17 -4.863 -13.923 15.533 1.00 50.50 H new ATOM 0 HD2 ARG A 17 -6.060 -15.333 17.157 1.00 33.22 H new ATOM 0 HD3 ARG A 17 -5.015 -16.317 16.150 1.00 33.22 H new ATOM 0 HE ARG A 17 -3.608 -15.530 18.537 1.00 31.33 H new ATOM 0 HH11 ARG A 17 -6.094 -17.702 17.369 1.00 22.10 H new ATOM 0 HH12 ARG A 17 -5.830 -18.857 18.680 1.00 22.10 H new ATOM 0 HH21 ARG A 17 -3.316 -16.979 20.164 1.00 31.14 H new ATOM 0 HH22 ARG A 17 -4.286 -18.454 20.234 1.00 31.14 H new ATOM 275 N GLY A 18 -4.036 -15.290 12.821 1.00 54.30 N ATOM 276 CA GLY A 18 -4.436 -14.702 11.547 1.00 54.23 C ATOM 277 C GLY A 18 -5.306 -13.453 11.701 1.00 3.22 C ATOM 278 O GLY A 18 -6.503 -13.486 11.423 1.00 53.21 O ATOM 0 H GLY A 18 -4.583 -16.103 13.104 1.00 54.30 H new ATOM 0 HA2 GLY A 18 -3.543 -14.446 10.977 1.00 54.23 H new ATOM 0 HA3 GLY A 18 -4.981 -15.446 10.967 1.00 54.23 H new ATOM 282 N GLU A 19 -4.706 -12.351 12.146 1.00 11.35 N ATOM 283 CA GLU A 19 -5.433 -11.083 12.301 1.00 11.13 C ATOM 284 C GLU A 19 -5.748 -10.443 10.935 1.00 11.42 C ATOM 285 O GLU A 19 -4.879 -9.829 10.312 1.00 24.31 O ATOM 286 CB GLU A 19 -4.616 -10.108 13.159 1.00 52.20 C ATOM 287 CG GLU A 19 -4.306 -10.626 14.559 1.00 64.04 C ATOM 288 CD GLU A 19 -3.492 -9.636 15.376 1.00 41.45 C ATOM 289 OE1 GLU A 19 -4.093 -8.769 16.041 1.00 63.53 O ATOM 290 OE2 GLU A 19 -2.243 -9.716 15.349 1.00 13.14 O ATOM 0 H GLU A 19 -3.721 -12.305 12.406 1.00 11.35 H new ATOM 0 HA GLU A 19 -6.379 -11.299 12.798 1.00 11.13 H new ATOM 0 HB2 GLU A 19 -3.679 -9.888 12.648 1.00 52.20 H new ATOM 0 HB3 GLU A 19 -5.162 -9.168 13.243 1.00 52.20 H new ATOM 0 HG2 GLU A 19 -5.240 -10.841 15.079 1.00 64.04 H new ATOM 0 HG3 GLU A 19 -3.760 -11.566 14.483 1.00 64.04 H new ATOM 297 N ALA A 20 -6.988 -10.594 10.467 1.00 31.33 N ATOM 298 CA ALA A 20 -7.390 -10.056 9.161 1.00 54.12 C ATOM 299 C ALA A 20 -8.731 -9.307 9.233 1.00 3.30 C ATOM 300 O ALA A 20 -9.805 -9.916 9.222 1.00 10.14 O ATOM 301 CB ALA A 20 -7.455 -11.182 8.131 1.00 2.04 C ATOM 0 H ALA A 20 -7.730 -11.082 10.968 1.00 31.33 H new ATOM 0 HA ALA A 20 -6.636 -9.331 8.853 1.00 54.12 H new ATOM 0 HB1 ALA A 20 -7.754 -10.775 7.165 1.00 2.04 H new ATOM 0 HB2 ALA A 20 -6.474 -11.649 8.040 1.00 2.04 H new ATOM 0 HB3 ALA A 20 -8.183 -11.927 8.452 1.00 2.04 H new ATOM 307 N GLY A 21 -8.665 -7.981 9.321 1.00 51.41 N ATOM 308 CA GLY A 21 -9.875 -7.164 9.337 1.00 2.42 C ATOM 309 C GLY A 21 -10.423 -6.881 7.938 1.00 2.11 C ATOM 310 O GLY A 21 -11.353 -7.555 7.477 1.00 62.35 O ATOM 0 H GLY A 21 -7.794 -7.453 9.382 1.00 51.41 H new ATOM 0 HA2 GLY A 21 -10.640 -7.670 9.926 1.00 2.42 H new ATOM 0 HA3 GLY A 21 -9.662 -6.219 9.836 1.00 2.42 H new ATOM 314 N SER A 22 -9.840 -5.891 7.262 1.00 62.43 N ATOM 315 CA SER A 22 -10.253 -5.507 5.899 1.00 13.42 C ATOM 316 C SER A 22 -9.943 -6.600 4.865 1.00 12.33 C ATOM 317 O SER A 22 -9.225 -7.562 5.150 1.00 3.03 O ATOM 318 CB SER A 22 -9.553 -4.207 5.475 1.00 25.44 C ATOM 319 OG SER A 22 -9.801 -3.159 6.397 1.00 3.23 O ATOM 0 H SER A 22 -9.073 -5.332 7.635 1.00 62.43 H new ATOM 0 HA SER A 22 -11.333 -5.362 5.928 1.00 13.42 H new ATOM 0 HB2 SER A 22 -8.479 -4.379 5.398 1.00 25.44 H new ATOM 0 HB3 SER A 22 -9.900 -3.912 4.485 1.00 25.44 H new ATOM 0 HG SER A 22 -9.341 -2.346 6.100 1.00 3.23 H new ATOM 325 N ARG A 23 -10.474 -6.438 3.655 1.00 53.21 N ATOM 326 CA ARG A 23 -10.243 -7.403 2.573 1.00 23.42 C ATOM 327 C ARG A 23 -8.755 -7.455 2.194 1.00 51.34 C ATOM 328 O ARG A 23 -8.176 -8.534 2.029 1.00 53.42 O ATOM 329 CB ARG A 23 -11.089 -7.033 1.344 1.00 21.22 C ATOM 330 CG ARG A 23 -11.087 -8.092 0.243 1.00 52.12 C ATOM 331 CD ARG A 23 -11.885 -7.645 -0.979 1.00 33.13 C ATOM 332 NE ARG A 23 -12.087 -8.736 -1.933 1.00 43.32 N ATOM 333 CZ ARG A 23 -11.840 -8.657 -3.213 1.00 20.15 C ATOM 334 NH1 ARG A 23 -11.335 -7.577 -3.724 1.00 4.21 N ATOM 335 NH2 ARG A 23 -12.097 -9.666 -3.980 1.00 1.53 N ATOM 0 H ARG A 23 -11.067 -5.650 3.396 1.00 53.21 H new ATOM 0 HA ARG A 23 -10.541 -8.390 2.926 1.00 23.42 H new ATOM 0 HB2 ARG A 23 -12.116 -6.858 1.663 1.00 21.22 H new ATOM 0 HB3 ARG A 23 -10.719 -6.094 0.931 1.00 21.22 H new ATOM 0 HG2 ARG A 23 -10.060 -8.306 -0.053 1.00 52.12 H new ATOM 0 HG3 ARG A 23 -11.507 -9.020 0.631 1.00 52.12 H new ATOM 0 HD2 ARG A 23 -12.853 -7.260 -0.658 1.00 33.13 H new ATOM 0 HD3 ARG A 23 -11.363 -6.825 -1.472 1.00 33.13 H new ATOM 0 HE ARG A 23 -12.446 -9.620 -1.573 1.00 43.32 H new ATOM 0 HH11 ARG A 23 -11.127 -6.778 -3.125 1.00 4.21 H new ATOM 0 HH12 ARG A 23 -11.146 -7.526 -4.725 1.00 4.21 H new ATOM 0 HH21 ARG A 23 -12.491 -10.520 -3.585 1.00 1.53 H new ATOM 0 HH22 ARG A 23 -11.905 -9.608 -4.980 1.00 1.53 H new ATOM 349 N ASP A 24 -8.142 -6.278 2.083 1.00 14.40 N ATOM 350 CA ASP A 24 -6.721 -6.161 1.740 1.00 4.13 C ATOM 351 C ASP A 24 -5.814 -6.868 2.757 1.00 1.22 C ATOM 352 O ASP A 24 -4.698 -7.267 2.420 1.00 60.30 O ATOM 353 CB ASP A 24 -6.322 -4.688 1.620 1.00 24.52 C ATOM 354 CG ASP A 24 -6.939 -4.022 0.405 1.00 14.54 C ATOM 355 OD1 ASP A 24 -8.122 -3.628 0.471 1.00 32.54 O ATOM 356 OD2 ASP A 24 -6.243 -3.901 -0.624 1.00 63.03 O ATOM 0 H ASP A 24 -8.610 -5.383 2.227 1.00 14.40 H new ATOM 0 HA ASP A 24 -6.583 -6.657 0.779 1.00 4.13 H new ATOM 0 HB2 ASP A 24 -6.631 -4.156 2.520 1.00 24.52 H new ATOM 0 HB3 ASP A 24 -5.236 -4.612 1.561 1.00 24.52 H new ATOM 361 N GLU A 25 -6.288 -7.028 3.995 1.00 30.25 N ATOM 362 CA GLU A 25 -5.505 -7.713 5.031 1.00 31.33 C ATOM 363 C GLU A 25 -5.115 -9.129 4.580 1.00 21.22 C ATOM 364 O GLU A 25 -4.019 -9.601 4.872 1.00 0.54 O ATOM 365 CB GLU A 25 -6.275 -7.781 6.358 1.00 33.34 C ATOM 366 CG GLU A 25 -6.845 -6.445 6.829 1.00 60.22 C ATOM 367 CD GLU A 25 -5.880 -5.282 6.682 1.00 44.14 C ATOM 368 OE1 GLU A 25 -4.988 -5.127 7.540 1.00 62.12 O ATOM 369 OE2 GLU A 25 -6.029 -4.507 5.716 1.00 75.04 O ATOM 0 H GLU A 25 -7.202 -6.697 4.304 1.00 30.25 H new ATOM 0 HA GLU A 25 -4.596 -7.132 5.188 1.00 31.33 H new ATOM 0 HB2 GLU A 25 -7.093 -8.494 6.253 1.00 33.34 H new ATOM 0 HB3 GLU A 25 -5.611 -8.170 7.129 1.00 33.34 H new ATOM 0 HG2 GLU A 25 -7.751 -6.227 6.263 1.00 60.22 H new ATOM 0 HG3 GLU A 25 -7.136 -6.533 7.876 1.00 60.22 H new ATOM 376 N ARG A 26 -6.016 -9.792 3.848 1.00 0.24 N ATOM 377 CA ARG A 26 -5.726 -11.116 3.283 1.00 74.31 C ATOM 378 C ARG A 26 -4.579 -11.020 2.263 1.00 61.10 C ATOM 379 O ARG A 26 -3.630 -11.798 2.305 1.00 61.11 O ATOM 380 CB ARG A 26 -6.981 -11.727 2.625 1.00 34.21 C ATOM 381 CG ARG A 26 -8.028 -12.262 3.611 1.00 55.32 C ATOM 382 CD ARG A 26 -8.713 -11.151 4.408 1.00 11.24 C ATOM 383 NE ARG A 26 -9.721 -11.675 5.333 1.00 11.43 N ATOM 384 CZ ARG A 26 -10.417 -10.939 6.160 1.00 25.11 C ATOM 385 NH1 ARG A 26 -10.259 -9.656 6.189 1.00 71.23 N ATOM 386 NH2 ARG A 26 -11.283 -11.489 6.949 1.00 62.11 N ATOM 0 H ARG A 26 -6.948 -9.437 3.633 1.00 0.24 H new ATOM 0 HA ARG A 26 -5.420 -11.772 4.097 1.00 74.31 H new ATOM 0 HB2 ARG A 26 -7.449 -10.970 1.995 1.00 34.21 H new ATOM 0 HB3 ARG A 26 -6.671 -12.540 1.969 1.00 34.21 H new ATOM 0 HG2 ARG A 26 -8.782 -12.827 3.063 1.00 55.32 H new ATOM 0 HG3 ARG A 26 -7.549 -12.956 4.302 1.00 55.32 H new ATOM 0 HD2 ARG A 26 -7.963 -10.593 4.969 1.00 11.24 H new ATOM 0 HD3 ARG A 26 -9.184 -10.449 3.719 1.00 11.24 H new ATOM 0 HE ARG A 26 -9.891 -12.681 5.332 1.00 11.43 H new ATOM 0 HH11 ARG A 26 -9.587 -9.211 5.564 1.00 71.23 H new ATOM 0 HH12 ARG A 26 -10.806 -9.089 6.837 1.00 71.23 H new ATOM 0 HH21 ARG A 26 -11.424 -12.499 6.927 1.00 62.11 H new ATOM 0 HH22 ARG A 26 -11.824 -10.913 7.593 1.00 62.11 H new ATOM 400 N ARG A 27 -4.673 -10.036 1.369 1.00 65.21 N ATOM 401 CA ARG A 27 -3.602 -9.745 0.403 1.00 74.41 C ATOM 402 C ARG A 27 -2.267 -9.456 1.118 1.00 25.12 C ATOM 403 O ARG A 27 -1.203 -9.899 0.680 1.00 21.04 O ATOM 404 CB ARG A 27 -4.012 -8.549 -0.481 1.00 41.52 C ATOM 405 CG ARG A 27 -4.913 -8.927 -1.664 1.00 33.20 C ATOM 406 CD ARG A 27 -6.055 -7.929 -1.896 1.00 71.00 C ATOM 407 NE ARG A 27 -5.611 -6.532 -1.961 1.00 5.15 N ATOM 408 CZ ARG A 27 -5.409 -5.860 -3.067 1.00 53.53 C ATOM 409 NH1 ARG A 27 -5.451 -6.438 -4.224 1.00 14.43 N ATOM 410 NH2 ARG A 27 -5.154 -4.596 -3.008 1.00 21.43 N ATOM 0 H ARG A 27 -5.483 -9.421 1.290 1.00 65.21 H new ATOM 0 HA ARG A 27 -3.455 -10.623 -0.225 1.00 74.41 H new ATOM 0 HB2 ARG A 27 -4.529 -7.815 0.136 1.00 41.52 H new ATOM 0 HB3 ARG A 27 -3.112 -8.067 -0.863 1.00 41.52 H new ATOM 0 HG2 ARG A 27 -4.307 -8.993 -2.568 1.00 33.20 H new ATOM 0 HG3 ARG A 27 -5.334 -9.917 -1.490 1.00 33.20 H new ATOM 0 HD2 ARG A 27 -6.565 -8.183 -2.825 1.00 71.00 H new ATOM 0 HD3 ARG A 27 -6.785 -8.032 -1.093 1.00 71.00 H new ATOM 0 HE ARG A 27 -5.447 -6.048 -1.078 1.00 5.15 H new ATOM 0 HH11 ARG A 27 -5.645 -7.437 -4.288 1.00 14.43 H new ATOM 0 HH12 ARG A 27 -5.291 -5.894 -5.072 1.00 14.43 H new ATOM 0 HH21 ARG A 27 -5.111 -4.126 -2.104 1.00 21.43 H new ATOM 0 HH22 ARG A 27 -4.996 -4.067 -3.866 1.00 21.43 H new ATOM 424 N ALA A 28 -2.342 -8.727 2.232 1.00 72.31 N ATOM 425 CA ALA A 28 -1.156 -8.361 3.014 1.00 70.53 C ATOM 426 C ALA A 28 -0.452 -9.592 3.609 1.00 65.54 C ATOM 427 O ALA A 28 0.757 -9.771 3.444 1.00 62.24 O ATOM 428 CB ALA A 28 -1.549 -7.389 4.122 1.00 62.24 C ATOM 0 H ALA A 28 -3.218 -8.375 2.617 1.00 72.31 H new ATOM 0 HA ALA A 28 -0.448 -7.881 2.339 1.00 70.53 H new ATOM 0 HB1 ALA A 28 -0.665 -7.120 4.700 1.00 62.24 H new ATOM 0 HB2 ALA A 28 -1.982 -6.491 3.681 1.00 62.24 H new ATOM 0 HB3 ALA A 28 -2.281 -7.861 4.777 1.00 62.24 H new ATOM 434 N LEU A 29 -1.210 -10.439 4.302 1.00 64.22 N ATOM 435 CA LEU A 29 -0.640 -11.637 4.933 1.00 64.43 C ATOM 436 C LEU A 29 -0.314 -12.732 3.901 1.00 13.32 C ATOM 437 O LEU A 29 0.491 -13.626 4.168 1.00 53.14 O ATOM 438 CB LEU A 29 -1.577 -12.164 6.041 1.00 12.53 C ATOM 439 CG LEU A 29 -3.025 -12.497 5.620 1.00 75.41 C ATOM 440 CD1 LEU A 29 -3.118 -13.879 4.971 1.00 14.31 C ATOM 441 CD2 LEU A 29 -3.969 -12.400 6.818 1.00 15.23 C ATOM 0 H LEU A 29 -2.214 -10.323 4.443 1.00 64.22 H new ATOM 0 HA LEU A 29 0.305 -11.351 5.394 1.00 64.43 H new ATOM 0 HB2 LEU A 29 -1.130 -13.063 6.466 1.00 12.53 H new ATOM 0 HB3 LEU A 29 -1.616 -11.420 6.837 1.00 12.53 H new ATOM 0 HG LEU A 29 -3.330 -11.762 4.875 1.00 75.41 H new ATOM 0 HD11 LEU A 29 -4.151 -14.079 4.688 1.00 14.31 H new ATOM 0 HD12 LEU A 29 -2.486 -13.907 4.083 1.00 14.31 H new ATOM 0 HD13 LEU A 29 -2.783 -14.637 5.679 1.00 14.31 H new ATOM 0 HD21 LEU A 29 -4.984 -12.638 6.501 1.00 15.23 H new ATOM 0 HD22 LEU A 29 -3.654 -13.105 7.587 1.00 15.23 H new ATOM 0 HD23 LEU A 29 -3.943 -11.388 7.221 1.00 15.23 H new ATOM 453 N ALA A 30 -0.943 -12.663 2.726 1.00 75.34 N ATOM 454 CA ALA A 30 -0.668 -13.615 1.641 1.00 33.20 C ATOM 455 C ALA A 30 0.714 -13.377 1.009 1.00 74.51 C ATOM 456 O ALA A 30 1.417 -14.323 0.654 1.00 4.32 O ATOM 457 CB ALA A 30 -1.755 -13.533 0.575 1.00 51.15 C ATOM 0 H ALA A 30 -1.646 -11.960 2.499 1.00 75.34 H new ATOM 0 HA ALA A 30 -0.666 -14.615 2.075 1.00 33.20 H new ATOM 0 HB1 ALA A 30 -1.537 -14.244 -0.222 1.00 51.15 H new ATOM 0 HB2 ALA A 30 -2.721 -13.772 1.021 1.00 51.15 H new ATOM 0 HB3 ALA A 30 -1.785 -12.524 0.163 1.00 51.15 H new ATOM 463 N MET A 31 1.087 -12.108 0.854 1.00 5.12 N ATOM 464 CA MET A 31 2.404 -11.741 0.308 1.00 43.43 C ATOM 465 C MET A 31 3.400 -11.368 1.423 1.00 51.14 C ATOM 466 O MET A 31 4.557 -11.045 1.149 1.00 71.32 O ATOM 467 CB MET A 31 2.259 -10.573 -0.675 1.00 23.24 C ATOM 468 CG MET A 31 1.460 -10.918 -1.925 1.00 33.13 C ATOM 469 SD MET A 31 2.283 -12.145 -2.965 1.00 32.24 S ATOM 470 CE MET A 31 3.769 -11.256 -3.428 1.00 4.24 C ATOM 0 H MET A 31 0.499 -11.311 1.098 1.00 5.12 H new ATOM 0 HA MET A 31 2.800 -12.612 -0.215 1.00 43.43 H new ATOM 0 HB2 MET A 31 1.777 -9.739 -0.165 1.00 23.24 H new ATOM 0 HB3 MET A 31 3.252 -10.234 -0.971 1.00 23.24 H new ATOM 0 HG2 MET A 31 0.480 -11.295 -1.632 1.00 33.13 H new ATOM 0 HG3 MET A 31 1.292 -10.011 -2.505 1.00 33.13 H new ATOM 0 HE1 MET A 31 4.199 -11.707 -4.322 1.00 4.24 H new ATOM 0 HE2 MET A 31 3.521 -10.214 -3.630 1.00 4.24 H new ATOM 0 HE3 MET A 31 4.491 -11.306 -2.613 1.00 4.24 H new ATOM 480 N LYS A 32 2.932 -11.418 2.672 1.00 33.31 N ATOM 481 CA LYS A 32 3.748 -11.086 3.852 1.00 0.24 C ATOM 482 C LYS A 32 4.238 -9.625 3.831 1.00 31.33 C ATOM 483 O LYS A 32 5.389 -9.340 3.493 1.00 2.31 O ATOM 484 CB LYS A 32 4.937 -12.051 4.002 1.00 23.02 C ATOM 485 CG LYS A 32 4.524 -13.495 4.269 1.00 52.03 C ATOM 486 CD LYS A 32 5.728 -14.395 4.540 1.00 62.34 C ATOM 487 CE LYS A 32 6.665 -14.484 3.339 1.00 71.42 C ATOM 488 NZ LYS A 32 5.991 -15.062 2.144 1.00 2.13 N ATOM 0 H LYS A 32 1.975 -11.690 2.899 1.00 33.31 H new ATOM 0 HA LYS A 32 3.099 -11.201 4.720 1.00 0.24 H new ATOM 0 HB2 LYS A 32 5.539 -12.016 3.094 1.00 23.02 H new ATOM 0 HB3 LYS A 32 5.572 -11.707 4.818 1.00 23.02 H new ATOM 0 HG2 LYS A 32 3.848 -13.526 5.124 1.00 52.03 H new ATOM 0 HG3 LYS A 32 3.971 -13.878 3.411 1.00 52.03 H new ATOM 0 HD2 LYS A 32 6.278 -14.013 5.400 1.00 62.34 H new ATOM 0 HD3 LYS A 32 5.380 -15.394 4.802 1.00 62.34 H new ATOM 0 HE2 LYS A 32 7.040 -13.489 3.098 1.00 71.42 H new ATOM 0 HE3 LYS A 32 7.529 -15.096 3.599 1.00 71.42 H new ATOM 0 HZ1 LYS A 32 6.699 -15.261 1.409 1.00 2.13 H new ATOM 0 HZ2 LYS A 32 5.510 -15.945 2.410 1.00 2.13 H new ATOM 0 HZ3 LYS A 32 5.293 -14.384 1.777 1.00 2.13 H new ATOM 502 N ILE A 33 3.343 -8.704 4.180 1.00 62.52 N ATOM 503 CA ILE A 33 3.688 -7.281 4.302 1.00 32.13 C ATOM 504 C ILE A 33 4.096 -6.948 5.754 1.00 31.42 C ATOM 505 O ILE A 33 3.296 -7.099 6.678 1.00 30.44 O ATOM 506 CB ILE A 33 2.500 -6.377 3.868 1.00 1.32 C ATOM 507 CG1 ILE A 33 2.122 -6.656 2.399 1.00 32.42 C ATOM 508 CG2 ILE A 33 2.832 -4.896 4.069 1.00 44.52 C ATOM 509 CD1 ILE A 33 3.234 -6.366 1.406 1.00 43.11 C ATOM 0 H ILE A 33 2.366 -8.915 4.385 1.00 62.52 H new ATOM 0 HA ILE A 33 4.531 -7.084 3.639 1.00 32.13 H new ATOM 0 HB ILE A 33 1.644 -6.615 4.499 1.00 1.32 H new ATOM 0 HG12 ILE A 33 1.828 -7.701 2.303 1.00 32.42 H new ATOM 0 HG13 ILE A 33 1.251 -6.054 2.139 1.00 32.42 H new ATOM 0 HG21 ILE A 33 1.983 -4.287 3.757 1.00 44.52 H new ATOM 0 HG22 ILE A 33 3.044 -4.710 5.122 1.00 44.52 H new ATOM 0 HG23 ILE A 33 3.705 -4.634 3.471 1.00 44.52 H new ATOM 0 HD11 ILE A 33 2.888 -6.588 0.397 1.00 43.11 H new ATOM 0 HD12 ILE A 33 3.514 -5.315 1.470 1.00 43.11 H new ATOM 0 HD13 ILE A 33 4.099 -6.987 1.637 1.00 43.11 H new ATOM 521 N PRO A 34 5.349 -6.501 5.976 1.00 54.32 N ATOM 522 CA PRO A 34 5.881 -6.242 7.328 1.00 72.35 C ATOM 523 C PRO A 34 5.516 -4.854 7.905 1.00 71.22 C ATOM 524 O PRO A 34 6.255 -4.307 8.729 1.00 60.14 O ATOM 525 CB PRO A 34 7.392 -6.354 7.102 1.00 25.34 C ATOM 526 CG PRO A 34 7.599 -5.862 5.706 1.00 11.04 C ATOM 527 CD PRO A 34 6.357 -6.235 4.930 1.00 31.11 C ATOM 0 HA PRO A 34 5.466 -6.932 8.063 1.00 72.35 H new ATOM 0 HB2 PRO A 34 7.947 -5.752 7.821 1.00 25.34 H new ATOM 0 HB3 PRO A 34 7.735 -7.382 7.215 1.00 25.34 H new ATOM 0 HG2 PRO A 34 7.754 -4.783 5.694 1.00 11.04 H new ATOM 0 HG3 PRO A 34 8.485 -6.316 5.262 1.00 11.04 H new ATOM 0 HD2 PRO A 34 6.042 -5.428 4.268 1.00 31.11 H new ATOM 0 HD3 PRO A 34 6.525 -7.112 4.305 1.00 31.11 H new ATOM 535 N PHE A 35 4.376 -4.295 7.490 1.00 52.42 N ATOM 536 CA PHE A 35 3.909 -3.002 8.018 1.00 44.03 C ATOM 537 C PHE A 35 2.386 -2.829 7.832 1.00 32.53 C ATOM 538 O PHE A 35 1.790 -3.442 6.944 1.00 45.32 O ATOM 539 CB PHE A 35 4.683 -1.834 7.372 1.00 0.51 C ATOM 540 CG PHE A 35 4.632 -1.795 5.863 1.00 12.12 C ATOM 541 CD1 PHE A 35 5.551 -2.507 5.110 1.00 11.13 C ATOM 542 CD2 PHE A 35 3.681 -1.033 5.200 1.00 45.21 C ATOM 543 CE1 PHE A 35 5.523 -2.464 3.731 1.00 34.44 C ATOM 544 CE2 PHE A 35 3.647 -0.990 3.819 1.00 50.21 C ATOM 545 CZ PHE A 35 4.570 -1.705 3.084 1.00 21.31 C ATOM 0 H PHE A 35 3.759 -4.712 6.793 1.00 52.42 H new ATOM 0 HA PHE A 35 4.109 -2.991 9.089 1.00 44.03 H new ATOM 0 HB2 PHE A 35 4.285 -0.896 7.759 1.00 0.51 H new ATOM 0 HB3 PHE A 35 5.726 -1.891 7.684 1.00 0.51 H new ATOM 0 HD1 PHE A 35 6.300 -3.104 5.609 1.00 11.13 H new ATOM 0 HD2 PHE A 35 2.959 -0.467 5.770 1.00 45.21 H new ATOM 0 HE1 PHE A 35 6.247 -3.025 3.158 1.00 34.44 H new ATOM 0 HE2 PHE A 35 2.898 -0.397 3.315 1.00 50.21 H new ATOM 0 HZ PHE A 35 4.546 -1.671 2.005 1.00 21.31 H new ATOM 555 N PRO A 36 1.735 -1.987 8.674 1.00 1.50 N ATOM 556 CA PRO A 36 0.263 -1.820 8.670 1.00 61.03 C ATOM 557 C PRO A 36 -0.308 -1.276 7.344 1.00 65.14 C ATOM 558 O PRO A 36 0.222 -0.328 6.761 1.00 34.11 O ATOM 559 CB PRO A 36 0.011 -0.824 9.816 1.00 10.24 C ATOM 560 CG PRO A 36 1.310 -0.119 10.008 1.00 41.55 C ATOM 561 CD PRO A 36 2.374 -1.136 9.700 1.00 33.33 C ATOM 0 HA PRO A 36 -0.235 -2.782 8.792 1.00 61.03 H new ATOM 0 HB2 PRO A 36 -0.784 -0.123 9.562 1.00 10.24 H new ATOM 0 HB3 PRO A 36 -0.297 -1.339 10.726 1.00 10.24 H new ATOM 0 HG2 PRO A 36 1.389 0.743 9.346 1.00 41.55 H new ATOM 0 HG3 PRO A 36 1.407 0.252 11.028 1.00 41.55 H new ATOM 0 HD2 PRO A 36 3.284 -0.667 9.326 1.00 33.33 H new ATOM 0 HD3 PRO A 36 2.652 -1.710 10.584 1.00 33.33 H new ATOM 569 N THR A 37 -1.419 -1.873 6.898 1.00 34.33 N ATOM 570 CA THR A 37 -2.075 -1.494 5.636 1.00 54.04 C ATOM 571 C THR A 37 -2.652 -0.074 5.678 1.00 23.51 C ATOM 572 O THR A 37 -2.601 0.656 4.688 1.00 63.43 O ATOM 573 CB THR A 37 -3.224 -2.466 5.292 1.00 51.42 C ATOM 574 OG1 THR A 37 -4.189 -2.464 6.356 1.00 74.45 O ATOM 575 CG2 THR A 37 -2.698 -3.883 5.076 1.00 52.25 C ATOM 0 H THR A 37 -1.889 -2.629 7.397 1.00 34.33 H new ATOM 0 HA THR A 37 -1.297 -1.539 4.873 1.00 54.04 H new ATOM 0 HB THR A 37 -3.693 -2.132 4.367 1.00 51.42 H new ATOM 0 HG1 THR A 37 -4.921 -3.078 6.135 1.00 74.45 H new ATOM 0 HG21 THR A 37 -3.528 -4.547 4.835 1.00 52.25 H new ATOM 0 HG22 THR A 37 -1.982 -3.884 4.254 1.00 52.25 H new ATOM 0 HG23 THR A 37 -2.207 -4.231 5.985 1.00 52.25 H new ATOM 583 N ASP A 38 -3.212 0.308 6.822 1.00 52.11 N ATOM 584 CA ASP A 38 -3.767 1.651 7.000 1.00 14.41 C ATOM 585 C ASP A 38 -2.720 2.732 6.675 1.00 4.44 C ATOM 586 O ASP A 38 -3.011 3.709 5.983 1.00 63.43 O ATOM 587 CB ASP A 38 -4.295 1.816 8.431 1.00 61.21 C ATOM 588 CG ASP A 38 -3.241 1.493 9.478 1.00 14.01 C ATOM 589 OD1 ASP A 38 -3.131 0.316 9.879 1.00 54.32 O ATOM 590 OD2 ASP A 38 -2.509 2.415 9.896 1.00 31.30 O ATOM 0 H ASP A 38 -3.295 -0.293 7.642 1.00 52.11 H new ATOM 0 HA ASP A 38 -4.596 1.776 6.304 1.00 14.41 H new ATOM 0 HB2 ASP A 38 -4.641 2.840 8.572 1.00 61.21 H new ATOM 0 HB3 ASP A 38 -5.157 1.165 8.575 1.00 61.21 H new ATOM 595 N LYS A 39 -1.498 2.531 7.158 1.00 3.43 N ATOM 596 CA LYS A 39 -0.393 3.456 6.888 1.00 51.52 C ATOM 597 C LYS A 39 -0.182 3.657 5.376 1.00 60.02 C ATOM 598 O LYS A 39 0.079 4.771 4.917 1.00 12.43 O ATOM 599 CB LYS A 39 0.893 2.936 7.549 1.00 64.03 C ATOM 600 CG LYS A 39 2.123 3.789 7.260 1.00 31.25 C ATOM 601 CD LYS A 39 3.355 3.319 8.031 1.00 42.31 C ATOM 602 CE LYS A 39 3.184 3.486 9.538 1.00 1.43 C ATOM 603 NZ LYS A 39 4.428 3.155 10.280 1.00 41.01 N ATOM 0 H LYS A 39 -1.243 1.734 7.741 1.00 3.43 H new ATOM 0 HA LYS A 39 -0.648 4.427 7.313 1.00 51.52 H new ATOM 0 HB2 LYS A 39 0.742 2.887 8.627 1.00 64.03 H new ATOM 0 HB3 LYS A 39 1.080 1.918 7.207 1.00 64.03 H new ATOM 0 HG2 LYS A 39 2.336 3.764 6.191 1.00 31.25 H new ATOM 0 HG3 LYS A 39 1.911 4.826 7.518 1.00 31.25 H new ATOM 0 HD2 LYS A 39 3.548 2.271 7.802 1.00 42.31 H new ATOM 0 HD3 LYS A 39 4.227 3.883 7.700 1.00 42.31 H new ATOM 0 HE2 LYS A 39 2.893 4.513 9.758 1.00 1.43 H new ATOM 0 HE3 LYS A 39 2.374 2.844 9.884 1.00 1.43 H new ATOM 0 HZ1 LYS A 39 4.268 3.282 11.300 1.00 41.01 H new ATOM 0 HZ2 LYS A 39 4.692 2.167 10.091 1.00 41.01 H new ATOM 0 HZ3 LYS A 39 5.195 3.784 9.969 1.00 41.01 H new ATOM 617 N ILE A 40 -0.325 2.573 4.612 1.00 62.33 N ATOM 618 CA ILE A 40 -0.195 2.610 3.147 1.00 33.22 C ATOM 619 C ILE A 40 -1.096 3.687 2.518 1.00 75.52 C ATOM 620 O ILE A 40 -0.682 4.423 1.621 1.00 2.13 O ATOM 621 CB ILE A 40 -0.565 1.233 2.531 1.00 13.12 C ATOM 622 CG1 ILE A 40 0.364 0.130 3.065 1.00 5.33 C ATOM 623 CG2 ILE A 40 -0.519 1.286 1.006 1.00 61.44 C ATOM 624 CD1 ILE A 40 0.022 -1.264 2.568 1.00 1.32 C ATOM 0 H ILE A 40 -0.533 1.647 4.985 1.00 62.33 H new ATOM 0 HA ILE A 40 0.845 2.852 2.930 1.00 33.22 H new ATOM 0 HB ILE A 40 -1.586 0.994 2.829 1.00 13.12 H new ATOM 0 HG12 ILE A 40 1.390 0.364 2.780 1.00 5.33 H new ATOM 0 HG13 ILE A 40 0.327 0.135 4.154 1.00 5.33 H new ATOM 0 HG21 ILE A 40 -0.782 0.309 0.600 1.00 61.44 H new ATOM 0 HG22 ILE A 40 -1.228 2.032 0.646 1.00 61.44 H new ATOM 0 HG23 ILE A 40 0.486 1.555 0.681 1.00 61.44 H new ATOM 0 HD11 ILE A 40 0.724 -1.983 2.990 1.00 1.32 H new ATOM 0 HD12 ILE A 40 -0.991 -1.522 2.876 1.00 1.32 H new ATOM 0 HD13 ILE A 40 0.088 -1.289 1.480 1.00 1.32 H new ATOM 636 N VAL A 41 -2.331 3.770 3.001 1.00 62.41 N ATOM 637 CA VAL A 41 -3.329 4.678 2.433 1.00 23.52 C ATOM 638 C VAL A 41 -3.299 6.072 3.095 1.00 1.35 C ATOM 639 O VAL A 41 -3.664 7.072 2.471 1.00 70.34 O ATOM 640 CB VAL A 41 -4.752 4.075 2.572 1.00 10.33 C ATOM 641 CG1 VAL A 41 -5.794 4.928 1.846 1.00 31.41 C ATOM 642 CG2 VAL A 41 -4.779 2.634 2.057 1.00 4.12 C ATOM 0 H VAL A 41 -2.669 3.217 3.789 1.00 62.41 H new ATOM 0 HA VAL A 41 -3.078 4.801 1.379 1.00 23.52 H new ATOM 0 HB VAL A 41 -5.009 4.070 3.631 1.00 10.33 H new ATOM 0 HG11 VAL A 41 -6.779 4.477 1.964 1.00 31.41 H new ATOM 0 HG12 VAL A 41 -5.802 5.932 2.270 1.00 31.41 H new ATOM 0 HG13 VAL A 41 -5.545 4.983 0.786 1.00 31.41 H new ATOM 0 HG21 VAL A 41 -5.785 2.229 2.163 1.00 4.12 H new ATOM 0 HG22 VAL A 41 -4.490 2.618 1.006 1.00 4.12 H new ATOM 0 HG23 VAL A 41 -4.081 2.028 2.635 1.00 4.12 H new ATOM 652 N ASN A 42 -2.855 6.145 4.350 1.00 45.30 N ATOM 653 CA ASN A 42 -2.907 7.405 5.110 1.00 42.32 C ATOM 654 C ASN A 42 -1.625 8.257 4.991 1.00 52.51 C ATOM 655 O ASN A 42 -1.630 9.433 5.364 1.00 52.14 O ATOM 656 CB ASN A 42 -3.226 7.122 6.581 1.00 32.42 C ATOM 657 CG ASN A 42 -4.692 6.777 6.785 1.00 63.21 C ATOM 658 OD1 ASN A 42 -5.515 7.649 7.052 1.00 4.31 O ATOM 659 ND2 ASN A 42 -5.038 5.516 6.642 1.00 15.31 N ATOM 0 H ASN A 42 -2.458 5.357 4.862 1.00 45.30 H new ATOM 0 HA ASN A 42 -3.705 7.998 4.664 1.00 42.32 H new ATOM 0 HB2 ASN A 42 -2.606 6.298 6.935 1.00 32.42 H new ATOM 0 HB3 ASN A 42 -2.971 7.994 7.183 1.00 32.42 H new ATOM 0 HD21 ASN A 42 -6.013 5.239 6.753 1.00 15.31 H new ATOM 0 HD22 ASN A 42 -4.331 4.815 6.420 1.00 15.31 H new ATOM 666 N LEU A 43 -0.531 7.685 4.486 1.00 42.44 N ATOM 667 CA LEU A 43 0.693 8.469 4.246 1.00 54.30 C ATOM 668 C LEU A 43 0.637 9.208 2.897 1.00 52.15 C ATOM 669 O LEU A 43 0.077 8.700 1.919 1.00 53.22 O ATOM 670 CB LEU A 43 1.943 7.574 4.284 1.00 14.41 C ATOM 671 CG LEU A 43 2.357 7.062 5.674 1.00 53.51 C ATOM 672 CD1 LEU A 43 3.678 6.299 5.587 1.00 3.33 C ATOM 673 CD2 LEU A 43 2.460 8.212 6.675 1.00 24.01 C ATOM 0 H LEU A 43 -0.461 6.698 4.237 1.00 42.44 H new ATOM 0 HA LEU A 43 0.756 9.206 5.047 1.00 54.30 H new ATOM 0 HB2 LEU A 43 1.771 6.714 3.637 1.00 14.41 H new ATOM 0 HB3 LEU A 43 2.778 8.130 3.859 1.00 14.41 H new ATOM 0 HG LEU A 43 1.585 6.379 6.030 1.00 53.51 H new ATOM 0 HD11 LEU A 43 3.958 5.943 6.578 1.00 3.33 H new ATOM 0 HD12 LEU A 43 3.563 5.449 4.915 1.00 3.33 H new ATOM 0 HD13 LEU A 43 4.456 6.961 5.206 1.00 3.33 H new ATOM 0 HD21 LEU A 43 2.754 7.821 7.649 1.00 24.01 H new ATOM 0 HD22 LEU A 43 3.206 8.928 6.331 1.00 24.01 H new ATOM 0 HD23 LEU A 43 1.493 8.708 6.760 1.00 24.01 H new ATOM 685 N PRO A 44 1.209 10.429 2.824 1.00 65.42 N ATOM 686 CA PRO A 44 1.329 11.173 1.556 1.00 55.11 C ATOM 687 C PRO A 44 2.281 10.477 0.562 1.00 62.32 C ATOM 688 O PRO A 44 3.020 9.563 0.934 1.00 15.41 O ATOM 689 CB PRO A 44 1.877 12.542 1.995 1.00 52.53 C ATOM 690 CG PRO A 44 2.552 12.282 3.300 1.00 32.10 C ATOM 691 CD PRO A 44 1.765 11.184 3.963 1.00 13.54 C ATOM 0 HA PRO A 44 0.380 11.243 1.024 1.00 55.11 H new ATOM 0 HB2 PRO A 44 2.576 12.942 1.261 1.00 52.53 H new ATOM 0 HB3 PRO A 44 1.075 13.273 2.103 1.00 52.53 H new ATOM 0 HG2 PRO A 44 3.589 11.983 3.150 1.00 32.10 H new ATOM 0 HG3 PRO A 44 2.566 13.180 3.918 1.00 32.10 H new ATOM 0 HD2 PRO A 44 2.399 10.557 4.590 1.00 13.54 H new ATOM 0 HD3 PRO A 44 0.978 11.583 4.603 1.00 13.54 H new ATOM 699 N VAL A 45 2.266 10.917 -0.698 1.00 70.45 N ATOM 700 CA VAL A 45 3.002 10.225 -1.770 1.00 12.53 C ATOM 701 C VAL A 45 4.507 10.076 -1.463 1.00 3.24 C ATOM 702 O VAL A 45 5.089 9.017 -1.702 1.00 51.42 O ATOM 703 CB VAL A 45 2.805 10.930 -3.141 1.00 42.54 C ATOM 704 CG1 VAL A 45 3.360 12.354 -3.127 1.00 35.34 C ATOM 705 CG2 VAL A 45 3.430 10.109 -4.270 1.00 44.31 C ATOM 0 H VAL A 45 1.756 11.745 -1.005 1.00 70.45 H new ATOM 0 HA VAL A 45 2.579 9.222 -1.824 1.00 12.53 H new ATOM 0 HB VAL A 45 1.733 11.000 -3.324 1.00 42.54 H new ATOM 0 HG11 VAL A 45 3.204 12.815 -4.102 1.00 35.34 H new ATOM 0 HG12 VAL A 45 2.845 12.938 -2.364 1.00 35.34 H new ATOM 0 HG13 VAL A 45 4.427 12.327 -2.905 1.00 35.34 H new ATOM 0 HG21 VAL A 45 3.279 10.622 -5.220 1.00 44.31 H new ATOM 0 HG22 VAL A 45 4.498 9.992 -4.086 1.00 44.31 H new ATOM 0 HG23 VAL A 45 2.959 9.127 -4.310 1.00 44.31 H new ATOM 715 N ASP A 46 5.125 11.120 -0.913 1.00 74.35 N ATOM 716 CA ASP A 46 6.563 11.093 -0.607 1.00 2.53 C ATOM 717 C ASP A 46 6.897 10.075 0.500 1.00 11.53 C ATOM 718 O ASP A 46 7.703 9.168 0.290 1.00 23.24 O ATOM 719 CB ASP A 46 7.046 12.487 -0.209 1.00 62.14 C ATOM 720 CG ASP A 46 8.524 12.501 0.145 1.00 11.12 C ATOM 721 OD1 ASP A 46 9.359 12.324 -0.769 1.00 61.40 O ATOM 722 OD2 ASP A 46 8.857 12.702 1.330 1.00 34.34 O ATOM 0 H ASP A 46 4.659 11.994 -0.669 1.00 74.35 H new ATOM 0 HA ASP A 46 7.085 10.777 -1.510 1.00 2.53 H new ATOM 0 HB2 ASP A 46 6.864 13.181 -1.029 1.00 62.14 H new ATOM 0 HB3 ASP A 46 6.466 12.841 0.643 1.00 62.14 H new ATOM 727 N ASP A 47 6.278 10.233 1.673 1.00 4.35 N ATOM 728 CA ASP A 47 6.467 9.285 2.782 1.00 14.41 C ATOM 729 C ASP A 47 6.188 7.841 2.331 1.00 3.03 C ATOM 730 O ASP A 47 6.834 6.898 2.788 1.00 45.12 O ATOM 731 CB ASP A 47 5.558 9.653 3.963 1.00 11.24 C ATOM 732 CG ASP A 47 6.011 10.919 4.671 1.00 5.53 C ATOM 733 OD1 ASP A 47 5.655 12.026 4.217 1.00 62.35 O ATOM 734 OD2 ASP A 47 6.722 10.811 5.691 1.00 43.33 O ATOM 0 H ASP A 47 5.644 11.004 1.882 1.00 4.35 H new ATOM 0 HA ASP A 47 7.507 9.348 3.102 1.00 14.41 H new ATOM 0 HB2 ASP A 47 4.537 9.786 3.604 1.00 11.24 H new ATOM 0 HB3 ASP A 47 5.541 8.828 4.675 1.00 11.24 H new ATOM 739 N PHE A 48 5.229 7.686 1.423 1.00 62.42 N ATOM 740 CA PHE A 48 4.922 6.383 0.825 1.00 50.44 C ATOM 741 C PHE A 48 6.119 5.848 0.014 1.00 52.05 C ATOM 742 O PHE A 48 6.490 4.678 0.132 1.00 1.24 O ATOM 743 CB PHE A 48 3.686 6.510 -0.078 1.00 1.15 C ATOM 744 CG PHE A 48 3.322 5.242 -0.805 1.00 32.01 C ATOM 745 CD1 PHE A 48 2.549 4.269 -0.192 1.00 74.24 C ATOM 746 CD2 PHE A 48 3.751 5.025 -2.107 1.00 3.32 C ATOM 747 CE1 PHE A 48 2.217 3.108 -0.862 1.00 61.02 C ATOM 748 CE2 PHE A 48 3.421 3.867 -2.780 1.00 43.21 C ATOM 749 CZ PHE A 48 2.651 2.907 -2.156 1.00 53.12 C ATOM 0 H PHE A 48 4.646 8.450 1.081 1.00 62.42 H new ATOM 0 HA PHE A 48 4.716 5.674 1.627 1.00 50.44 H new ATOM 0 HB2 PHE A 48 2.837 6.825 0.529 1.00 1.15 H new ATOM 0 HB3 PHE A 48 3.864 7.298 -0.810 1.00 1.15 H new ATOM 0 HD1 PHE A 48 2.203 4.420 0.820 1.00 74.24 H new ATOM 0 HD2 PHE A 48 4.352 5.774 -2.601 1.00 3.32 H new ATOM 0 HE1 PHE A 48 1.616 2.356 -0.372 1.00 61.02 H new ATOM 0 HE2 PHE A 48 3.764 3.712 -3.792 1.00 43.21 H new ATOM 0 HZ PHE A 48 2.388 2.000 -2.680 1.00 53.12 H new ATOM 759 N ASN A 49 6.713 6.710 -0.813 1.00 0.11 N ATOM 760 CA ASN A 49 7.891 6.332 -1.608 1.00 73.45 C ATOM 761 C ASN A 49 9.034 5.838 -0.706 1.00 54.41 C ATOM 762 O ASN A 49 9.649 4.802 -0.968 1.00 24.41 O ATOM 763 CB ASN A 49 8.373 7.520 -2.447 1.00 73.31 C ATOM 764 CG ASN A 49 7.334 8.000 -3.441 1.00 13.21 C ATOM 765 OD1 ASN A 49 6.526 7.225 -3.948 1.00 44.53 O ATOM 766 ND2 ASN A 49 7.347 9.284 -3.736 1.00 13.32 N ATOM 0 H ASN A 49 6.402 7.671 -0.952 1.00 0.11 H new ATOM 0 HA ASN A 49 7.597 5.518 -2.271 1.00 73.45 H new ATOM 0 HB2 ASN A 49 8.641 8.342 -1.783 1.00 73.31 H new ATOM 0 HB3 ASN A 49 9.278 7.236 -2.984 1.00 73.31 H new ATOM 0 HD21 ASN A 49 6.673 9.661 -4.403 1.00 13.32 H new ATOM 0 HD22 ASN A 49 8.031 9.901 -3.298 1.00 13.32 H new ATOM 773 N GLU A 50 9.306 6.586 0.362 1.00 43.10 N ATOM 774 CA GLU A 50 10.346 6.204 1.325 1.00 41.13 C ATOM 775 C GLU A 50 9.940 4.939 2.104 1.00 72.20 C ATOM 776 O GLU A 50 10.782 4.107 2.442 1.00 62.13 O ATOM 777 CB GLU A 50 10.628 7.362 2.294 1.00 2.04 C ATOM 778 CG GLU A 50 11.021 8.666 1.601 1.00 3.02 C ATOM 779 CD GLU A 50 12.213 8.514 0.662 1.00 25.52 C ATOM 780 OE1 GLU A 50 13.368 8.497 1.147 1.00 35.31 O ATOM 781 OE2 GLU A 50 12.002 8.416 -0.567 1.00 75.00 O ATOM 0 H GLU A 50 8.825 7.457 0.585 1.00 43.10 H new ATOM 0 HA GLU A 50 11.257 5.981 0.770 1.00 41.13 H new ATOM 0 HB2 GLU A 50 9.741 7.538 2.902 1.00 2.04 H new ATOM 0 HB3 GLU A 50 11.428 7.068 2.974 1.00 2.04 H new ATOM 0 HG2 GLU A 50 10.168 9.041 1.036 1.00 3.02 H new ATOM 0 HG3 GLU A 50 11.256 9.415 2.357 1.00 3.02 H new ATOM 788 N LEU A 51 8.641 4.797 2.373 1.00 13.23 N ATOM 789 CA LEU A 51 8.104 3.602 3.035 1.00 23.44 C ATOM 790 C LEU A 51 8.491 2.329 2.266 1.00 75.23 C ATOM 791 O LEU A 51 9.012 1.374 2.846 1.00 51.35 O ATOM 792 CB LEU A 51 6.574 3.710 3.145 1.00 14.51 C ATOM 793 CG LEU A 51 5.871 2.568 3.897 1.00 61.32 C ATOM 794 CD1 LEU A 51 6.334 2.510 5.348 1.00 31.24 C ATOM 795 CD2 LEU A 51 4.353 2.727 3.818 1.00 11.05 C ATOM 0 H LEU A 51 7.936 5.497 2.142 1.00 13.23 H new ATOM 0 HA LEU A 51 8.533 3.538 4.035 1.00 23.44 H new ATOM 0 HB2 LEU A 51 6.331 4.649 3.641 1.00 14.51 H new ATOM 0 HB3 LEU A 51 6.160 3.765 2.138 1.00 14.51 H new ATOM 0 HG LEU A 51 6.141 1.627 3.418 1.00 61.32 H new ATOM 0 HD11 LEU A 51 5.823 1.695 5.861 1.00 31.24 H new ATOM 0 HD12 LEU A 51 7.410 2.341 5.380 1.00 31.24 H new ATOM 0 HD13 LEU A 51 6.100 3.453 5.843 1.00 31.24 H new ATOM 0 HD21 LEU A 51 3.873 1.909 4.356 1.00 11.05 H new ATOM 0 HD22 LEU A 51 4.063 3.677 4.267 1.00 11.05 H new ATOM 0 HD23 LEU A 51 4.039 2.708 2.774 1.00 11.05 H new ATOM 807 N LEU A 52 8.249 2.334 0.955 1.00 21.30 N ATOM 808 CA LEU A 52 8.629 1.212 0.085 1.00 4.14 C ATOM 809 C LEU A 52 10.145 0.938 0.146 1.00 13.21 C ATOM 810 O LEU A 52 10.592 -0.212 0.100 1.00 20.14 O ATOM 811 CB LEU A 52 8.222 1.506 -1.367 1.00 33.21 C ATOM 812 CG LEU A 52 6.722 1.761 -1.598 1.00 75.51 C ATOM 813 CD1 LEU A 52 6.456 2.111 -3.062 1.00 64.22 C ATOM 814 CD2 LEU A 52 5.894 0.548 -1.176 1.00 53.12 C ATOM 0 H LEU A 52 7.790 3.104 0.467 1.00 21.30 H new ATOM 0 HA LEU A 52 8.105 0.326 0.443 1.00 4.14 H new ATOM 0 HB2 LEU A 52 8.778 2.378 -1.712 1.00 33.21 H new ATOM 0 HB3 LEU A 52 8.529 0.665 -1.989 1.00 33.21 H new ATOM 0 HG LEU A 52 6.422 2.608 -0.982 1.00 75.51 H new ATOM 0 HD11 LEU A 52 5.390 2.288 -3.206 1.00 64.22 H new ATOM 0 HD12 LEU A 52 7.012 3.010 -3.328 1.00 64.22 H new ATOM 0 HD13 LEU A 52 6.776 1.285 -3.697 1.00 64.22 H new ATOM 0 HD21 LEU A 52 4.837 0.751 -1.348 1.00 53.12 H new ATOM 0 HD22 LEU A 52 6.197 -0.320 -1.761 1.00 53.12 H new ATOM 0 HD23 LEU A 52 6.057 0.347 -0.117 1.00 53.12 H new ATOM 826 N ALA A 53 10.926 2.009 0.251 1.00 75.44 N ATOM 827 CA ALA A 53 12.388 1.910 0.279 1.00 2.12 C ATOM 828 C ALA A 53 12.917 1.431 1.645 1.00 52.42 C ATOM 829 O ALA A 53 14.009 0.871 1.733 1.00 50.54 O ATOM 830 CB ALA A 53 12.999 3.260 -0.079 1.00 71.22 C ATOM 0 H ALA A 53 10.571 2.963 0.319 1.00 75.44 H new ATOM 0 HA ALA A 53 12.683 1.162 -0.457 1.00 2.12 H new ATOM 0 HB1 ALA A 53 14.086 3.184 -0.058 1.00 71.22 H new ATOM 0 HB2 ALA A 53 12.675 3.553 -1.078 1.00 71.22 H new ATOM 0 HB3 ALA A 53 12.673 4.010 0.642 1.00 71.22 H new ATOM 836 N ARG A 54 12.140 1.650 2.703 1.00 61.33 N ATOM 837 CA ARG A 54 12.559 1.284 4.067 1.00 3.03 C ATOM 838 C ARG A 54 12.251 -0.183 4.417 1.00 11.32 C ATOM 839 O ARG A 54 12.596 -0.654 5.506 1.00 21.42 O ATOM 840 CB ARG A 54 11.888 2.214 5.087 1.00 2.02 C ATOM 841 CG ARG A 54 12.426 3.641 5.068 1.00 15.13 C ATOM 842 CD ARG A 54 11.709 4.528 6.079 1.00 14.54 C ATOM 843 NE ARG A 54 12.313 5.855 6.162 1.00 2.45 N ATOM 844 CZ ARG A 54 11.701 6.922 6.596 1.00 1.23 C ATOM 845 NH1 ARG A 54 10.466 6.869 6.979 1.00 73.20 N ATOM 846 NH2 ARG A 54 12.329 8.050 6.648 1.00 24.03 N ATOM 0 H ARG A 54 11.216 2.079 2.649 1.00 61.33 H new ATOM 0 HA ARG A 54 13.642 1.400 4.107 1.00 3.03 H new ATOM 0 HB2 ARG A 54 10.816 2.238 4.892 1.00 2.02 H new ATOM 0 HB3 ARG A 54 12.022 1.799 6.086 1.00 2.02 H new ATOM 0 HG2 ARG A 54 13.494 3.630 5.286 1.00 15.13 H new ATOM 0 HG3 ARG A 54 12.309 4.061 4.069 1.00 15.13 H new ATOM 0 HD2 ARG A 54 10.660 4.623 5.799 1.00 14.54 H new ATOM 0 HD3 ARG A 54 11.735 4.055 7.061 1.00 14.54 H new ATOM 0 HE ARG A 54 13.282 5.955 5.859 1.00 2.45 H new ATOM 0 HH11 ARG A 54 9.959 5.985 6.944 1.00 73.20 H new ATOM 0 HH12 ARG A 54 10.000 7.711 7.316 1.00 73.20 H new ATOM 0 HH21 ARG A 54 13.303 8.106 6.350 1.00 24.03 H new ATOM 0 HH22 ARG A 54 11.851 8.885 6.987 1.00 24.03 H new ATOM 860 N TYR A 55 11.601 -0.903 3.509 1.00 31.24 N ATOM 861 CA TYR A 55 11.243 -2.310 3.751 1.00 33.34 C ATOM 862 C TYR A 55 11.759 -3.244 2.640 1.00 2.33 C ATOM 863 O TYR A 55 11.867 -2.844 1.479 1.00 22.20 O ATOM 864 CB TYR A 55 9.720 -2.443 3.902 1.00 63.20 C ATOM 865 CG TYR A 55 9.200 -1.925 5.233 1.00 75.43 C ATOM 866 CD1 TYR A 55 9.121 -2.767 6.338 1.00 31.41 C ATOM 867 CD2 TYR A 55 8.805 -0.600 5.393 1.00 14.30 C ATOM 868 CE1 TYR A 55 8.660 -2.311 7.555 1.00 73.22 C ATOM 869 CE2 TYR A 55 8.341 -0.137 6.610 1.00 41.23 C ATOM 870 CZ TYR A 55 8.274 -0.996 7.689 1.00 24.22 C ATOM 871 OH TYR A 55 7.815 -0.539 8.904 1.00 3.32 O ATOM 0 H TYR A 55 11.309 -0.544 2.600 1.00 31.24 H new ATOM 0 HA TYR A 55 11.729 -2.619 4.677 1.00 33.34 H new ATOM 0 HB2 TYR A 55 9.233 -1.899 3.093 1.00 63.20 H new ATOM 0 HB3 TYR A 55 9.441 -3.491 3.794 1.00 63.20 H new ATOM 0 HD1 TYR A 55 9.427 -3.798 6.241 1.00 31.41 H new ATOM 0 HD2 TYR A 55 8.862 0.077 4.553 1.00 14.30 H new ATOM 0 HE1 TYR A 55 8.602 -2.982 8.399 1.00 73.22 H new ATOM 0 HE2 TYR A 55 8.032 0.892 6.716 1.00 41.23 H new ATOM 0 HH TYR A 55 7.585 0.411 8.830 1.00 3.32 H new ATOM 881 N PRO A 56 12.082 -4.513 2.990 1.00 13.14 N ATOM 882 CA PRO A 56 12.619 -5.512 2.038 1.00 40.11 C ATOM 883 C PRO A 56 11.544 -6.095 1.098 1.00 3.53 C ATOM 884 O PRO A 56 11.526 -7.298 0.823 1.00 24.41 O ATOM 885 CB PRO A 56 13.186 -6.621 2.961 1.00 14.32 C ATOM 886 CG PRO A 56 13.081 -6.089 4.357 1.00 31.42 C ATOM 887 CD PRO A 56 11.970 -5.082 4.341 1.00 41.24 C ATOM 0 HA PRO A 56 13.356 -5.067 1.370 1.00 40.11 H new ATOM 0 HB2 PRO A 56 12.620 -7.546 2.852 1.00 14.32 H new ATOM 0 HB3 PRO A 56 14.221 -6.849 2.707 1.00 14.32 H new ATOM 0 HG2 PRO A 56 12.869 -6.891 5.064 1.00 31.42 H new ATOM 0 HG3 PRO A 56 14.018 -5.629 4.669 1.00 31.42 H new ATOM 0 HD2 PRO A 56 10.998 -5.546 4.507 1.00 41.24 H new ATOM 0 HD3 PRO A 56 12.097 -4.324 5.113 1.00 41.24 H new ATOM 895 N LEU A 57 10.669 -5.236 0.589 1.00 30.53 N ATOM 896 CA LEU A 57 9.571 -5.668 -0.280 1.00 60.54 C ATOM 897 C LEU A 57 10.079 -6.143 -1.650 1.00 3.43 C ATOM 898 O LEU A 57 10.958 -5.520 -2.253 1.00 73.25 O ATOM 899 CB LEU A 57 8.578 -4.514 -0.478 1.00 4.11 C ATOM 900 CG LEU A 57 7.931 -3.964 0.804 1.00 14.41 C ATOM 901 CD1 LEU A 57 7.050 -2.757 0.485 1.00 71.04 C ATOM 902 CD2 LEU A 57 7.123 -5.050 1.512 1.00 41.02 C ATOM 0 H LEU A 57 10.695 -4.231 0.762 1.00 30.53 H new ATOM 0 HA LEU A 57 9.077 -6.509 0.208 1.00 60.54 H new ATOM 0 HB2 LEU A 57 9.095 -3.697 -0.982 1.00 4.11 H new ATOM 0 HB3 LEU A 57 7.786 -4.851 -1.147 1.00 4.11 H new ATOM 0 HG LEU A 57 8.726 -3.641 1.476 1.00 14.41 H new ATOM 0 HD11 LEU A 57 6.601 -2.381 1.404 1.00 71.04 H new ATOM 0 HD12 LEU A 57 7.657 -1.973 0.031 1.00 71.04 H new ATOM 0 HD13 LEU A 57 6.263 -3.054 -0.208 1.00 71.04 H new ATOM 0 HD21 LEU A 57 6.674 -4.639 2.416 1.00 41.02 H new ATOM 0 HD22 LEU A 57 6.337 -5.410 0.848 1.00 41.02 H new ATOM 0 HD23 LEU A 57 7.780 -5.878 1.778 1.00 41.02 H new ATOM 914 N THR A 58 9.530 -7.253 -2.131 1.00 21.21 N ATOM 915 CA THR A 58 9.806 -7.720 -3.496 1.00 54.34 C ATOM 916 C THR A 58 9.108 -6.811 -4.513 1.00 61.13 C ATOM 917 O THR A 58 8.135 -6.135 -4.176 1.00 1.15 O ATOM 918 CB THR A 58 9.317 -9.171 -3.727 1.00 4.23 C ATOM 919 OG1 THR A 58 7.879 -9.211 -3.768 1.00 73.34 O ATOM 920 CG2 THR A 58 9.820 -10.100 -2.628 1.00 10.41 C ATOM 0 H THR A 58 8.892 -7.849 -1.602 1.00 21.21 H new ATOM 0 HA THR A 58 10.888 -7.691 -3.627 1.00 54.34 H new ATOM 0 HB THR A 58 9.718 -9.511 -4.682 1.00 4.23 H new ATOM 0 HG1 THR A 58 7.566 -10.080 -3.441 1.00 73.34 H new ATOM 0 HG21 THR A 58 9.462 -11.112 -2.815 1.00 10.41 H new ATOM 0 HG22 THR A 58 10.910 -10.097 -2.619 1.00 10.41 H new ATOM 0 HG23 THR A 58 9.448 -9.756 -1.663 1.00 10.41 H new ATOM 928 N GLU A 59 9.594 -6.800 -5.754 1.00 61.45 N ATOM 929 CA GLU A 59 8.982 -5.986 -6.818 1.00 35.42 C ATOM 930 C GLU A 59 7.456 -6.196 -6.879 1.00 44.51 C ATOM 931 O GLU A 59 6.690 -5.249 -7.090 1.00 12.52 O ATOM 932 CB GLU A 59 9.617 -6.335 -8.171 1.00 22.23 C ATOM 933 CG GLU A 59 11.116 -6.057 -8.240 1.00 3.43 C ATOM 934 CD GLU A 59 11.740 -6.531 -9.543 1.00 64.30 C ATOM 935 OE1 GLU A 59 11.506 -5.888 -10.588 1.00 32.13 O ATOM 936 OE2 GLU A 59 12.468 -7.548 -9.530 1.00 34.34 O ATOM 0 H GLU A 59 10.406 -7.341 -6.052 1.00 61.45 H new ATOM 0 HA GLU A 59 9.166 -4.936 -6.590 1.00 35.42 H new ATOM 0 HB2 GLU A 59 9.443 -7.390 -8.382 1.00 22.23 H new ATOM 0 HB3 GLU A 59 9.115 -5.767 -8.954 1.00 22.23 H new ATOM 0 HG2 GLU A 59 11.289 -4.987 -8.127 1.00 3.43 H new ATOM 0 HG3 GLU A 59 11.612 -6.550 -7.404 1.00 3.43 H new ATOM 943 N SER A 60 7.028 -7.440 -6.674 1.00 54.10 N ATOM 944 CA SER A 60 5.600 -7.778 -6.616 1.00 12.13 C ATOM 945 C SER A 60 4.920 -7.130 -5.399 1.00 35.10 C ATOM 946 O SER A 60 3.787 -6.649 -5.489 1.00 23.41 O ATOM 947 CB SER A 60 5.409 -9.302 -6.565 1.00 53.41 C ATOM 948 OG SER A 60 4.032 -9.652 -6.510 1.00 62.45 O ATOM 0 H SER A 60 7.651 -8.237 -6.544 1.00 54.10 H new ATOM 0 HA SER A 60 5.133 -7.387 -7.520 1.00 12.13 H new ATOM 0 HB2 SER A 60 5.866 -9.757 -7.444 1.00 53.41 H new ATOM 0 HB3 SER A 60 5.923 -9.705 -5.693 1.00 53.41 H new ATOM 0 HG SER A 60 3.943 -10.628 -6.480 1.00 62.45 H new ATOM 954 N GLN A 61 5.618 -7.104 -4.261 1.00 75.23 N ATOM 955 CA GLN A 61 5.068 -6.505 -3.039 1.00 4.14 C ATOM 956 C GLN A 61 4.869 -4.987 -3.183 1.00 65.54 C ATOM 957 O GLN A 61 3.846 -4.460 -2.752 1.00 71.35 O ATOM 958 CB GLN A 61 5.951 -6.815 -1.823 1.00 63.44 C ATOM 959 CG GLN A 61 5.974 -8.292 -1.441 1.00 12.42 C ATOM 960 CD GLN A 61 6.742 -8.558 -0.157 1.00 72.44 C ATOM 961 OE1 GLN A 61 7.946 -8.782 -0.172 1.00 32.41 O ATOM 962 NE2 GLN A 61 6.050 -8.541 0.962 1.00 2.34 N ATOM 0 H GLN A 61 6.558 -7.487 -4.158 1.00 75.23 H new ATOM 0 HA GLN A 61 4.088 -6.955 -2.879 1.00 4.14 H new ATOM 0 HB2 GLN A 61 6.969 -6.487 -2.032 1.00 63.44 H new ATOM 0 HB3 GLN A 61 5.597 -6.234 -0.971 1.00 63.44 H new ATOM 0 HG2 GLN A 61 4.950 -8.649 -1.327 1.00 12.42 H new ATOM 0 HG3 GLN A 61 6.423 -8.865 -2.252 1.00 12.42 H new ATOM 0 HE21 GLN A 61 5.048 -8.351 0.939 1.00 2.34 H new ATOM 0 HE22 GLN A 61 6.515 -8.718 1.852 1.00 2.34 H new ATOM 971 N LEU A 62 5.833 -4.281 -3.792 1.00 60.33 N ATOM 972 CA LEU A 62 5.664 -2.838 -4.054 1.00 62.54 C ATOM 973 C LEU A 62 4.403 -2.585 -4.891 1.00 35.33 C ATOM 974 O LEU A 62 3.658 -1.635 -4.644 1.00 23.12 O ATOM 975 CB LEU A 62 6.885 -2.228 -4.772 1.00 62.34 C ATOM 976 CG LEU A 62 8.141 -2.007 -3.905 1.00 11.41 C ATOM 977 CD1 LEU A 62 8.901 -3.309 -3.689 1.00 65.33 C ATOM 978 CD2 LEU A 62 9.050 -0.949 -4.528 1.00 4.32 C ATOM 0 H LEU A 62 6.721 -4.672 -4.108 1.00 60.33 H new ATOM 0 HA LEU A 62 5.566 -2.352 -3.083 1.00 62.54 H new ATOM 0 HB2 LEU A 62 7.153 -2.878 -5.605 1.00 62.34 H new ATOM 0 HB3 LEU A 62 6.589 -1.269 -5.198 1.00 62.34 H new ATOM 0 HG LEU A 62 7.812 -1.647 -2.930 1.00 11.41 H new ATOM 0 HD11 LEU A 62 9.781 -3.119 -3.074 1.00 65.33 H new ATOM 0 HD12 LEU A 62 8.255 -4.028 -3.186 1.00 65.33 H new ATOM 0 HD13 LEU A 62 9.212 -3.713 -4.652 1.00 65.33 H new ATOM 0 HD21 LEU A 62 9.930 -0.809 -3.900 1.00 4.32 H new ATOM 0 HD22 LEU A 62 9.361 -1.275 -5.520 1.00 4.32 H new ATOM 0 HD23 LEU A 62 8.509 -0.006 -4.609 1.00 4.32 H new ATOM 990 N ALA A 63 4.175 -3.444 -5.881 1.00 34.42 N ATOM 991 CA ALA A 63 2.965 -3.374 -6.705 1.00 10.33 C ATOM 992 C ALA A 63 1.698 -3.577 -5.857 1.00 11.53 C ATOM 993 O ALA A 63 0.718 -2.850 -6.012 1.00 50.12 O ATOM 994 CB ALA A 63 3.027 -4.406 -7.823 1.00 42.11 C ATOM 0 H ALA A 63 4.812 -4.199 -6.135 1.00 34.42 H new ATOM 0 HA ALA A 63 2.916 -2.378 -7.146 1.00 10.33 H new ATOM 0 HB1 ALA A 63 2.122 -4.343 -8.427 1.00 42.11 H new ATOM 0 HB2 ALA A 63 3.897 -4.211 -8.451 1.00 42.11 H new ATOM 0 HB3 ALA A 63 3.107 -5.404 -7.393 1.00 42.11 H new ATOM 1000 N LEU A 64 1.735 -4.564 -4.957 1.00 63.43 N ATOM 1001 CA LEU A 64 0.607 -4.839 -4.055 1.00 71.43 C ATOM 1002 C LEU A 64 0.323 -3.641 -3.136 1.00 42.14 C ATOM 1003 O LEU A 64 -0.813 -3.190 -3.029 1.00 33.02 O ATOM 1004 CB LEU A 64 0.883 -6.086 -3.202 1.00 54.22 C ATOM 1005 CG LEU A 64 -0.233 -6.456 -2.208 1.00 52.32 C ATOM 1006 CD1 LEU A 64 -1.517 -6.835 -2.943 1.00 51.10 C ATOM 1007 CD2 LEU A 64 0.220 -7.578 -1.278 1.00 35.31 C ATOM 0 H LEU A 64 2.533 -5.187 -4.832 1.00 63.43 H new ATOM 0 HA LEU A 64 -0.270 -5.017 -4.677 1.00 71.43 H new ATOM 0 HB2 LEU A 64 1.051 -6.933 -3.867 1.00 54.22 H new ATOM 0 HB3 LEU A 64 1.807 -5.930 -2.645 1.00 54.22 H new ATOM 0 HG LEU A 64 -0.447 -5.579 -1.597 1.00 52.32 H new ATOM 0 HD11 LEU A 64 -2.289 -7.092 -2.218 1.00 51.10 H new ATOM 0 HD12 LEU A 64 -1.853 -5.992 -3.547 1.00 51.10 H new ATOM 0 HD13 LEU A 64 -1.327 -7.692 -3.589 1.00 51.10 H new ATOM 0 HD21 LEU A 64 -0.584 -7.823 -0.584 1.00 35.31 H new ATOM 0 HD22 LEU A 64 0.472 -8.460 -1.867 1.00 35.31 H new ATOM 0 HD23 LEU A 64 1.097 -7.254 -0.717 1.00 35.31 H new ATOM 1019 N VAL A 65 1.366 -3.131 -2.478 1.00 34.31 N ATOM 1020 CA VAL A 65 1.238 -1.963 -1.595 1.00 41.32 C ATOM 1021 C VAL A 65 0.634 -0.764 -2.349 1.00 74.23 C ATOM 1022 O VAL A 65 -0.277 -0.095 -1.858 1.00 65.45 O ATOM 1023 CB VAL A 65 2.614 -1.565 -0.995 1.00 23.02 C ATOM 1024 CG1 VAL A 65 2.489 -0.326 -0.108 1.00 1.23 C ATOM 1025 CG2 VAL A 65 3.217 -2.736 -0.214 1.00 40.40 C ATOM 0 H VAL A 65 2.312 -3.507 -2.538 1.00 34.31 H new ATOM 0 HA VAL A 65 0.567 -2.240 -0.782 1.00 41.32 H new ATOM 0 HB VAL A 65 3.285 -1.319 -1.818 1.00 23.02 H new ATOM 0 HG11 VAL A 65 3.467 -0.070 0.299 1.00 1.23 H new ATOM 0 HG12 VAL A 65 2.112 0.508 -0.699 1.00 1.23 H new ATOM 0 HG13 VAL A 65 1.799 -0.532 0.710 1.00 1.23 H new ATOM 0 HG21 VAL A 65 4.181 -2.440 0.200 1.00 40.40 H new ATOM 0 HG22 VAL A 65 2.545 -3.017 0.597 1.00 40.40 H new ATOM 0 HG23 VAL A 65 3.355 -3.586 -0.882 1.00 40.40 H new ATOM 1035 N ARG A 66 1.144 -0.509 -3.555 1.00 35.32 N ATOM 1036 CA ARG A 66 0.605 0.546 -4.419 1.00 15.01 C ATOM 1037 C ARG A 66 -0.858 0.270 -4.800 1.00 25.15 C ATOM 1038 O ARG A 66 -1.671 1.194 -4.887 1.00 41.21 O ATOM 1039 CB ARG A 66 1.461 0.681 -5.687 1.00 64.51 C ATOM 1040 CG ARG A 66 2.834 1.303 -5.436 1.00 32.20 C ATOM 1041 CD ARG A 66 3.697 1.314 -6.694 1.00 14.32 C ATOM 1042 NE ARG A 66 4.901 2.131 -6.520 1.00 43.41 N ATOM 1043 CZ ARG A 66 6.103 1.775 -6.890 1.00 73.34 C ATOM 1044 NH1 ARG A 66 6.319 0.619 -7.427 1.00 22.54 N ATOM 1045 NH2 ARG A 66 7.088 2.592 -6.721 1.00 54.41 N ATOM 0 H ARG A 66 1.931 -1.019 -3.957 1.00 35.32 H new ATOM 0 HA ARG A 66 0.636 1.482 -3.860 1.00 15.01 H new ATOM 0 HB2 ARG A 66 1.594 -0.305 -6.132 1.00 64.51 H new ATOM 0 HB3 ARG A 66 0.924 1.289 -6.415 1.00 64.51 H new ATOM 0 HG2 ARG A 66 2.709 2.323 -5.074 1.00 32.20 H new ATOM 0 HG3 ARG A 66 3.346 0.747 -4.651 1.00 32.20 H new ATOM 0 HD2 ARG A 66 3.984 0.293 -6.947 1.00 14.32 H new ATOM 0 HD3 ARG A 66 3.114 1.699 -7.531 1.00 14.32 H new ATOM 0 HE ARG A 66 4.793 3.044 -6.078 1.00 43.41 H new ATOM 0 HH11 ARG A 66 5.545 -0.031 -7.568 1.00 22.54 H new ATOM 0 HH12 ARG A 66 7.263 0.357 -7.710 1.00 22.54 H new ATOM 0 HH21 ARG A 66 6.925 3.507 -6.302 1.00 54.41 H new ATOM 0 HH22 ARG A 66 8.029 2.322 -7.007 1.00 54.41 H new ATOM 1059 N ASP A 67 -1.188 -1.002 -5.018 1.00 44.11 N ATOM 1060 CA ASP A 67 -2.556 -1.402 -5.356 1.00 51.23 C ATOM 1061 C ASP A 67 -3.506 -1.184 -4.164 1.00 61.02 C ATOM 1062 O ASP A 67 -4.596 -0.645 -4.326 1.00 53.14 O ATOM 1063 CB ASP A 67 -2.586 -2.869 -5.800 1.00 43.01 C ATOM 1064 CG ASP A 67 -3.941 -3.276 -6.352 1.00 21.41 C ATOM 1065 OD1 ASP A 67 -4.204 -3.007 -7.540 1.00 63.22 O ATOM 1066 OD2 ASP A 67 -4.757 -3.844 -5.595 1.00 73.12 O ATOM 0 H ASP A 67 -0.526 -1.776 -4.967 1.00 44.11 H new ATOM 0 HA ASP A 67 -2.899 -0.777 -6.181 1.00 51.23 H new ATOM 0 HB2 ASP A 67 -1.822 -3.032 -6.561 1.00 43.01 H new ATOM 0 HB3 ASP A 67 -2.334 -3.508 -4.954 1.00 43.01 H new ATOM 1071 N ILE A 68 -3.079 -1.598 -2.968 1.00 71.22 N ATOM 1072 CA ILE A 68 -3.867 -1.393 -1.742 1.00 71.24 C ATOM 1073 C ILE A 68 -4.232 0.091 -1.563 1.00 40.24 C ATOM 1074 O ILE A 68 -5.390 0.437 -1.307 1.00 34.52 O ATOM 1075 CB ILE A 68 -3.095 -1.894 -0.489 1.00 3.53 C ATOM 1076 CG1 ILE A 68 -2.819 -3.406 -0.598 1.00 35.30 C ATOM 1077 CG2 ILE A 68 -3.867 -1.571 0.793 1.00 45.30 C ATOM 1078 CD1 ILE A 68 -2.024 -3.975 0.561 1.00 43.05 C ATOM 0 H ILE A 68 -2.191 -2.078 -2.819 1.00 71.22 H new ATOM 0 HA ILE A 68 -4.784 -1.973 -1.845 1.00 71.24 H new ATOM 0 HB ILE A 68 -2.139 -1.373 -0.443 1.00 3.53 H new ATOM 0 HG12 ILE A 68 -3.770 -3.934 -0.666 1.00 35.30 H new ATOM 0 HG13 ILE A 68 -2.279 -3.600 -1.525 1.00 35.30 H new ATOM 0 HG21 ILE A 68 -3.307 -1.931 1.656 1.00 45.30 H new ATOM 0 HG22 ILE A 68 -4.003 -0.493 0.874 1.00 45.30 H new ATOM 0 HG23 ILE A 68 -4.841 -2.059 0.764 1.00 45.30 H new ATOM 0 HD11 ILE A 68 -1.872 -5.044 0.408 1.00 43.05 H new ATOM 0 HD12 ILE A 68 -1.057 -3.476 0.619 1.00 43.05 H new ATOM 0 HD13 ILE A 68 -2.571 -3.815 1.490 1.00 43.05 H new ATOM 1090 N ARG A 69 -3.233 0.960 -1.713 1.00 63.52 N ATOM 1091 CA ARG A 69 -3.454 2.411 -1.687 1.00 74.40 C ATOM 1092 C ARG A 69 -4.388 2.844 -2.830 1.00 40.13 C ATOM 1093 O ARG A 69 -5.271 3.686 -2.651 1.00 65.22 O ATOM 1094 CB ARG A 69 -2.112 3.149 -1.807 1.00 63.20 C ATOM 1095 CG ARG A 69 -2.232 4.665 -1.686 1.00 15.21 C ATOM 1096 CD ARG A 69 -0.892 5.364 -1.891 1.00 61.04 C ATOM 1097 NE ARG A 69 -0.376 5.188 -3.250 1.00 52.41 N ATOM 1098 CZ ARG A 69 0.671 5.810 -3.723 1.00 44.32 C ATOM 1099 NH1 ARG A 69 1.307 6.679 -3.002 1.00 43.30 N ATOM 1100 NH2 ARG A 69 1.070 5.573 -4.930 1.00 31.44 N ATOM 0 H ARG A 69 -2.260 0.687 -1.854 1.00 63.52 H new ATOM 0 HA ARG A 69 -3.926 2.667 -0.738 1.00 74.40 H new ATOM 0 HB2 ARG A 69 -1.437 2.784 -1.033 1.00 63.20 H new ATOM 0 HB3 ARG A 69 -1.658 2.905 -2.767 1.00 63.20 H new ATOM 0 HG2 ARG A 69 -2.948 5.032 -2.422 1.00 15.21 H new ATOM 0 HG3 ARG A 69 -2.627 4.920 -0.702 1.00 15.21 H new ATOM 0 HD2 ARG A 69 -1.004 6.428 -1.682 1.00 61.04 H new ATOM 0 HD3 ARG A 69 -0.168 4.973 -1.176 1.00 61.04 H new ATOM 0 HE ARG A 69 -0.865 4.539 -3.866 1.00 52.41 H new ATOM 0 HH11 ARG A 69 0.991 6.884 -2.054 1.00 43.30 H new ATOM 0 HH12 ARG A 69 2.123 7.158 -3.383 1.00 43.30 H new ATOM 0 HH21 ARG A 69 0.568 4.902 -5.511 1.00 31.44 H new ATOM 0 HH22 ARG A 69 1.887 6.057 -5.301 1.00 31.44 H new ATOM 1114 N ARG A 70 -4.181 2.246 -4.000 1.00 24.32 N ATOM 1115 CA ARG A 70 -4.966 2.553 -5.200 1.00 31.14 C ATOM 1116 C ARG A 70 -6.461 2.256 -4.980 1.00 20.34 C ATOM 1117 O ARG A 70 -7.320 3.060 -5.338 1.00 73.12 O ATOM 1118 CB ARG A 70 -4.423 1.724 -6.372 1.00 25.24 C ATOM 1119 CG ARG A 70 -4.883 2.177 -7.755 1.00 43.25 C ATOM 1120 CD ARG A 70 -4.356 1.248 -8.849 1.00 0.42 C ATOM 1121 NE ARG A 70 -4.555 1.797 -10.188 1.00 55.13 N ATOM 1122 CZ ARG A 70 -4.864 1.087 -11.238 1.00 71.11 C ATOM 1123 NH1 ARG A 70 -5.086 -0.187 -11.137 1.00 51.12 N ATOM 1124 NH2 ARG A 70 -4.955 1.657 -12.391 1.00 41.11 N ATOM 0 H ARG A 70 -3.465 1.534 -4.147 1.00 24.32 H new ATOM 0 HA ARG A 70 -4.874 3.616 -5.423 1.00 31.14 H new ATOM 0 HB2 ARG A 70 -3.334 1.751 -6.342 1.00 25.24 H new ATOM 0 HB3 ARG A 70 -4.720 0.685 -6.230 1.00 25.24 H new ATOM 0 HG2 ARG A 70 -5.972 2.200 -7.789 1.00 43.25 H new ATOM 0 HG3 ARG A 70 -4.537 3.194 -7.941 1.00 43.25 H new ATOM 0 HD2 ARG A 70 -3.293 1.067 -8.688 1.00 0.42 H new ATOM 0 HD3 ARG A 70 -4.858 0.283 -8.776 1.00 0.42 H new ATOM 0 HE ARG A 70 -4.445 2.804 -10.310 1.00 55.13 H new ATOM 0 HH11 ARG A 70 -5.020 -0.646 -10.228 1.00 51.12 H new ATOM 0 HH12 ARG A 70 -5.327 -0.730 -11.966 1.00 51.12 H new ATOM 0 HH21 ARG A 70 -4.786 2.659 -12.479 1.00 41.11 H new ATOM 0 HH22 ARG A 70 -5.196 1.106 -13.215 1.00 41.11 H new ATOM 1138 N ARG A 71 -6.758 1.100 -4.377 1.00 3.12 N ATOM 1139 CA ARG A 71 -8.144 0.705 -4.086 1.00 63.23 C ATOM 1140 C ARG A 71 -8.781 1.660 -3.066 1.00 51.30 C ATOM 1141 O ARG A 71 -9.904 2.129 -3.255 1.00 21.12 O ATOM 1142 CB ARG A 71 -8.197 -0.737 -3.546 1.00 1.05 C ATOM 1143 CG ARG A 71 -7.481 -1.761 -4.422 1.00 52.40 C ATOM 1144 CD ARG A 71 -8.107 -1.884 -5.811 1.00 5.21 C ATOM 1145 NE ARG A 71 -7.244 -2.620 -6.728 1.00 44.22 N ATOM 1146 CZ ARG A 71 -7.475 -2.769 -8.003 1.00 45.14 C ATOM 1147 NH1 ARG A 71 -8.577 -2.339 -8.535 1.00 22.13 N ATOM 1148 NH2 ARG A 71 -6.603 -3.366 -8.742 1.00 11.23 N ATOM 0 H ARG A 71 -6.058 0.420 -4.080 1.00 3.12 H new ATOM 0 HA ARG A 71 -8.707 0.757 -5.018 1.00 63.23 H new ATOM 0 HB2 ARG A 71 -7.755 -0.756 -2.550 1.00 1.05 H new ATOM 0 HB3 ARG A 71 -9.240 -1.034 -3.438 1.00 1.05 H new ATOM 0 HG2 ARG A 71 -6.433 -1.478 -4.523 1.00 52.40 H new ATOM 0 HG3 ARG A 71 -7.503 -2.733 -3.930 1.00 52.40 H new ATOM 0 HD2 ARG A 71 -9.070 -2.389 -5.733 1.00 5.21 H new ATOM 0 HD3 ARG A 71 -8.300 -0.889 -6.212 1.00 5.21 H new ATOM 0 HE ARG A 71 -6.401 -3.048 -6.345 1.00 44.22 H new ATOM 0 HH11 ARG A 71 -9.277 -1.877 -7.955 1.00 22.13 H new ATOM 0 HH12 ARG A 71 -8.743 -2.463 -9.534 1.00 22.13 H new ATOM 0 HH21 ARG A 71 -5.740 -3.718 -8.329 1.00 11.23 H new ATOM 0 HH22 ARG A 71 -6.777 -3.486 -9.740 1.00 11.23 H new ATOM 1162 N GLY A 72 -8.042 1.952 -1.996 1.00 61.14 N ATOM 1163 CA GLY A 72 -8.533 2.852 -0.959 1.00 1.34 C ATOM 1164 C GLY A 72 -8.794 4.273 -1.459 1.00 53.05 C ATOM 1165 O GLY A 72 -9.781 4.901 -1.077 1.00 34.11 O ATOM 0 H GLY A 72 -7.107 1.580 -1.827 1.00 61.14 H new ATOM 0 HA2 GLY A 72 -9.455 2.446 -0.544 1.00 1.34 H new ATOM 0 HA3 GLY A 72 -7.807 2.889 -0.147 1.00 1.34 H new ATOM 1169 N LYS A 73 -7.909 4.785 -2.315 1.00 52.21 N ATOM 1170 CA LYS A 73 -8.052 6.148 -2.848 1.00 74.15 C ATOM 1171 C LYS A 73 -8.958 6.200 -4.092 1.00 51.41 C ATOM 1172 O LYS A 73 -9.408 7.275 -4.488 1.00 3.10 O ATOM 1173 CB LYS A 73 -6.677 6.747 -3.172 1.00 51.24 C ATOM 1174 CG LYS A 73 -5.838 7.080 -1.938 1.00 34.13 C ATOM 1175 CD LYS A 73 -4.505 7.722 -2.317 1.00 13.01 C ATOM 1176 CE LYS A 73 -3.703 8.140 -1.090 1.00 25.22 C ATOM 1177 NZ LYS A 73 -4.374 9.221 -0.321 1.00 14.21 N ATOM 0 H LYS A 73 -7.089 4.283 -2.655 1.00 52.21 H new ATOM 0 HA LYS A 73 -8.531 6.743 -2.071 1.00 74.15 H new ATOM 0 HB2 LYS A 73 -6.124 6.045 -3.796 1.00 51.24 H new ATOM 0 HB3 LYS A 73 -6.817 7.654 -3.760 1.00 51.24 H new ATOM 0 HG2 LYS A 73 -6.396 7.756 -1.290 1.00 34.13 H new ATOM 0 HG3 LYS A 73 -5.654 6.170 -1.367 1.00 34.13 H new ATOM 0 HD2 LYS A 73 -3.920 7.019 -2.910 1.00 13.01 H new ATOM 0 HD3 LYS A 73 -4.688 8.594 -2.945 1.00 13.01 H new ATOM 0 HE2 LYS A 73 -3.554 7.275 -0.443 1.00 25.22 H new ATOM 0 HE3 LYS A 73 -2.715 8.478 -1.402 1.00 25.22 H new ATOM 0 HZ1 LYS A 73 -3.717 9.601 0.390 1.00 14.21 H new ATOM 0 HZ2 LYS A 73 -4.661 9.982 -0.969 1.00 14.21 H new ATOM 0 HZ3 LYS A 73 -5.215 8.837 0.156 1.00 14.21 H new ATOM 1191 N ASN A 74 -9.230 5.044 -4.701 1.00 2.25 N ATOM 1192 CA ASN A 74 -10.120 4.981 -5.871 1.00 61.51 C ATOM 1193 C ASN A 74 -11.517 5.527 -5.526 1.00 24.12 C ATOM 1194 O ASN A 74 -12.195 6.118 -6.369 1.00 13.21 O ATOM 1195 CB ASN A 74 -10.228 3.542 -6.396 1.00 32.02 C ATOM 1196 CG ASN A 74 -10.918 3.469 -7.747 1.00 75.30 C ATOM 1197 OD1 ASN A 74 -10.799 4.371 -8.571 1.00 43.53 O ATOM 1198 ND2 ASN A 74 -11.651 2.404 -7.987 1.00 24.04 N ATOM 0 H ASN A 74 -8.852 4.143 -4.409 1.00 2.25 H new ATOM 0 HA ASN A 74 -9.689 5.605 -6.654 1.00 61.51 H new ATOM 0 HB2 ASN A 74 -9.230 3.112 -6.477 1.00 32.02 H new ATOM 0 HB3 ASN A 74 -10.779 2.936 -5.677 1.00 32.02 H new ATOM 0 HD21 ASN A 74 -12.140 2.311 -8.878 1.00 24.04 H new ATOM 0 HD22 ASN A 74 -11.731 1.671 -7.283 1.00 24.04 H new ATOM 1205 N LYS A 75 -11.934 5.335 -4.276 1.00 12.21 N ATOM 1206 CA LYS A 75 -13.200 5.889 -3.787 1.00 43.33 C ATOM 1207 C LYS A 75 -13.178 7.427 -3.851 1.00 13.22 C ATOM 1208 O LYS A 75 -14.170 8.063 -4.210 1.00 54.54 O ATOM 1209 CB LYS A 75 -13.474 5.392 -2.358 1.00 52.45 C ATOM 1210 CG LYS A 75 -14.748 5.962 -1.733 1.00 33.13 C ATOM 1211 CD LYS A 75 -15.190 5.164 -0.504 1.00 33.02 C ATOM 1212 CE LYS A 75 -14.103 5.083 0.565 1.00 73.54 C ATOM 1213 NZ LYS A 75 -13.744 6.419 1.108 1.00 44.41 N ATOM 0 H LYS A 75 -11.414 4.799 -3.581 1.00 12.21 H new ATOM 0 HA LYS A 75 -14.011 5.544 -4.429 1.00 43.33 H new ATOM 0 HB2 LYS A 75 -13.543 4.304 -2.370 1.00 52.45 H new ATOM 0 HB3 LYS A 75 -12.625 5.650 -1.726 1.00 52.45 H new ATOM 0 HG2 LYS A 75 -14.579 7.001 -1.449 1.00 33.13 H new ATOM 0 HG3 LYS A 75 -15.548 5.960 -2.474 1.00 33.13 H new ATOM 0 HD2 LYS A 75 -16.081 5.625 -0.077 1.00 33.02 H new ATOM 0 HD3 LYS A 75 -15.469 4.156 -0.811 1.00 33.02 H new ATOM 0 HE2 LYS A 75 -14.444 4.442 1.378 1.00 73.54 H new ATOM 0 HE3 LYS A 75 -13.214 4.615 0.141 1.00 73.54 H new ATOM 0 HZ1 LYS A 75 -13.027 6.310 1.854 1.00 44.41 H new ATOM 0 HZ2 LYS A 75 -13.362 7.013 0.345 1.00 44.41 H new ATOM 0 HZ3 LYS A 75 -14.592 6.871 1.506 1.00 44.41 H new ATOM 1227 N VAL A 76 -12.029 8.016 -3.522 1.00 0.35 N ATOM 1228 CA VAL A 76 -11.827 9.461 -3.675 1.00 41.33 C ATOM 1229 C VAL A 76 -11.822 9.850 -5.161 1.00 32.34 C ATOM 1230 O VAL A 76 -12.425 10.850 -5.555 1.00 4.13 O ATOM 1231 CB VAL A 76 -10.497 9.923 -3.022 1.00 4.32 C ATOM 1232 CG1 VAL A 76 -10.310 11.435 -3.155 1.00 13.24 C ATOM 1233 CG2 VAL A 76 -10.439 9.500 -1.559 1.00 50.42 C ATOM 0 H VAL A 76 -11.222 7.517 -3.148 1.00 0.35 H new ATOM 0 HA VAL A 76 -12.654 9.958 -3.168 1.00 41.33 H new ATOM 0 HB VAL A 76 -9.679 9.437 -3.553 1.00 4.32 H new ATOM 0 HG11 VAL A 76 -9.370 11.728 -2.688 1.00 13.24 H new ATOM 0 HG12 VAL A 76 -10.292 11.708 -4.210 1.00 13.24 H new ATOM 0 HG13 VAL A 76 -11.135 11.948 -2.662 1.00 13.24 H new ATOM 0 HG21 VAL A 76 -9.499 9.834 -1.121 1.00 50.42 H new ATOM 0 HG22 VAL A 76 -11.271 9.949 -1.017 1.00 50.42 H new ATOM 0 HG23 VAL A 76 -10.505 8.414 -1.491 1.00 50.42 H new ATOM 1243 N ALA A 77 -11.150 9.039 -5.981 1.00 51.42 N ATOM 1244 CA ALA A 77 -11.108 9.251 -7.432 1.00 11.13 C ATOM 1245 C ALA A 77 -12.522 9.280 -8.039 1.00 25.13 C ATOM 1246 O ALA A 77 -12.776 9.986 -9.015 1.00 34.51 O ATOM 1247 CB ALA A 77 -10.264 8.169 -8.096 1.00 13.22 C ATOM 0 H ALA A 77 -10.624 8.225 -5.664 1.00 51.42 H new ATOM 0 HA ALA A 77 -10.650 10.223 -7.617 1.00 11.13 H new ATOM 0 HB1 ALA A 77 -10.240 8.336 -9.173 1.00 13.22 H new ATOM 0 HB2 ALA A 77 -9.249 8.205 -7.700 1.00 13.22 H new ATOM 0 HB3 ALA A 77 -10.699 7.191 -7.890 1.00 13.22 H new ATOM 1253 N ALA A 78 -13.432 8.500 -7.455 1.00 44.10 N ATOM 1254 CA ALA A 78 -14.841 8.501 -7.864 1.00 11.11 C ATOM 1255 C ALA A 78 -15.537 9.812 -7.461 1.00 54.43 C ATOM 1256 O ALA A 78 -16.374 10.339 -8.197 1.00 72.41 O ATOM 1257 CB ALA A 78 -15.564 7.305 -7.253 1.00 24.15 C ATOM 0 H ALA A 78 -13.219 7.856 -6.693 1.00 44.10 H new ATOM 0 HA ALA A 78 -14.880 8.423 -8.951 1.00 11.11 H new ATOM 0 HB1 ALA A 78 -16.609 7.315 -7.562 1.00 24.15 H new ATOM 0 HB2 ALA A 78 -15.093 6.383 -7.593 1.00 24.15 H new ATOM 0 HB3 ALA A 78 -15.507 7.362 -6.166 1.00 24.15 H new ATOM 1263 N GLN A 79 -15.175 10.340 -6.293 1.00 25.11 N ATOM 1264 CA GLN A 79 -15.739 11.602 -5.802 1.00 3.45 C ATOM 1265 C GLN A 79 -15.274 12.803 -6.639 1.00 35.20 C ATOM 1266 O GLN A 79 -16.037 13.744 -6.865 1.00 23.13 O ATOM 1267 CB GLN A 79 -15.379 11.812 -4.324 1.00 51.15 C ATOM 1268 CG GLN A 79 -16.059 10.827 -3.380 1.00 35.15 C ATOM 1269 CD GLN A 79 -17.579 10.907 -3.436 1.00 43.13 C ATOM 1270 OE1 GLN A 79 -18.154 11.955 -3.726 1.00 43.43 O ATOM 1271 NE2 GLN A 79 -18.243 9.807 -3.144 1.00 71.22 N ATOM 0 H GLN A 79 -14.492 9.914 -5.666 1.00 25.11 H new ATOM 0 HA GLN A 79 -16.822 11.533 -5.899 1.00 3.45 H new ATOM 0 HB2 GLN A 79 -14.299 11.726 -4.207 1.00 51.15 H new ATOM 0 HB3 GLN A 79 -15.652 12.827 -4.034 1.00 51.15 H new ATOM 0 HG2 GLN A 79 -15.744 9.814 -3.631 1.00 35.15 H new ATOM 0 HG3 GLN A 79 -15.727 11.021 -2.360 1.00 35.15 H new ATOM 0 HE21 GLN A 79 -17.737 8.953 -2.907 1.00 71.22 H new ATOM 0 HE22 GLN A 79 -19.263 9.809 -3.155 1.00 71.22 H new ATOM 1280 N ASN A 80 -14.022 12.778 -7.092 1.00 63.21 N ATOM 1281 CA ASN A 80 -13.500 13.835 -7.972 1.00 71.34 C ATOM 1282 C ASN A 80 -13.392 13.337 -9.426 1.00 35.05 C ATOM 1283 O ASN A 80 -12.552 13.800 -10.201 1.00 75.11 O ATOM 1284 CB ASN A 80 -12.145 14.344 -7.451 1.00 64.01 C ATOM 1285 CG ASN A 80 -11.098 13.252 -7.321 1.00 0.12 C ATOM 1286 OD1 ASN A 80 -11.070 12.299 -8.086 1.00 55.03 O ATOM 1287 ND2 ASN A 80 -10.219 13.389 -6.354 1.00 52.14 N ATOM 0 H ASN A 80 -13.350 12.044 -6.869 1.00 63.21 H new ATOM 0 HA ASN A 80 -14.200 14.670 -7.964 1.00 71.34 H new ATOM 0 HB2 ASN A 80 -11.772 15.116 -8.125 1.00 64.01 H new ATOM 0 HB3 ASN A 80 -12.292 14.814 -6.478 1.00 64.01 H new ATOM 0 HD21 ASN A 80 -9.488 12.689 -6.226 1.00 52.14 H new ATOM 0 HD22 ASN A 80 -10.268 14.195 -5.731 1.00 52.14 H new ATOM 1294 N TYR A 81 -14.276 12.406 -9.788 1.00 11.31 N ATOM 1295 CA TYR A 81 -14.301 11.815 -11.131 1.00 71.35 C ATOM 1296 C TYR A 81 -14.602 12.877 -12.201 1.00 31.41 C ATOM 1297 O TYR A 81 -15.547 13.659 -12.069 1.00 34.43 O ATOM 1298 CB TYR A 81 -15.352 10.691 -11.172 1.00 63.33 C ATOM 1299 CG TYR A 81 -15.290 9.799 -12.401 1.00 33.13 C ATOM 1300 CD1 TYR A 81 -14.192 8.974 -12.634 1.00 0.32 C ATOM 1301 CD2 TYR A 81 -16.337 9.764 -13.317 1.00 62.42 C ATOM 1302 CE1 TYR A 81 -14.142 8.142 -13.736 1.00 33.23 C ATOM 1303 CE2 TYR A 81 -16.292 8.937 -14.426 1.00 12.42 C ATOM 1304 CZ TYR A 81 -15.193 8.129 -14.631 1.00 31.53 C ATOM 1305 OH TYR A 81 -15.147 7.297 -15.731 1.00 41.54 O ATOM 0 H TYR A 81 -14.994 12.040 -9.162 1.00 11.31 H new ATOM 0 HA TYR A 81 -13.317 11.400 -11.351 1.00 71.35 H new ATOM 0 HB2 TYR A 81 -15.233 10.070 -10.284 1.00 63.33 H new ATOM 0 HB3 TYR A 81 -16.344 11.139 -11.116 1.00 63.33 H new ATOM 0 HD1 TYR A 81 -13.364 8.985 -11.940 1.00 0.32 H new ATOM 0 HD2 TYR A 81 -17.200 10.394 -13.160 1.00 62.42 H new ATOM 0 HE1 TYR A 81 -13.285 7.505 -13.896 1.00 33.23 H new ATOM 0 HE2 TYR A 81 -17.113 8.924 -15.127 1.00 12.42 H new ATOM 0 HH TYR A 81 -15.965 7.408 -16.260 1.00 41.54 H new ATOM 1315 N ARG A 82 -13.779 12.899 -13.251 1.00 43.15 N ATOM 1316 CA ARG A 82 -13.906 13.871 -14.348 1.00 64.32 C ATOM 1317 C ARG A 82 -13.584 15.298 -13.875 1.00 21.34 C ATOM 1318 O ARG A 82 -14.450 16.181 -13.859 1.00 24.44 O ATOM 1319 CB ARG A 82 -15.302 13.816 -14.985 1.00 33.15 C ATOM 1320 CG ARG A 82 -15.652 12.451 -15.567 1.00 74.31 C ATOM 1321 CD ARG A 82 -17.065 12.424 -16.132 1.00 2.42 C ATOM 1322 NE ARG A 82 -18.075 12.756 -15.126 1.00 40.31 N ATOM 1323 CZ ARG A 82 -19.316 13.051 -15.409 1.00 44.43 C ATOM 1324 NH1 ARG A 82 -19.719 13.097 -16.638 1.00 53.25 N ATOM 1325 NH2 ARG A 82 -20.151 13.320 -14.458 1.00 14.44 N ATOM 0 H ARG A 82 -13.005 12.245 -13.368 1.00 43.15 H new ATOM 0 HA ARG A 82 -13.175 13.595 -15.108 1.00 64.32 H new ATOM 0 HB2 ARG A 82 -16.046 14.084 -14.235 1.00 33.15 H new ATOM 0 HB3 ARG A 82 -15.362 14.565 -15.775 1.00 33.15 H new ATOM 0 HG2 ARG A 82 -14.941 12.198 -16.353 1.00 74.31 H new ATOM 0 HG3 ARG A 82 -15.555 11.690 -14.793 1.00 74.31 H new ATOM 0 HD2 ARG A 82 -17.136 13.129 -16.960 1.00 2.42 H new ATOM 0 HD3 ARG A 82 -17.272 11.434 -16.538 1.00 2.42 H new ATOM 0 HE ARG A 82 -17.793 12.757 -14.146 1.00 40.31 H new ATOM 0 HH11 ARG A 82 -19.066 12.902 -17.397 1.00 53.25 H new ATOM 0 HH12 ARG A 82 -20.690 13.328 -16.848 1.00 53.25 H new ATOM 0 HH21 ARG A 82 -19.841 13.302 -13.487 1.00 14.44 H new ATOM 0 HH22 ARG A 82 -21.120 13.550 -14.680 1.00 14.44 H new ATOM 1339 N LYS A 83 -12.330 15.499 -13.478 1.00 11.31 N ATOM 1340 CA LYS A 83 -11.816 16.819 -13.076 1.00 4.11 C ATOM 1341 C LYS A 83 -11.895 17.823 -14.239 1.00 13.55 C ATOM 1342 O LYS A 83 -12.125 17.436 -15.387 1.00 14.23 O ATOM 1343 CB LYS A 83 -10.358 16.663 -12.619 1.00 64.24 C ATOM 1344 CG LYS A 83 -9.457 16.070 -13.702 1.00 43.21 C ATOM 1345 CD LYS A 83 -8.070 15.708 -13.179 1.00 51.32 C ATOM 1346 CE LYS A 83 -7.220 15.059 -14.267 1.00 10.42 C ATOM 1347 NZ LYS A 83 -5.890 14.633 -13.759 1.00 41.00 N ATOM 0 H LYS A 83 -11.635 14.754 -13.424 1.00 11.31 H new ATOM 0 HA LYS A 83 -12.428 17.204 -12.260 1.00 4.11 H new ATOM 0 HB2 LYS A 83 -9.969 17.637 -12.323 1.00 64.24 H new ATOM 0 HB3 LYS A 83 -10.325 16.025 -11.736 1.00 64.24 H new ATOM 0 HG2 LYS A 83 -9.930 15.179 -14.114 1.00 43.21 H new ATOM 0 HG3 LYS A 83 -9.358 16.785 -14.519 1.00 43.21 H new ATOM 0 HD2 LYS A 83 -7.572 16.605 -12.812 1.00 51.32 H new ATOM 0 HD3 LYS A 83 -8.164 15.027 -12.333 1.00 51.32 H new ATOM 0 HE2 LYS A 83 -7.747 14.194 -14.671 1.00 10.42 H new ATOM 0 HE3 LYS A 83 -7.085 15.762 -15.089 1.00 10.42 H new ATOM 0 HZ1 LYS A 83 -5.347 14.198 -14.531 1.00 41.00 H new ATOM 0 HZ2 LYS A 83 -5.375 15.461 -13.397 1.00 41.00 H new ATOM 0 HZ3 LYS A 83 -6.016 13.942 -12.992 1.00 41.00 H new ATOM 1361 N ARG A 84 -11.703 19.113 -13.952 1.00 3.52 N ATOM 1362 CA ARG A 84 -11.690 20.129 -15.013 1.00 71.54 C ATOM 1363 C ARG A 84 -10.488 19.942 -15.953 1.00 43.02 C ATOM 1364 O ARG A 84 -9.342 20.217 -15.594 1.00 71.24 O ATOM 1365 CB ARG A 84 -11.715 21.553 -14.433 1.00 41.14 C ATOM 1366 CG ARG A 84 -10.662 21.838 -13.364 1.00 1.41 C ATOM 1367 CD ARG A 84 -10.653 23.316 -12.974 1.00 23.14 C ATOM 1368 NE ARG A 84 -12.012 23.851 -12.836 1.00 65.35 N ATOM 1369 CZ ARG A 84 -12.625 24.039 -11.697 1.00 32.01 C ATOM 1370 NH1 ARG A 84 -12.031 23.792 -10.576 1.00 31.21 N ATOM 1371 NH2 ARG A 84 -13.839 24.477 -11.685 1.00 65.20 N ATOM 0 H ARG A 84 -11.556 19.477 -13.010 1.00 3.52 H new ATOM 0 HA ARG A 84 -12.599 19.994 -15.599 1.00 71.54 H new ATOM 0 HB2 ARG A 84 -11.582 22.263 -15.249 1.00 41.14 H new ATOM 0 HB3 ARG A 84 -12.701 21.737 -14.007 1.00 41.14 H new ATOM 0 HG2 ARG A 84 -10.861 21.228 -12.483 1.00 1.41 H new ATOM 0 HG3 ARG A 84 -9.678 21.551 -13.734 1.00 1.41 H new ATOM 0 HD2 ARG A 84 -10.116 23.441 -12.034 1.00 23.14 H new ATOM 0 HD3 ARG A 84 -10.112 23.888 -13.728 1.00 23.14 H new ATOM 0 HE ARG A 84 -12.514 24.094 -13.690 1.00 65.35 H new ATOM 0 HH11 ARG A 84 -11.072 23.446 -10.573 1.00 31.21 H new ATOM 0 HH12 ARG A 84 -12.522 23.943 -9.695 1.00 31.21 H new ATOM 0 HH21 ARG A 84 -14.318 24.676 -12.563 1.00 65.20 H new ATOM 0 HH22 ARG A 84 -14.319 24.624 -10.797 1.00 65.20 H new ATOM 1385 N LYS A 85 -10.767 19.450 -17.154 1.00 22.33 N ATOM 1386 CA LYS A 85 -9.728 19.166 -18.151 1.00 13.42 C ATOM 1387 C LYS A 85 -9.253 20.447 -18.859 1.00 51.45 C ATOM 1388 O LYS A 85 -10.044 21.347 -19.148 1.00 73.21 O ATOM 1389 CB LYS A 85 -10.254 18.130 -19.162 1.00 32.13 C ATOM 1390 CG LYS A 85 -11.592 18.500 -19.808 1.00 4.15 C ATOM 1391 CD LYS A 85 -12.342 17.268 -20.322 1.00 72.21 C ATOM 1392 CE LYS A 85 -11.629 16.593 -21.488 1.00 1.12 C ATOM 1393 NZ LYS A 85 -11.672 17.424 -22.717 1.00 63.12 N ATOM 0 H LYS A 85 -11.713 19.236 -17.469 1.00 22.33 H new ATOM 0 HA LYS A 85 -8.860 18.752 -17.638 1.00 13.42 H new ATOM 0 HB2 LYS A 85 -9.510 17.996 -19.947 1.00 32.13 H new ATOM 0 HB3 LYS A 85 -10.361 17.170 -18.657 1.00 32.13 H new ATOM 0 HG2 LYS A 85 -12.212 19.025 -19.081 1.00 4.15 H new ATOM 0 HG3 LYS A 85 -11.417 19.189 -20.635 1.00 4.15 H new ATOM 0 HD2 LYS A 85 -12.458 16.552 -19.508 1.00 72.21 H new ATOM 0 HD3 LYS A 85 -13.344 17.561 -20.634 1.00 72.21 H new ATOM 0 HE2 LYS A 85 -10.591 16.400 -21.216 1.00 1.12 H new ATOM 0 HE3 LYS A 85 -12.092 15.626 -21.687 1.00 1.12 H new ATOM 0 HZ1 LYS A 85 -11.952 16.833 -23.526 1.00 63.12 H new ATOM 0 HZ2 LYS A 85 -12.363 18.191 -22.593 1.00 63.12 H new ATOM 0 HZ3 LYS A 85 -10.731 17.831 -22.894 1.00 63.12 H new ATOM 1407 N LEU A 86 -7.945 20.530 -19.110 1.00 23.23 N ATOM 1408 CA LEU A 86 -7.344 21.711 -19.739 1.00 64.02 C ATOM 1409 C LEU A 86 -7.223 21.540 -21.262 1.00 44.20 C ATOM 1410 O LEU A 86 -6.353 20.813 -21.753 1.00 64.14 O ATOM 1411 CB LEU A 86 -5.957 21.983 -19.131 1.00 24.42 C ATOM 1412 CG LEU A 86 -5.939 22.194 -17.605 1.00 42.35 C ATOM 1413 CD1 LEU A 86 -4.518 22.450 -17.104 1.00 64.04 C ATOM 1414 CD2 LEU A 86 -6.870 23.338 -17.209 1.00 54.02 C ATOM 0 H LEU A 86 -7.278 19.791 -18.887 1.00 23.23 H new ATOM 0 HA LEU A 86 -7.999 22.561 -19.547 1.00 64.02 H new ATOM 0 HB2 LEU A 86 -5.301 21.147 -19.374 1.00 24.42 H new ATOM 0 HB3 LEU A 86 -5.536 22.867 -19.609 1.00 24.42 H new ATOM 0 HG LEU A 86 -6.300 21.281 -17.132 1.00 42.35 H new ATOM 0 HD11 LEU A 86 -4.534 22.596 -16.024 1.00 64.04 H new ATOM 0 HD12 LEU A 86 -3.887 21.594 -17.346 1.00 64.04 H new ATOM 0 HD13 LEU A 86 -4.118 23.343 -17.585 1.00 64.04 H new ATOM 0 HD21 LEU A 86 -6.843 23.471 -16.127 1.00 54.02 H new ATOM 0 HD22 LEU A 86 -6.544 24.257 -17.696 1.00 54.02 H new ATOM 0 HD23 LEU A 86 -7.888 23.103 -17.521 1.00 54.02 H new ATOM 1426 N GLU A 87 -8.099 22.215 -22.002 1.00 14.24 N ATOM 1427 CA GLU A 87 -8.104 22.145 -23.467 1.00 51.22 C ATOM 1428 C GLU A 87 -7.084 23.119 -24.080 1.00 74.24 C ATOM 1429 O GLU A 87 -7.006 24.282 -23.685 1.00 12.10 O ATOM 1430 CB GLU A 87 -9.510 22.459 -23.999 1.00 34.43 C ATOM 1431 CG GLU A 87 -10.607 21.564 -23.426 1.00 34.24 C ATOM 1432 CD GLU A 87 -10.399 20.092 -23.743 1.00 24.51 C ATOM 1433 OE1 GLU A 87 -10.805 19.647 -24.838 1.00 51.41 O ATOM 1434 OE2 GLU A 87 -9.835 19.363 -22.899 1.00 21.55 O ATOM 0 H GLU A 87 -8.820 22.821 -21.611 1.00 14.24 H new ATOM 0 HA GLU A 87 -7.820 21.133 -23.757 1.00 51.22 H new ATOM 0 HB2 GLU A 87 -9.749 23.498 -23.773 1.00 34.43 H new ATOM 0 HB3 GLU A 87 -9.506 22.362 -25.085 1.00 34.43 H new ATOM 0 HG2 GLU A 87 -10.647 21.695 -22.345 1.00 34.24 H new ATOM 0 HG3 GLU A 87 -11.572 21.882 -23.822 1.00 34.24 H new ATOM 1441 N THR A 88 -6.299 22.636 -25.039 1.00 13.10 N ATOM 1442 CA THR A 88 -5.318 23.480 -25.740 1.00 24.23 C ATOM 1443 C THR A 88 -5.962 24.201 -26.930 1.00 75.05 C ATOM 1444 O THR A 88 -6.598 23.567 -27.775 1.00 14.22 O ATOM 1445 CB THR A 88 -4.113 22.651 -26.257 1.00 25.41 C ATOM 1446 OG1 THR A 88 -3.466 21.973 -25.164 1.00 53.41 O ATOM 1447 CG2 THR A 88 -3.096 23.538 -26.975 1.00 11.02 C ATOM 0 H THR A 88 -6.318 21.666 -25.353 1.00 13.10 H new ATOM 0 HA THR A 88 -4.963 24.211 -25.014 1.00 24.23 H new ATOM 0 HB THR A 88 -4.498 21.918 -26.966 1.00 25.41 H new ATOM 0 HG1 THR A 88 -2.709 21.452 -25.504 1.00 53.41 H new ATOM 0 HG21 THR A 88 -2.264 22.927 -27.325 1.00 11.02 H new ATOM 0 HG22 THR A 88 -3.573 24.023 -27.826 1.00 11.02 H new ATOM 0 HG23 THR A 88 -2.725 24.297 -26.286 1.00 11.02 H new ATOM 1455 N ILE A 89 -5.793 25.522 -26.997 1.00 62.51 N ATOM 1456 CA ILE A 89 -6.347 26.317 -28.100 1.00 10.44 C ATOM 1457 C ILE A 89 -5.692 25.939 -29.441 1.00 44.50 C ATOM 1458 O ILE A 89 -4.576 26.365 -29.756 1.00 45.51 O ATOM 1459 CB ILE A 89 -6.185 27.837 -27.838 1.00 75.41 C ATOM 1460 CG1 ILE A 89 -6.916 28.240 -26.544 1.00 73.11 C ATOM 1461 CG2 ILE A 89 -6.701 28.655 -29.023 1.00 33.44 C ATOM 1462 CD1 ILE A 89 -8.412 27.991 -26.573 1.00 32.41 C ATOM 0 H ILE A 89 -5.279 26.065 -26.304 1.00 62.51 H new ATOM 0 HA ILE A 89 -7.412 26.090 -28.158 1.00 10.44 H new ATOM 0 HB ILE A 89 -5.123 28.050 -27.718 1.00 75.41 H new ATOM 0 HG12 ILE A 89 -6.483 27.689 -25.709 1.00 73.11 H new ATOM 0 HG13 ILE A 89 -6.739 29.299 -26.354 1.00 73.11 H new ATOM 0 HG21 ILE A 89 -6.576 29.717 -28.814 1.00 33.44 H new ATOM 0 HG22 ILE A 89 -6.138 28.393 -29.919 1.00 33.44 H new ATOM 0 HG23 ILE A 89 -7.757 28.438 -29.182 1.00 33.44 H new ATOM 0 HD11 ILE A 89 -8.851 28.302 -25.625 1.00 32.41 H new ATOM 0 HD12 ILE A 89 -8.860 28.563 -27.385 1.00 32.41 H new ATOM 0 HD13 ILE A 89 -8.601 26.929 -26.730 1.00 32.41 H new ATOM 1474 N VAL A 90 -6.402 25.126 -30.217 1.00 11.31 N ATOM 1475 CA VAL A 90 -5.886 24.579 -31.477 1.00 35.23 C ATOM 1476 C VAL A 90 -6.479 25.299 -32.704 1.00 3.12 C ATOM 1477 O VAL A 90 -7.529 25.942 -32.619 1.00 44.23 O ATOM 1478 CB VAL A 90 -6.203 23.062 -31.560 1.00 62.03 C ATOM 1479 CG1 VAL A 90 -7.711 22.824 -31.541 1.00 5.44 C ATOM 1480 CG2 VAL A 90 -5.562 22.418 -32.789 1.00 1.22 C ATOM 0 H VAL A 90 -7.351 24.825 -29.994 1.00 11.31 H new ATOM 0 HA VAL A 90 -4.808 24.737 -31.487 1.00 35.23 H new ATOM 0 HB VAL A 90 -5.769 22.585 -30.681 1.00 62.03 H new ATOM 0 HG11 VAL A 90 -7.911 21.754 -31.600 1.00 5.44 H new ATOM 0 HG12 VAL A 90 -8.130 23.221 -30.617 1.00 5.44 H new ATOM 0 HG13 VAL A 90 -8.169 23.326 -32.393 1.00 5.44 H new ATOM 0 HG21 VAL A 90 -5.806 21.356 -32.812 1.00 1.22 H new ATOM 0 HG22 VAL A 90 -5.942 22.898 -33.691 1.00 1.22 H new ATOM 0 HG23 VAL A 90 -4.480 22.540 -32.741 1.00 1.22 H new ATOM 1490 N GLN A 91 -5.788 25.196 -33.838 1.00 30.51 N ATOM 1491 CA GLN A 91 -6.281 25.747 -35.107 1.00 72.32 C ATOM 1492 C GLN A 91 -7.451 24.910 -35.682 1.00 71.43 C ATOM 1493 O GLN A 91 -7.218 23.766 -36.143 1.00 37.78 O ATOM 1494 CB GLN A 91 -5.127 25.856 -36.120 1.00 1.21 C ATOM 1495 CG GLN A 91 -4.303 24.580 -36.268 1.00 75.15 C ATOM 1496 CD GLN A 91 -3.220 24.699 -37.323 1.00 72.21 C ATOM 1497 OE1 GLN A 91 -2.093 25.089 -37.035 1.00 13.10 O ATOM 1498 NE2 GLN A 91 -3.553 24.369 -38.555 1.00 61.31 N ATOM 1499 OXT GLN A 91 -8.600 25.404 -35.666 1.00 37.78 O ATOM 0 H GLN A 91 -4.881 24.735 -33.908 1.00 30.51 H new ATOM 0 HA GLN A 91 -6.671 26.746 -34.912 1.00 72.32 H new ATOM 0 HB2 GLN A 91 -5.537 26.126 -37.093 1.00 1.21 H new ATOM 0 HB3 GLN A 91 -4.467 26.668 -35.816 1.00 1.21 H new ATOM 0 HG2 GLN A 91 -3.845 24.336 -35.310 1.00 75.15 H new ATOM 0 HG3 GLN A 91 -4.965 23.753 -36.525 1.00 75.15 H new ATOM 0 HE21 GLN A 91 -4.500 24.049 -38.759 1.00 61.31 H new ATOM 0 HE22 GLN A 91 -2.864 24.434 -39.304 1.00 61.31 H new TER 1508 GLN A 91