USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 14 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=-0.024) USER MOD Single : A 15 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.28) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 0.102 (180deg=-0.339) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 30 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.8) USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.227) USER MOD Single : A 64 SER OG : rot 180:sc= 0.106 USER MOD Single : A 70 ASN : amide:sc=-0.000463 X(o=-0.00046,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.238 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-2.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 1.249 -1.016 -6.703 1.00 33.51 N ATOM 28 CA HIS A 14 2.046 -1.221 -7.907 1.00 60.20 C ATOM 29 C HIS A 14 1.152 -1.528 -9.105 1.00 1.41 C ATOM 30 O HIS A 14 0.216 -2.320 -9.005 1.00 13.21 O ATOM 31 CB HIS A 14 3.044 -2.360 -7.696 1.00 32.31 C ATOM 32 CG HIS A 14 2.395 -3.684 -7.433 1.00 33.15 C ATOM 33 ND1 HIS A 14 2.270 -4.665 -8.393 1.00 73.42 N ATOM 34 CD2 HIS A 14 1.834 -4.187 -6.308 1.00 22.12 C ATOM 35 CE1 HIS A 14 1.659 -5.714 -7.871 1.00 71.13 C ATOM 36 NE2 HIS A 14 1.384 -5.450 -6.607 1.00 3.34 N ATOM 0 HA HIS A 14 2.594 -0.301 -8.111 1.00 60.20 H new ATOM 0 HB2 HIS A 14 3.678 -2.444 -8.578 1.00 32.31 H new ATOM 0 HB3 HIS A 14 3.695 -2.111 -6.858 1.00 32.31 H new ATOM 0 HD2 HIS A 14 1.755 -3.688 -5.353 1.00 22.12 H new ATOM 0 HE1 HIS A 14 1.424 -6.631 -8.390 1.00 71.13 H new ATOM 0 HE2 HIS A 14 0.914 -6.081 -5.958 1.00 3.34 H new ATOM 44 N GLN A 15 1.448 -0.894 -10.235 1.00 71.13 N ATOM 45 CA GLN A 15 0.670 -1.099 -11.451 1.00 54.42 C ATOM 46 C GLN A 15 1.577 -1.446 -12.627 1.00 2.04 C ATOM 47 O GLN A 15 2.607 -0.805 -12.841 1.00 30.52 O ATOM 48 CB GLN A 15 -0.148 0.153 -11.775 1.00 42.12 C ATOM 49 CG GLN A 15 0.702 1.394 -11.997 1.00 72.01 C ATOM 50 CD GLN A 15 0.402 2.493 -10.996 1.00 65.24 C ATOM 51 OE1 GLN A 15 -0.757 2.770 -10.690 1.00 55.21 O ATOM 52 NE2 GLN A 15 1.450 3.125 -10.481 1.00 12.45 N ATOM 0 H GLN A 15 2.220 -0.235 -10.334 1.00 71.13 H new ATOM 0 HA GLN A 15 -0.009 -1.935 -11.281 1.00 54.42 H new ATOM 0 HB2 GLN A 15 -0.744 -0.034 -12.668 1.00 42.12 H new ATOM 0 HB3 GLN A 15 -0.846 0.342 -10.960 1.00 42.12 H new ATOM 0 HG2 GLN A 15 1.756 1.125 -11.930 1.00 72.01 H new ATOM 0 HG3 GLN A 15 0.532 1.770 -13.006 1.00 72.01 H new ATOM 0 HE21 GLN A 15 2.394 2.862 -10.764 1.00 12.45 H new ATOM 0 HE22 GLN A 15 1.311 3.874 -9.802 1.00 12.45 H new ATOM 61 N THR A 16 1.189 -2.465 -13.387 1.00 30.43 N ATOM 62 CA THR A 16 1.968 -2.899 -14.539 1.00 70.25 C ATOM 63 C THR A 16 1.063 -3.420 -15.650 1.00 60.11 C ATOM 64 O THR A 16 0.169 -4.231 -15.407 1.00 64.34 O ATOM 65 CB THR A 16 2.975 -3.999 -14.155 1.00 61.50 C ATOM 66 OG1 THR A 16 3.241 -3.951 -12.749 1.00 11.32 O ATOM 67 CG2 THR A 16 4.275 -3.837 -14.928 1.00 3.01 C ATOM 0 H THR A 16 0.339 -3.005 -13.225 1.00 30.43 H new ATOM 0 HA THR A 16 2.514 -2.026 -14.898 1.00 70.25 H new ATOM 0 HB THR A 16 2.538 -4.965 -14.409 1.00 61.50 H new ATOM 0 HG1 THR A 16 3.881 -4.655 -12.513 1.00 11.32 H new ATOM 0 HG21 THR A 16 4.970 -4.625 -14.640 1.00 3.01 H new ATOM 0 HG22 THR A 16 4.073 -3.904 -15.997 1.00 3.01 H new ATOM 0 HG23 THR A 16 4.714 -2.865 -14.702 1.00 3.01 H new ATOM 75 N VAL A 17 1.300 -2.949 -16.870 1.00 64.33 N ATOM 76 CA VAL A 17 0.507 -3.369 -18.019 1.00 64.35 C ATOM 77 C VAL A 17 1.328 -4.240 -18.965 1.00 12.42 C ATOM 78 O VAL A 17 2.543 -4.077 -19.078 1.00 21.13 O ATOM 79 CB VAL A 17 -0.038 -2.157 -18.798 1.00 70.52 C ATOM 80 CG1 VAL A 17 -1.007 -2.610 -19.880 1.00 14.34 C ATOM 81 CG2 VAL A 17 -0.705 -1.172 -17.850 1.00 74.35 C ATOM 0 H VAL A 17 2.035 -2.276 -17.088 1.00 64.33 H new ATOM 0 HA VAL A 17 -0.330 -3.949 -17.631 1.00 64.35 H new ATOM 0 HB VAL A 17 0.797 -1.651 -19.282 1.00 70.52 H new ATOM 0 HG11 VAL A 17 -1.382 -1.740 -20.420 1.00 14.34 H new ATOM 0 HG12 VAL A 17 -0.492 -3.274 -20.574 1.00 14.34 H new ATOM 0 HG13 VAL A 17 -1.842 -3.140 -19.422 1.00 14.34 H new ATOM 0 HG21 VAL A 17 -1.084 -0.322 -18.417 1.00 74.35 H new ATOM 0 HG22 VAL A 17 -1.531 -1.664 -17.337 1.00 74.35 H new ATOM 0 HG23 VAL A 17 0.022 -0.824 -17.116 1.00 74.35 H new ATOM 91 N TYR A 18 0.656 -5.163 -19.643 1.00 32.34 N ATOM 92 CA TYR A 18 1.323 -6.061 -20.578 1.00 32.53 C ATOM 93 C TYR A 18 0.924 -5.745 -22.016 1.00 1.31 C ATOM 94 O TYR A 18 -0.259 -5.727 -22.355 1.00 52.11 O ATOM 95 CB TYR A 18 0.982 -7.516 -20.251 1.00 61.40 C ATOM 96 CG TYR A 18 1.128 -7.858 -18.785 1.00 64.24 C ATOM 97 CD1 TYR A 18 2.311 -8.397 -18.292 1.00 53.23 C ATOM 98 CD2 TYR A 18 0.085 -7.644 -17.894 1.00 54.40 C ATOM 99 CE1 TYR A 18 2.449 -8.711 -16.954 1.00 72.32 C ATOM 100 CE2 TYR A 18 0.214 -7.954 -16.554 1.00 44.31 C ATOM 101 CZ TYR A 18 1.398 -8.487 -16.089 1.00 62.41 C ATOM 102 OH TYR A 18 1.531 -8.799 -14.755 1.00 51.03 O ATOM 0 H TYR A 18 -0.350 -5.309 -19.563 1.00 32.34 H new ATOM 0 HA TYR A 18 2.399 -5.915 -20.478 1.00 32.53 H new ATOM 0 HB2 TYR A 18 -0.043 -7.719 -20.562 1.00 61.40 H new ATOM 0 HB3 TYR A 18 1.628 -8.172 -20.834 1.00 61.40 H new ATOM 0 HD1 TYR A 18 3.136 -8.573 -18.967 1.00 53.23 H new ATOM 0 HD2 TYR A 18 -0.844 -7.228 -18.255 1.00 54.40 H new ATOM 0 HE1 TYR A 18 3.375 -9.130 -16.587 1.00 72.32 H new ATOM 0 HE2 TYR A 18 -0.607 -7.780 -15.875 1.00 44.31 H new ATOM 0 HH TYR A 18 0.701 -8.579 -14.283 1.00 51.03 H new ATOM 112 N VAL A 19 1.922 -5.495 -22.858 1.00 74.33 N ATOM 113 CA VAL A 19 1.677 -5.181 -24.261 1.00 3.21 C ATOM 114 C VAL A 19 2.552 -6.031 -25.175 1.00 73.43 C ATOM 115 O VAL A 19 3.683 -6.374 -24.829 1.00 54.24 O ATOM 116 CB VAL A 19 1.940 -3.692 -24.556 1.00 64.23 C ATOM 117 CG1 VAL A 19 1.509 -3.344 -25.973 1.00 33.33 C ATOM 118 CG2 VAL A 19 1.225 -2.813 -23.541 1.00 62.52 C ATOM 0 H VAL A 19 2.907 -5.504 -22.593 1.00 74.33 H new ATOM 0 HA VAL A 19 0.628 -5.403 -24.457 1.00 3.21 H new ATOM 0 HB VAL A 19 3.011 -3.507 -24.472 1.00 64.23 H new ATOM 0 HG11 VAL A 19 1.702 -2.288 -26.163 1.00 33.33 H new ATOM 0 HG12 VAL A 19 2.072 -3.950 -26.684 1.00 33.33 H new ATOM 0 HG13 VAL A 19 0.444 -3.544 -26.089 1.00 33.33 H new ATOM 0 HG21 VAL A 19 1.422 -1.765 -23.765 1.00 62.52 H new ATOM 0 HG22 VAL A 19 0.152 -2.999 -23.590 1.00 62.52 H new ATOM 0 HG23 VAL A 19 1.588 -3.045 -22.540 1.00 62.52 H new ATOM 128 N LYS A 20 2.021 -6.370 -26.345 1.00 52.44 N ATOM 129 CA LYS A 20 2.752 -7.179 -27.313 1.00 23.24 C ATOM 130 C LYS A 20 4.135 -6.592 -27.579 1.00 32.14 C ATOM 131 O LYS A 20 4.379 -5.402 -27.378 1.00 25.32 O ATOM 132 CB LYS A 20 1.968 -7.278 -28.623 1.00 32.11 C ATOM 133 CG LYS A 20 1.387 -5.953 -29.086 1.00 22.03 C ATOM 134 CD LYS A 20 1.250 -5.902 -30.598 1.00 71.21 C ATOM 135 CE LYS A 20 2.591 -5.657 -31.272 1.00 24.43 C ATOM 136 NZ LYS A 20 3.125 -4.300 -30.969 1.00 33.43 N ATOM 0 H LYS A 20 1.086 -6.096 -26.646 1.00 52.44 H new ATOM 0 HA LYS A 20 2.875 -8.178 -26.894 1.00 23.24 H new ATOM 0 HB2 LYS A 20 2.624 -7.669 -29.401 1.00 32.11 H new ATOM 0 HB3 LYS A 20 1.158 -7.997 -28.498 1.00 32.11 H new ATOM 0 HG2 LYS A 20 0.410 -5.802 -28.626 1.00 22.03 H new ATOM 0 HG3 LYS A 20 2.027 -5.137 -28.750 1.00 22.03 H new ATOM 0 HD2 LYS A 20 0.827 -6.840 -30.958 1.00 71.21 H new ATOM 0 HD3 LYS A 20 0.553 -5.111 -30.875 1.00 71.21 H new ATOM 0 HE2 LYS A 20 3.306 -6.411 -30.942 1.00 24.43 H new ATOM 0 HE3 LYS A 20 2.482 -5.772 -32.350 1.00 24.43 H new ATOM 0 HZ1 LYS A 20 3.245 -3.768 -31.855 1.00 33.43 H new ATOM 0 HZ2 LYS A 20 2.459 -3.795 -30.350 1.00 33.43 H new ATOM 0 HZ3 LYS A 20 4.044 -4.388 -30.490 1.00 33.43 H new ATOM 150 N PRO A 21 5.061 -7.444 -28.043 1.00 21.04 N ATOM 151 CA PRO A 21 6.434 -7.031 -28.348 1.00 21.00 C ATOM 152 C PRO A 21 6.509 -6.128 -29.575 1.00 34.24 C ATOM 153 O PRO A 21 5.521 -5.948 -30.287 1.00 35.45 O ATOM 154 CB PRO A 21 7.152 -8.356 -28.615 1.00 60.31 C ATOM 155 CG PRO A 21 6.076 -9.288 -29.055 1.00 20.11 C ATOM 156 CD PRO A 21 4.839 -8.876 -28.305 1.00 44.23 C ATOM 0 HA PRO A 21 6.873 -6.448 -27.539 1.00 21.00 H new ATOM 0 HB2 PRO A 21 7.917 -8.244 -29.383 1.00 60.31 H new ATOM 0 HB3 PRO A 21 7.652 -8.723 -27.719 1.00 60.31 H new ATOM 0 HG2 PRO A 21 5.919 -9.223 -30.132 1.00 20.11 H new ATOM 0 HG3 PRO A 21 6.341 -10.322 -28.833 1.00 20.11 H new ATOM 0 HD2 PRO A 21 3.937 -9.042 -28.895 1.00 44.23 H new ATOM 0 HD3 PRO A 21 4.723 -9.441 -27.380 1.00 44.23 H new ATOM 164 N VAL A 22 7.687 -5.562 -29.817 1.00 31.35 N ATOM 165 CA VAL A 22 7.891 -4.679 -30.959 1.00 33.15 C ATOM 166 C VAL A 22 8.757 -5.346 -32.021 1.00 52.23 C ATOM 167 O VAL A 22 9.546 -6.247 -31.738 1.00 62.35 O ATOM 168 CB VAL A 22 8.550 -3.354 -30.532 1.00 55.34 C ATOM 169 CG1 VAL A 22 7.540 -2.456 -29.833 1.00 23.35 C ATOM 170 CG2 VAL A 22 9.750 -3.620 -29.637 1.00 0.32 C ATOM 0 H VAL A 22 8.515 -5.699 -29.237 1.00 31.35 H new ATOM 0 HA VAL A 22 6.907 -4.469 -31.377 1.00 33.15 H new ATOM 0 HB VAL A 22 8.901 -2.838 -31.426 1.00 55.34 H new ATOM 0 HG11 VAL A 22 8.024 -1.525 -29.539 1.00 23.35 H new ATOM 0 HG12 VAL A 22 6.716 -2.238 -30.512 1.00 23.35 H new ATOM 0 HG13 VAL A 22 7.156 -2.961 -28.947 1.00 23.35 H new ATOM 0 HG21 VAL A 22 10.203 -2.673 -29.345 1.00 0.32 H new ATOM 0 HG22 VAL A 22 9.427 -4.158 -28.746 1.00 0.32 H new ATOM 0 HG23 VAL A 22 10.481 -4.221 -30.178 1.00 0.32 H new ATOM 180 N PRO A 23 8.608 -4.893 -33.275 1.00 71.42 N ATOM 181 CA PRO A 23 9.369 -5.431 -34.407 1.00 22.45 C ATOM 182 C PRO A 23 10.846 -5.057 -34.342 1.00 51.32 C ATOM 183 O PRO A 23 11.261 -4.203 -33.559 1.00 12.54 O ATOM 184 CB PRO A 23 8.705 -4.781 -35.622 1.00 51.25 C ATOM 185 CG PRO A 23 8.104 -3.523 -35.098 1.00 1.40 C ATOM 186 CD PRO A 23 7.685 -3.821 -33.685 1.00 24.21 C ATOM 0 HA PRO A 23 9.353 -6.521 -34.428 1.00 22.45 H new ATOM 0 HB2 PRO A 23 9.432 -4.575 -36.407 1.00 51.25 H new ATOM 0 HB3 PRO A 23 7.945 -5.433 -36.054 1.00 51.25 H new ATOM 0 HG2 PRO A 23 8.824 -2.705 -35.127 1.00 1.40 H new ATOM 0 HG3 PRO A 23 7.250 -3.218 -35.702 1.00 1.40 H new ATOM 0 HD2 PRO A 23 7.778 -2.944 -33.045 1.00 24.21 H new ATOM 0 HD3 PRO A 23 6.645 -4.144 -33.634 1.00 24.21 H new ATOM 194 N PRO A 24 11.660 -5.709 -35.185 1.00 70.13 N ATOM 195 CA PRO A 24 13.103 -5.460 -35.244 1.00 4.13 C ATOM 196 C PRO A 24 13.432 -4.091 -35.830 1.00 21.20 C ATOM 197 O PRO A 24 14.535 -3.574 -35.648 1.00 30.21 O ATOM 198 CB PRO A 24 13.619 -6.572 -36.161 1.00 35.15 C ATOM 199 CG PRO A 24 12.450 -6.934 -37.010 1.00 73.42 C ATOM 200 CD PRO A 24 11.234 -6.740 -36.147 1.00 10.31 C ATOM 0 HA PRO A 24 13.557 -5.461 -34.253 1.00 4.13 H new ATOM 0 HB2 PRO A 24 14.457 -6.229 -36.767 1.00 35.15 H new ATOM 0 HB3 PRO A 24 13.971 -7.428 -35.586 1.00 35.15 H new ATOM 0 HG2 PRO A 24 12.403 -6.304 -37.898 1.00 73.42 H new ATOM 0 HG3 PRO A 24 12.523 -7.965 -37.355 1.00 73.42 H new ATOM 0 HD2 PRO A 24 10.374 -6.413 -36.732 1.00 10.31 H new ATOM 0 HD3 PRO A 24 10.946 -7.664 -35.645 1.00 10.31 H new ATOM 208 N THR A 25 12.468 -3.507 -36.535 1.00 31.21 N ATOM 209 CA THR A 25 12.655 -2.199 -37.149 1.00 3.44 C ATOM 210 C THR A 25 12.420 -1.080 -36.140 1.00 54.24 C ATOM 211 O THR A 25 13.089 -0.048 -36.176 1.00 42.04 O ATOM 212 CB THR A 25 11.710 -2.000 -38.349 1.00 21.44 C ATOM 213 OG1 THR A 25 10.593 -2.890 -38.245 1.00 30.24 O ATOM 214 CG2 THR A 25 12.441 -2.247 -39.660 1.00 21.33 C ATOM 0 H THR A 25 11.549 -3.920 -36.695 1.00 31.21 H new ATOM 0 HA THR A 25 13.686 -2.159 -37.499 1.00 3.44 H new ATOM 0 HB THR A 25 11.356 -0.969 -38.338 1.00 21.44 H new ATOM 0 HG1 THR A 25 9.996 -2.756 -39.011 1.00 30.24 H new ATOM 0 HG21 THR A 25 11.754 -2.101 -40.493 1.00 21.33 H new ATOM 0 HG22 THR A 25 13.273 -1.549 -39.750 1.00 21.33 H new ATOM 0 HG23 THR A 25 12.821 -3.269 -39.678 1.00 21.33 H new ATOM 222 N ALA A 26 11.464 -1.291 -35.241 1.00 61.43 N ATOM 223 CA ALA A 26 11.142 -0.301 -34.221 1.00 63.21 C ATOM 224 C ALA A 26 12.295 -0.132 -33.238 1.00 3.43 C ATOM 225 O ALA A 26 12.541 -0.997 -32.396 1.00 54.14 O ATOM 226 CB ALA A 26 9.871 -0.697 -33.484 1.00 43.42 C ATOM 0 H ALA A 26 10.899 -2.139 -35.199 1.00 61.43 H new ATOM 0 HA ALA A 26 10.978 0.656 -34.717 1.00 63.21 H new ATOM 0 HB1 ALA A 26 9.642 0.051 -32.725 1.00 43.42 H new ATOM 0 HB2 ALA A 26 9.045 -0.760 -34.192 1.00 43.42 H new ATOM 0 HB3 ALA A 26 10.014 -1.666 -33.006 1.00 43.42 H new ATOM 232 N THR A 27 13.002 0.989 -33.349 1.00 21.02 N ATOM 233 CA THR A 27 14.131 1.271 -32.471 1.00 14.12 C ATOM 234 C THR A 27 13.668 1.923 -31.173 1.00 51.51 C ATOM 235 O THR A 27 12.505 2.308 -31.039 1.00 62.34 O ATOM 236 CB THR A 27 15.159 2.190 -33.156 1.00 3.51 C ATOM 237 OG1 THR A 27 14.606 3.499 -33.332 1.00 52.31 O ATOM 238 CG2 THR A 27 15.576 1.625 -34.505 1.00 65.11 C ATOM 0 H THR A 27 12.812 1.716 -34.039 1.00 21.02 H new ATOM 0 HA THR A 27 14.603 0.315 -32.246 1.00 14.12 H new ATOM 0 HB THR A 27 16.040 2.251 -32.517 1.00 3.51 H new ATOM 0 HG1 THR A 27 15.267 4.078 -33.767 1.00 52.31 H new ATOM 0 HG21 THR A 27 16.303 2.292 -34.970 1.00 65.11 H new ATOM 0 HG22 THR A 27 16.024 0.641 -34.365 1.00 65.11 H new ATOM 0 HG23 THR A 27 14.701 1.537 -35.149 1.00 65.11 H new ATOM 246 N LEU A 28 14.584 2.047 -30.219 1.00 70.41 N ATOM 247 CA LEU A 28 14.270 2.654 -28.930 1.00 52.15 C ATOM 248 C LEU A 28 13.863 4.114 -29.102 1.00 2.35 C ATOM 249 O LEU A 28 12.898 4.575 -28.492 1.00 64.33 O ATOM 250 CB LEU A 28 15.473 2.554 -27.991 1.00 14.53 C ATOM 251 CG LEU A 28 15.153 2.482 -26.497 1.00 42.40 C ATOM 252 CD1 LEU A 28 16.224 1.694 -25.760 1.00 23.04 C ATOM 253 CD2 LEU A 28 15.020 3.881 -25.912 1.00 61.11 C ATOM 0 H LEU A 28 15.551 1.735 -30.314 1.00 70.41 H new ATOM 0 HA LEU A 28 13.431 2.111 -28.494 1.00 52.15 H new ATOM 0 HB2 LEU A 28 16.048 1.669 -28.262 1.00 14.53 H new ATOM 0 HB3 LEU A 28 16.116 3.417 -28.163 1.00 14.53 H new ATOM 0 HG LEU A 28 14.201 1.966 -26.373 1.00 42.40 H new ATOM 0 HD11 LEU A 28 15.980 1.653 -24.698 1.00 23.04 H new ATOM 0 HD12 LEU A 28 16.271 0.681 -26.161 1.00 23.04 H new ATOM 0 HD13 LEU A 28 17.190 2.182 -25.892 1.00 23.04 H new ATOM 0 HD21 LEU A 28 14.792 3.810 -24.848 1.00 61.11 H new ATOM 0 HD22 LEU A 28 15.956 4.423 -26.048 1.00 61.11 H new ATOM 0 HD23 LEU A 28 14.216 4.413 -26.421 1.00 61.11 H new ATOM 265 N GLU A 29 14.605 4.836 -29.936 1.00 31.00 N ATOM 266 CA GLU A 29 14.320 6.244 -30.188 1.00 32.33 C ATOM 267 C GLU A 29 12.959 6.412 -30.858 1.00 21.22 C ATOM 268 O GLU A 29 12.193 7.311 -30.512 1.00 21.42 O ATOM 269 CB GLU A 29 15.412 6.859 -31.065 1.00 0.21 C ATOM 270 CG GLU A 29 15.260 8.358 -31.264 1.00 25.04 C ATOM 271 CD GLU A 29 16.343 9.152 -30.560 1.00 5.34 C ATOM 272 OE1 GLU A 29 16.031 9.811 -29.546 1.00 31.15 O ATOM 273 OE2 GLU A 29 17.503 9.116 -31.022 1.00 74.33 O ATOM 0 H GLU A 29 15.407 4.470 -30.448 1.00 31.00 H new ATOM 0 HA GLU A 29 14.300 6.762 -29.229 1.00 32.33 H new ATOM 0 HB2 GLU A 29 16.384 6.657 -30.615 1.00 0.21 H new ATOM 0 HB3 GLU A 29 15.403 6.369 -32.039 1.00 0.21 H new ATOM 0 HG2 GLU A 29 15.284 8.584 -32.330 1.00 25.04 H new ATOM 0 HG3 GLU A 29 14.285 8.673 -30.893 1.00 25.04 H new ATOM 280 N GLN A 30 12.667 5.541 -31.818 1.00 64.33 N ATOM 281 CA GLN A 30 11.400 5.594 -32.538 1.00 23.53 C ATOM 282 C GLN A 30 10.235 5.254 -31.614 1.00 2.21 C ATOM 283 O GLN A 30 9.203 5.926 -31.627 1.00 73.21 O ATOM 284 CB GLN A 30 11.423 4.629 -33.725 1.00 30.02 C ATOM 285 CG GLN A 30 11.186 5.307 -35.064 1.00 50.24 C ATOM 286 CD GLN A 30 12.413 6.038 -35.574 1.00 33.03 C ATOM 287 OE1 GLN A 30 13.062 6.776 -34.832 1.00 42.03 O ATOM 288 NE2 GLN A 30 12.737 5.836 -36.845 1.00 51.05 N ATOM 0 H GLN A 30 13.290 4.790 -32.115 1.00 64.33 H new ATOM 0 HA GLN A 30 11.263 6.610 -32.908 1.00 23.53 H new ATOM 0 HB2 GLN A 30 12.387 4.120 -33.750 1.00 30.02 H new ATOM 0 HB3 GLN A 30 10.662 3.863 -33.575 1.00 30.02 H new ATOM 0 HG2 GLN A 30 10.883 4.559 -35.797 1.00 50.24 H new ATOM 0 HG3 GLN A 30 10.361 6.013 -34.968 1.00 50.24 H new ATOM 0 HE21 GLN A 30 12.170 5.216 -37.423 1.00 51.05 H new ATOM 0 HE22 GLN A 30 13.553 6.301 -37.243 1.00 51.05 H new ATOM 297 N LEU A 31 10.407 4.208 -30.813 1.00 40.40 N ATOM 298 CA LEU A 31 9.369 3.779 -29.882 1.00 3.21 C ATOM 299 C LEU A 31 9.021 4.895 -28.902 1.00 50.34 C ATOM 300 O LEU A 31 7.850 5.221 -28.705 1.00 73.22 O ATOM 301 CB LEU A 31 9.826 2.537 -29.115 1.00 64.24 C ATOM 302 CG LEU A 31 9.101 1.234 -29.454 1.00 54.34 C ATOM 303 CD1 LEU A 31 9.630 0.091 -28.603 1.00 11.05 C ATOM 304 CD2 LEU A 31 7.600 1.395 -29.262 1.00 74.51 C ATOM 0 H LEU A 31 11.255 3.642 -30.789 1.00 40.40 H new ATOM 0 HA LEU A 31 8.477 3.535 -30.459 1.00 3.21 H new ATOM 0 HB2 LEU A 31 10.891 2.394 -29.296 1.00 64.24 H new ATOM 0 HB3 LEU A 31 9.707 2.729 -28.049 1.00 64.24 H new ATOM 0 HG LEU A 31 9.290 0.997 -30.501 1.00 54.34 H new ATOM 0 HD11 LEU A 31 9.102 -0.828 -28.859 1.00 11.05 H new ATOM 0 HD12 LEU A 31 10.696 -0.039 -28.790 1.00 11.05 H new ATOM 0 HD13 LEU A 31 9.472 0.319 -27.549 1.00 11.05 H new ATOM 0 HD21 LEU A 31 7.099 0.458 -29.508 1.00 74.51 H new ATOM 0 HD22 LEU A 31 7.392 1.657 -28.225 1.00 74.51 H new ATOM 0 HD23 LEU A 31 7.232 2.185 -29.916 1.00 74.51 H new ATOM 316 N THR A 32 10.046 5.481 -28.291 1.00 43.04 N ATOM 317 CA THR A 32 9.849 6.562 -27.333 1.00 63.54 C ATOM 318 C THR A 32 9.160 7.755 -27.985 1.00 34.23 C ATOM 319 O THR A 32 8.169 8.269 -27.467 1.00 32.33 O ATOM 320 CB THR A 32 11.187 7.025 -26.726 1.00 71.31 C ATOM 321 OG1 THR A 32 11.993 5.889 -26.392 1.00 15.02 O ATOM 322 CG2 THR A 32 10.953 7.870 -25.483 1.00 40.34 C ATOM 0 H THR A 32 11.022 5.225 -28.443 1.00 43.04 H new ATOM 0 HA THR A 32 9.215 6.169 -26.538 1.00 63.54 H new ATOM 0 HB THR A 32 11.706 7.633 -27.467 1.00 71.31 H new ATOM 0 HG1 THR A 32 12.472 5.582 -27.190 1.00 15.02 H new ATOM 0 HG21 THR A 32 11.912 8.185 -25.072 1.00 40.34 H new ATOM 0 HG22 THR A 32 10.364 8.749 -25.746 1.00 40.34 H new ATOM 0 HG23 THR A 32 10.415 7.282 -24.739 1.00 40.34 H new ATOM 330 N GLU A 33 9.690 8.190 -29.123 1.00 40.13 N ATOM 331 CA GLU A 33 9.124 9.324 -29.845 1.00 31.14 C ATOM 332 C GLU A 33 7.633 9.118 -30.098 1.00 64.05 C ATOM 333 O GLU A 33 6.805 9.935 -29.697 1.00 0.52 O ATOM 334 CB GLU A 33 9.855 9.528 -31.173 1.00 42.30 C ATOM 335 CG GLU A 33 9.819 10.963 -31.673 1.00 71.54 C ATOM 336 CD GLU A 33 10.910 11.255 -32.685 1.00 2.32 C ATOM 337 OE1 GLU A 33 10.636 11.991 -33.656 1.00 71.12 O ATOM 338 OE2 GLU A 33 12.037 10.749 -32.505 1.00 45.34 O ATOM 0 H GLU A 33 10.510 7.775 -29.565 1.00 40.13 H new ATOM 0 HA GLU A 33 9.251 10.214 -29.229 1.00 31.14 H new ATOM 0 HB2 GLU A 33 10.894 9.218 -31.058 1.00 42.30 H new ATOM 0 HB3 GLU A 33 9.410 8.878 -31.927 1.00 42.30 H new ATOM 0 HG2 GLU A 33 8.847 11.162 -32.124 1.00 71.54 H new ATOM 0 HG3 GLU A 33 9.923 11.642 -30.826 1.00 71.54 H new ATOM 345 N PHE A 34 7.300 8.020 -30.769 1.00 15.04 N ATOM 346 CA PHE A 34 5.909 7.706 -31.078 1.00 45.31 C ATOM 347 C PHE A 34 5.056 7.713 -29.813 1.00 72.23 C ATOM 348 O PHE A 34 3.944 8.242 -29.804 1.00 2.02 O ATOM 349 CB PHE A 34 5.813 6.342 -31.765 1.00 0.40 C ATOM 350 CG PHE A 34 5.466 6.429 -33.224 1.00 14.13 C ATOM 351 CD1 PHE A 34 4.289 7.034 -33.634 1.00 51.34 C ATOM 352 CD2 PHE A 34 6.316 5.905 -34.184 1.00 73.11 C ATOM 353 CE1 PHE A 34 3.966 7.116 -34.976 1.00 3.10 C ATOM 354 CE2 PHE A 34 5.999 5.984 -35.527 1.00 14.10 C ATOM 355 CZ PHE A 34 4.822 6.589 -35.923 1.00 40.34 C ATOM 0 H PHE A 34 7.973 7.333 -31.109 1.00 15.04 H new ATOM 0 HA PHE A 34 5.530 8.473 -31.754 1.00 45.31 H new ATOM 0 HB2 PHE A 34 6.765 5.822 -31.656 1.00 0.40 H new ATOM 0 HB3 PHE A 34 5.060 5.740 -31.256 1.00 0.40 H new ATOM 0 HD1 PHE A 34 3.616 7.446 -32.897 1.00 51.34 H new ATOM 0 HD2 PHE A 34 7.237 5.429 -33.880 1.00 73.11 H new ATOM 0 HE1 PHE A 34 3.046 7.591 -35.283 1.00 3.10 H new ATOM 0 HE2 PHE A 34 6.671 5.573 -36.266 1.00 14.10 H new ATOM 0 HZ PHE A 34 4.572 6.650 -36.972 1.00 40.34 H new ATOM 365 N PHE A 35 5.584 7.120 -28.747 1.00 53.44 N ATOM 366 CA PHE A 35 4.871 7.056 -27.477 1.00 34.10 C ATOM 367 C PHE A 35 4.470 8.451 -27.007 1.00 15.10 C ATOM 368 O PHE A 35 3.295 8.719 -26.754 1.00 70.12 O ATOM 369 CB PHE A 35 5.738 6.377 -26.415 1.00 1.42 C ATOM 370 CG PHE A 35 5.366 4.944 -26.163 1.00 44.04 C ATOM 371 CD1 PHE A 35 4.090 4.609 -25.741 1.00 40.30 C ATOM 372 CD2 PHE A 35 6.294 3.931 -26.349 1.00 12.32 C ATOM 373 CE1 PHE A 35 3.745 3.291 -25.509 1.00 54.21 C ATOM 374 CE2 PHE A 35 5.954 2.612 -26.119 1.00 20.41 C ATOM 375 CZ PHE A 35 4.678 2.291 -25.697 1.00 43.24 C ATOM 0 H PHE A 35 6.503 6.677 -28.738 1.00 53.44 H new ATOM 0 HA PHE A 35 3.965 6.468 -27.627 1.00 34.10 H new ATOM 0 HB2 PHE A 35 6.782 6.424 -26.726 1.00 1.42 H new ATOM 0 HB3 PHE A 35 5.658 6.934 -25.482 1.00 1.42 H new ATOM 0 HD1 PHE A 35 3.356 5.387 -25.591 1.00 40.30 H new ATOM 0 HD2 PHE A 35 7.293 4.176 -26.677 1.00 12.32 H new ATOM 0 HE1 PHE A 35 2.746 3.044 -25.181 1.00 54.21 H new ATOM 0 HE2 PHE A 35 6.685 1.832 -26.269 1.00 20.41 H new ATOM 0 HZ PHE A 35 4.411 1.260 -25.515 1.00 43.24 H new ATOM 385 N SER A 36 5.455 9.336 -26.892 1.00 14.12 N ATOM 386 CA SER A 36 5.206 10.703 -26.448 1.00 22.20 C ATOM 387 C SER A 36 4.180 11.387 -27.345 1.00 53.34 C ATOM 388 O SER A 36 3.376 12.198 -26.884 1.00 32.42 O ATOM 389 CB SER A 36 6.509 11.504 -26.441 1.00 45.13 C ATOM 390 OG SER A 36 7.545 10.788 -25.791 1.00 61.11 O ATOM 0 H SER A 36 6.432 9.131 -27.100 1.00 14.12 H new ATOM 0 HA SER A 36 4.807 10.663 -25.435 1.00 22.20 H new ATOM 0 HB2 SER A 36 6.806 11.730 -27.465 1.00 45.13 H new ATOM 0 HB3 SER A 36 6.351 12.458 -25.937 1.00 45.13 H new ATOM 0 HG SER A 36 8.367 11.321 -25.802 1.00 61.11 H new ATOM 396 N LYS A 37 4.213 11.056 -28.632 1.00 21.54 N ATOM 397 CA LYS A 37 3.286 11.636 -29.596 1.00 62.42 C ATOM 398 C LYS A 37 1.841 11.338 -29.209 1.00 62.11 C ATOM 399 O LYS A 37 0.955 12.173 -29.391 1.00 75.02 O ATOM 400 CB LYS A 37 3.572 11.093 -30.999 1.00 12.55 C ATOM 401 CG LYS A 37 3.627 12.171 -32.068 1.00 20.04 C ATOM 402 CD LYS A 37 2.516 11.999 -33.090 1.00 42.41 C ATOM 403 CE LYS A 37 2.980 11.180 -34.285 1.00 1.22 C ATOM 404 NZ LYS A 37 3.275 12.039 -35.465 1.00 64.11 N ATOM 0 H LYS A 37 4.873 10.388 -29.031 1.00 21.54 H new ATOM 0 HA LYS A 37 3.428 12.717 -29.595 1.00 62.42 H new ATOM 0 HB2 LYS A 37 4.521 10.557 -30.986 1.00 12.55 H new ATOM 0 HB3 LYS A 37 2.801 10.369 -31.264 1.00 12.55 H new ATOM 0 HG2 LYS A 37 3.544 13.152 -31.601 1.00 20.04 H new ATOM 0 HG3 LYS A 37 4.594 12.137 -32.571 1.00 20.04 H new ATOM 0 HD2 LYS A 37 1.662 11.510 -32.622 1.00 42.41 H new ATOM 0 HD3 LYS A 37 2.176 12.978 -33.428 1.00 42.41 H new ATOM 0 HE2 LYS A 37 3.873 10.616 -34.014 1.00 1.22 H new ATOM 0 HE3 LYS A 37 2.211 10.453 -34.548 1.00 1.22 H new ATOM 0 HZ1 LYS A 37 3.588 11.444 -36.258 1.00 64.11 H new ATOM 0 HZ2 LYS A 37 2.417 12.558 -35.740 1.00 64.11 H new ATOM 0 HZ3 LYS A 37 4.027 12.716 -35.223 1.00 64.11 H new ATOM 418 N HIS A 38 1.611 10.144 -28.673 1.00 72.51 N ATOM 419 CA HIS A 38 0.273 9.737 -28.258 1.00 71.11 C ATOM 420 C HIS A 38 0.333 8.868 -27.006 1.00 22.14 C ATOM 421 O HIS A 38 0.825 7.741 -27.043 1.00 23.01 O ATOM 422 CB HIS A 38 -0.425 8.978 -29.387 1.00 32.53 C ATOM 423 CG HIS A 38 -1.834 8.585 -29.063 1.00 1.22 C ATOM 424 ND1 HIS A 38 -2.700 9.400 -28.365 1.00 34.42 N ATOM 425 CD2 HIS A 38 -2.526 7.457 -29.347 1.00 54.51 C ATOM 426 CE1 HIS A 38 -3.864 8.789 -28.232 1.00 55.22 C ATOM 427 NE2 HIS A 38 -3.785 7.609 -28.820 1.00 54.01 N ATOM 0 H HIS A 38 2.333 9.441 -28.516 1.00 72.51 H new ATOM 0 HA HIS A 38 -0.298 10.636 -28.027 1.00 71.11 H new ATOM 0 HB2 HIS A 38 -0.426 9.598 -30.284 1.00 32.53 H new ATOM 0 HB3 HIS A 38 0.149 8.081 -29.620 1.00 32.53 H new ATOM 0 HD2 HIS A 38 -2.157 6.598 -29.887 1.00 54.51 H new ATOM 0 HE1 HIS A 38 -4.732 9.187 -27.728 1.00 55.22 H new ATOM 0 HE2 HIS A 38 -4.537 6.922 -28.874 1.00 54.01 H new ATOM 435 N GLY A 39 -0.171 9.401 -25.896 1.00 65.23 N ATOM 436 CA GLY A 39 -0.163 8.661 -24.648 1.00 71.51 C ATOM 437 C GLY A 39 1.031 9.002 -23.779 1.00 33.13 C ATOM 438 O GLY A 39 2.132 9.228 -24.282 1.00 74.33 O ATOM 0 H GLY A 39 -0.584 10.332 -25.840 1.00 65.23 H new ATOM 0 HA2 GLY A 39 -1.080 8.872 -24.098 1.00 71.51 H new ATOM 0 HA3 GLY A 39 -0.159 7.592 -24.863 1.00 71.51 H new ATOM 442 N THR A 40 0.814 9.042 -22.468 1.00 21.35 N ATOM 443 CA THR A 40 1.880 9.361 -21.526 1.00 72.11 C ATOM 444 C THR A 40 2.243 8.149 -20.675 1.00 51.42 C ATOM 445 O THR A 40 1.424 7.654 -19.901 1.00 71.21 O ATOM 446 CB THR A 40 1.481 10.524 -20.599 1.00 15.22 C ATOM 447 OG1 THR A 40 1.031 11.639 -21.377 1.00 44.21 O ATOM 448 CG2 THR A 40 2.653 10.948 -19.726 1.00 74.53 C ATOM 0 H THR A 40 -0.091 8.857 -22.034 1.00 21.35 H new ATOM 0 HA THR A 40 2.746 9.658 -22.118 1.00 72.11 H new ATOM 0 HB THR A 40 0.672 10.183 -19.953 1.00 15.22 H new ATOM 0 HG1 THR A 40 0.778 12.374 -20.780 1.00 44.21 H new ATOM 0 HG21 THR A 40 2.347 11.771 -19.080 1.00 74.53 H new ATOM 0 HG22 THR A 40 2.974 10.106 -19.113 1.00 74.53 H new ATOM 0 HG23 THR A 40 3.479 11.272 -20.359 1.00 74.53 H new ATOM 456 N VAL A 41 3.476 7.676 -20.823 1.00 4.40 N ATOM 457 CA VAL A 41 3.949 6.523 -20.066 1.00 52.21 C ATOM 458 C VAL A 41 5.113 6.901 -19.158 1.00 4.50 C ATOM 459 O VAL A 41 5.936 7.747 -19.508 1.00 63.10 O ATOM 460 CB VAL A 41 4.391 5.381 -21.001 1.00 13.44 C ATOM 461 CG1 VAL A 41 3.227 4.917 -21.864 1.00 5.30 C ATOM 462 CG2 VAL A 41 5.563 5.823 -21.864 1.00 11.14 C ATOM 0 H VAL A 41 4.166 8.074 -21.460 1.00 4.40 H new ATOM 0 HA VAL A 41 3.113 6.181 -19.456 1.00 52.21 H new ATOM 0 HB VAL A 41 4.717 4.539 -20.390 1.00 13.44 H new ATOM 0 HG11 VAL A 41 3.558 4.110 -22.518 1.00 5.30 H new ATOM 0 HG12 VAL A 41 2.420 4.558 -21.225 1.00 5.30 H new ATOM 0 HG13 VAL A 41 2.868 5.750 -22.469 1.00 5.30 H new ATOM 0 HG21 VAL A 41 5.862 5.004 -22.518 1.00 11.14 H new ATOM 0 HG22 VAL A 41 5.267 6.681 -22.468 1.00 11.14 H new ATOM 0 HG23 VAL A 41 6.401 6.101 -21.225 1.00 11.14 H new ATOM 472 N GLN A 42 5.176 6.269 -17.991 1.00 11.14 N ATOM 473 CA GLN A 42 6.240 6.540 -17.032 1.00 25.03 C ATOM 474 C GLN A 42 7.548 5.888 -17.471 1.00 54.50 C ATOM 475 O GLN A 42 8.551 6.569 -17.684 1.00 74.11 O ATOM 476 CB GLN A 42 5.846 6.034 -15.643 1.00 70.32 C ATOM 477 CG GLN A 42 6.606 6.706 -14.512 1.00 2.33 C ATOM 478 CD GLN A 42 7.717 5.837 -13.957 1.00 30.51 C ATOM 479 OE1 GLN A 42 7.465 4.884 -13.219 1.00 20.51 O ATOM 480 NE2 GLN A 42 8.955 6.160 -14.310 1.00 44.41 N ATOM 0 H GLN A 42 4.503 5.566 -17.687 1.00 11.14 H new ATOM 0 HA GLN A 42 6.389 7.619 -16.989 1.00 25.03 H new ATOM 0 HB2 GLN A 42 4.778 6.194 -15.497 1.00 70.32 H new ATOM 0 HB3 GLN A 42 6.017 4.959 -15.595 1.00 70.32 H new ATOM 0 HG2 GLN A 42 7.029 7.644 -14.871 1.00 2.33 H new ATOM 0 HG3 GLN A 42 5.911 6.956 -13.711 1.00 2.33 H new ATOM 0 HE21 GLN A 42 9.119 6.958 -14.924 1.00 44.41 H new ATOM 0 HE22 GLN A 42 9.743 5.610 -13.968 1.00 44.41 H new ATOM 489 N ALA A 43 7.529 4.566 -17.604 1.00 55.31 N ATOM 490 CA ALA A 43 8.712 3.823 -18.020 1.00 13.24 C ATOM 491 C ALA A 43 8.329 2.483 -18.639 1.00 10.23 C ATOM 492 O ALA A 43 7.192 2.030 -18.508 1.00 60.40 O ATOM 493 CB ALA A 43 9.645 3.613 -16.837 1.00 22.14 C ATOM 0 H ALA A 43 6.707 3.987 -17.430 1.00 55.31 H new ATOM 0 HA ALA A 43 9.231 4.409 -18.779 1.00 13.24 H new ATOM 0 HB1 ALA A 43 10.524 3.057 -17.161 1.00 22.14 H new ATOM 0 HB2 ALA A 43 9.953 4.580 -16.441 1.00 22.14 H new ATOM 0 HB3 ALA A 43 9.127 3.051 -16.060 1.00 22.14 H new ATOM 499 N VAL A 44 9.285 1.854 -19.314 1.00 64.21 N ATOM 500 CA VAL A 44 9.048 0.565 -19.953 1.00 45.15 C ATOM 501 C VAL A 44 10.271 -0.338 -19.839 1.00 20.43 C ATOM 502 O VAL A 44 11.408 0.132 -19.869 1.00 41.23 O ATOM 503 CB VAL A 44 8.687 0.735 -21.441 1.00 71.41 C ATOM 504 CG1 VAL A 44 9.847 1.354 -22.205 1.00 52.54 C ATOM 505 CG2 VAL A 44 8.291 -0.603 -22.049 1.00 4.25 C ATOM 0 H VAL A 44 10.231 2.216 -19.433 1.00 64.21 H new ATOM 0 HA VAL A 44 8.209 0.103 -19.433 1.00 45.15 H new ATOM 0 HB VAL A 44 7.834 1.409 -21.515 1.00 71.41 H new ATOM 0 HG11 VAL A 44 9.573 1.466 -23.254 1.00 52.54 H new ATOM 0 HG12 VAL A 44 10.079 2.332 -21.784 1.00 52.54 H new ATOM 0 HG13 VAL A 44 10.721 0.708 -22.125 1.00 52.54 H new ATOM 0 HG21 VAL A 44 8.039 -0.465 -23.100 1.00 4.25 H new ATOM 0 HG22 VAL A 44 9.123 -1.302 -21.964 1.00 4.25 H new ATOM 0 HG23 VAL A 44 7.427 -1.002 -21.518 1.00 4.25 H new ATOM 515 N TRP A 45 10.029 -1.638 -19.707 1.00 1.50 N ATOM 516 CA TRP A 45 11.111 -2.608 -19.588 1.00 23.10 C ATOM 517 C TRP A 45 10.630 -4.008 -19.953 1.00 53.11 C ATOM 518 O TRP A 45 9.427 -4.255 -20.048 1.00 24.52 O ATOM 519 CB TRP A 45 11.674 -2.604 -18.166 1.00 12.33 C ATOM 520 CG TRP A 45 13.169 -2.511 -18.119 1.00 20.45 C ATOM 521 CD1 TRP A 45 13.937 -1.451 -18.507 1.00 24.32 C ATOM 522 CD2 TRP A 45 14.076 -3.520 -17.659 1.00 13.43 C ATOM 523 NE1 TRP A 45 15.267 -1.740 -18.316 1.00 43.30 N ATOM 524 CE2 TRP A 45 15.379 -3.002 -17.796 1.00 14.00 C ATOM 525 CE3 TRP A 45 13.914 -4.808 -17.143 1.00 31.05 C ATOM 526 CZ2 TRP A 45 16.510 -3.730 -17.437 1.00 10.43 C ATOM 527 CZ3 TRP A 45 15.038 -5.529 -16.787 1.00 32.03 C ATOM 528 CH2 TRP A 45 16.322 -4.989 -16.934 1.00 41.52 C ATOM 0 H TRP A 45 9.094 -2.044 -19.680 1.00 1.50 H new ATOM 0 HA TRP A 45 11.899 -2.322 -20.284 1.00 23.10 H new ATOM 0 HB2 TRP A 45 11.248 -1.765 -17.617 1.00 12.33 H new ATOM 0 HB3 TRP A 45 11.358 -3.513 -17.655 1.00 12.33 H new ATOM 0 HD1 TRP A 45 13.556 -0.522 -18.905 1.00 24.32 H new ATOM 0 HE1 TRP A 45 16.045 -1.115 -18.527 1.00 43.30 H new ATOM 0 HE3 TRP A 45 12.928 -5.233 -17.024 1.00 31.05 H new ATOM 0 HZ2 TRP A 45 17.501 -3.316 -17.551 1.00 10.43 H new ATOM 0 HZ3 TRP A 45 14.924 -6.526 -16.388 1.00 32.03 H new ATOM 0 HH2 TRP A 45 17.180 -5.577 -16.645 1.00 41.52 H new ATOM 539 N ARG A 46 11.575 -4.920 -20.157 1.00 13.22 N ATOM 540 CA ARG A 46 11.246 -6.295 -20.513 1.00 14.24 C ATOM 541 C ARG A 46 12.401 -7.234 -20.179 1.00 32.22 C ATOM 542 O ARG A 46 13.568 -6.890 -20.368 1.00 32.44 O ATOM 543 CB ARG A 46 10.909 -6.392 -22.002 1.00 31.23 C ATOM 544 CG ARG A 46 12.002 -5.852 -22.910 1.00 14.03 C ATOM 545 CD ARG A 46 11.812 -4.369 -23.187 1.00 44.15 C ATOM 546 NE ARG A 46 11.464 -4.113 -24.582 1.00 72.45 N ATOM 547 CZ ARG A 46 11.300 -2.896 -25.088 1.00 11.11 C ATOM 548 NH1 ARG A 46 11.453 -1.828 -24.317 1.00 33.33 N ATOM 549 NH2 ARG A 46 10.983 -2.745 -26.368 1.00 0.45 N ATOM 0 H ARG A 46 12.575 -4.731 -20.082 1.00 13.22 H new ATOM 0 HA ARG A 46 10.376 -6.597 -19.930 1.00 14.24 H new ATOM 0 HB2 ARG A 46 10.720 -7.435 -22.256 1.00 31.23 H new ATOM 0 HB3 ARG A 46 9.986 -5.845 -22.193 1.00 31.23 H new ATOM 0 HG2 ARG A 46 12.975 -6.015 -22.447 1.00 14.03 H new ATOM 0 HG3 ARG A 46 12.000 -6.402 -23.851 1.00 14.03 H new ATOM 0 HD2 ARG A 46 11.027 -3.977 -22.540 1.00 44.15 H new ATOM 0 HD3 ARG A 46 12.728 -3.833 -22.938 1.00 44.15 H new ATOM 0 HE ARG A 46 11.340 -4.913 -25.202 1.00 72.45 H new ATOM 0 HH11 ARG A 46 11.697 -1.940 -23.333 1.00 33.33 H new ATOM 0 HH12 ARG A 46 11.327 -0.894 -24.708 1.00 33.33 H new ATOM 0 HH21 ARG A 46 10.865 -3.564 -26.964 1.00 0.45 H new ATOM 0 HH22 ARG A 46 10.857 -1.810 -26.755 1.00 0.45 H new ATOM 563 N ARG A 47 12.067 -8.421 -19.681 1.00 42.44 N ATOM 564 CA ARG A 47 13.076 -9.409 -19.320 1.00 4.43 C ATOM 565 C ARG A 47 12.554 -10.825 -19.539 1.00 34.21 C ATOM 566 O ARG A 47 11.349 -11.038 -19.680 1.00 61.41 O ATOM 567 CB ARG A 47 13.497 -9.229 -17.860 1.00 14.32 C ATOM 568 CG ARG A 47 12.359 -9.421 -16.870 1.00 52.25 C ATOM 569 CD ARG A 47 12.296 -8.281 -15.866 1.00 33.02 C ATOM 570 NE ARG A 47 10.931 -8.027 -15.412 1.00 2.44 N ATOM 571 CZ ARG A 47 10.564 -6.924 -14.769 1.00 3.43 C ATOM 572 NH1 ARG A 47 11.456 -5.978 -14.506 1.00 55.22 N ATOM 573 NH2 ARG A 47 9.303 -6.765 -14.387 1.00 43.14 N ATOM 0 H ARG A 47 11.106 -8.721 -19.519 1.00 42.44 H new ATOM 0 HA ARG A 47 13.943 -9.257 -19.963 1.00 4.43 H new ATOM 0 HB2 ARG A 47 14.291 -9.939 -17.630 1.00 14.32 H new ATOM 0 HB3 ARG A 47 13.915 -8.230 -17.732 1.00 14.32 H new ATOM 0 HG2 ARG A 47 11.414 -9.485 -17.409 1.00 52.25 H new ATOM 0 HG3 ARG A 47 12.490 -10.366 -16.342 1.00 52.25 H new ATOM 0 HD2 ARG A 47 12.925 -8.518 -15.008 1.00 33.02 H new ATOM 0 HD3 ARG A 47 12.702 -7.376 -16.319 1.00 33.02 H new ATOM 0 HE ARG A 47 10.221 -8.735 -15.599 1.00 2.44 H new ATOM 0 HH11 ARG A 47 12.426 -6.097 -14.798 1.00 55.22 H new ATOM 0 HH12 ARG A 47 11.172 -5.132 -14.012 1.00 55.22 H new ATOM 0 HH21 ARG A 47 8.614 -7.490 -14.587 1.00 43.14 H new ATOM 0 HH22 ARG A 47 9.023 -5.918 -13.893 1.00 43.14 H new ATOM 587 N TYR A 48 13.467 -11.789 -19.567 1.00 33.43 N ATOM 588 CA TYR A 48 13.098 -13.185 -19.772 1.00 24.23 C ATOM 589 C TYR A 48 14.044 -14.115 -19.017 1.00 43.34 C ATOM 590 O TYR A 48 15.253 -14.114 -19.253 1.00 32.23 O ATOM 591 CB TYR A 48 13.114 -13.525 -21.263 1.00 54.21 C ATOM 592 CG TYR A 48 14.368 -13.070 -21.975 1.00 31.42 C ATOM 593 CD1 TYR A 48 15.430 -13.944 -22.178 1.00 55.42 C ATOM 594 CD2 TYR A 48 14.492 -11.768 -22.443 1.00 31.22 C ATOM 595 CE1 TYR A 48 16.578 -13.533 -22.827 1.00 52.13 C ATOM 596 CE2 TYR A 48 15.636 -11.349 -23.094 1.00 72.22 C ATOM 597 CZ TYR A 48 16.676 -12.235 -23.284 1.00 31.01 C ATOM 598 OH TYR A 48 17.818 -11.821 -23.931 1.00 74.10 O ATOM 0 H TYR A 48 14.468 -11.630 -19.450 1.00 33.43 H new ATOM 0 HA TYR A 48 12.090 -13.328 -19.384 1.00 24.23 H new ATOM 0 HB2 TYR A 48 13.010 -14.603 -21.382 1.00 54.21 H new ATOM 0 HB3 TYR A 48 12.248 -13.066 -21.741 1.00 54.21 H new ATOM 0 HD1 TYR A 48 15.356 -14.961 -21.822 1.00 55.42 H new ATOM 0 HD2 TYR A 48 13.680 -11.071 -22.295 1.00 31.22 H new ATOM 0 HE1 TYR A 48 17.394 -14.224 -22.976 1.00 52.13 H new ATOM 0 HE2 TYR A 48 15.716 -10.333 -23.452 1.00 72.22 H new ATOM 0 HH TYR A 48 17.725 -10.880 -24.189 1.00 74.10 H new ATOM 608 N PHE A 49 13.485 -14.907 -18.109 1.00 72.54 N ATOM 609 CA PHE A 49 14.277 -15.843 -17.319 1.00 52.30 C ATOM 610 C PHE A 49 14.540 -17.127 -18.099 1.00 71.33 C ATOM 611 O PHE A 49 13.614 -17.871 -18.422 1.00 20.14 O ATOM 612 CB PHE A 49 13.561 -16.168 -16.006 1.00 40.43 C ATOM 613 CG PHE A 49 14.222 -15.567 -14.799 1.00 13.34 C ATOM 614 CD1 PHE A 49 14.618 -16.367 -13.739 1.00 54.20 C ATOM 615 CD2 PHE A 49 14.446 -14.201 -14.723 1.00 24.51 C ATOM 616 CE1 PHE A 49 15.226 -15.817 -12.626 1.00 62.14 C ATOM 617 CE2 PHE A 49 15.055 -13.646 -13.613 1.00 71.32 C ATOM 618 CZ PHE A 49 15.444 -14.455 -12.563 1.00 42.21 C ATOM 0 H PHE A 49 12.486 -14.920 -17.902 1.00 72.54 H new ATOM 0 HA PHE A 49 15.234 -15.372 -17.096 1.00 52.30 H new ATOM 0 HB2 PHE A 49 12.533 -15.810 -16.064 1.00 40.43 H new ATOM 0 HB3 PHE A 49 13.515 -17.250 -15.884 1.00 40.43 H new ATOM 0 HD1 PHE A 49 14.450 -17.433 -13.783 1.00 54.20 H new ATOM 0 HD2 PHE A 49 14.141 -13.564 -15.540 1.00 24.51 H new ATOM 0 HE1 PHE A 49 15.530 -16.452 -11.807 1.00 62.14 H new ATOM 0 HE2 PHE A 49 15.227 -12.581 -13.567 1.00 71.32 H new ATOM 0 HZ PHE A 49 15.918 -14.023 -11.694 1.00 42.21 H new ATOM 628 N ALA A 50 15.810 -17.380 -18.400 1.00 35.30 N ATOM 629 CA ALA A 50 16.196 -18.575 -19.141 1.00 13.32 C ATOM 630 C ALA A 50 16.210 -19.802 -18.235 1.00 50.34 C ATOM 631 O ALA A 50 16.004 -20.925 -18.693 1.00 34.04 O ATOM 632 CB ALA A 50 17.559 -18.377 -19.787 1.00 20.31 C ATOM 0 H ALA A 50 16.589 -16.774 -18.142 1.00 35.30 H new ATOM 0 HA ALA A 50 15.456 -18.743 -19.924 1.00 13.32 H new ATOM 0 HB1 ALA A 50 17.835 -19.277 -20.337 1.00 20.31 H new ATOM 0 HB2 ALA A 50 17.517 -17.531 -20.473 1.00 20.31 H new ATOM 0 HB3 ALA A 50 18.303 -18.181 -19.015 1.00 20.31 H new ATOM 638 N GLY A 51 16.456 -19.579 -16.948 1.00 11.32 N ATOM 639 CA GLY A 51 16.493 -20.676 -15.999 1.00 24.11 C ATOM 640 C GLY A 51 17.874 -21.290 -15.877 1.00 72.53 C ATOM 641 O GLY A 51 18.402 -21.847 -16.841 1.00 14.53 O ATOM 0 H GLY A 51 16.630 -18.658 -16.546 1.00 11.32 H new ATOM 0 HA2 GLY A 51 16.170 -20.318 -15.021 1.00 24.11 H new ATOM 0 HA3 GLY A 51 15.783 -21.444 -16.308 1.00 24.11 H new ATOM 645 N LYS A 52 18.462 -21.189 -14.690 1.00 61.43 N ATOM 646 CA LYS A 52 19.790 -21.739 -14.445 1.00 1.13 C ATOM 647 C LYS A 52 19.843 -22.455 -13.099 1.00 15.53 C ATOM 648 O LYS A 52 20.724 -22.195 -12.280 1.00 24.04 O ATOM 649 CB LYS A 52 20.840 -20.626 -14.484 1.00 62.30 C ATOM 650 CG LYS A 52 22.240 -21.122 -14.803 1.00 71.14 C ATOM 651 CD LYS A 52 22.522 -21.074 -16.296 1.00 13.32 C ATOM 652 CE LYS A 52 23.848 -20.390 -16.591 1.00 21.33 C ATOM 653 NZ LYS A 52 23.768 -18.916 -16.397 1.00 34.02 N ATOM 0 H LYS A 52 18.040 -20.731 -13.882 1.00 61.43 H new ATOM 0 HA LYS A 52 20.007 -22.463 -15.230 1.00 1.13 H new ATOM 0 HB2 LYS A 52 20.547 -19.887 -15.230 1.00 62.30 H new ATOM 0 HB3 LYS A 52 20.854 -20.118 -13.520 1.00 62.30 H new ATOM 0 HG2 LYS A 52 22.972 -20.512 -14.274 1.00 71.14 H new ATOM 0 HG3 LYS A 52 22.356 -22.144 -14.443 1.00 71.14 H new ATOM 0 HD2 LYS A 52 22.537 -22.087 -16.697 1.00 13.32 H new ATOM 0 HD3 LYS A 52 21.717 -20.542 -16.803 1.00 13.32 H new ATOM 0 HE2 LYS A 52 24.621 -20.800 -15.941 1.00 21.33 H new ATOM 0 HE3 LYS A 52 24.147 -20.605 -17.617 1.00 21.33 H new ATOM 0 HZ1 LYS A 52 24.692 -18.487 -16.608 1.00 34.02 H new ATOM 0 HZ2 LYS A 52 23.049 -18.520 -17.036 1.00 34.02 H new ATOM 0 HZ3 LYS A 52 23.508 -18.709 -15.412 1.00 34.02 H new ATOM 667 N LYS A 53 18.894 -23.358 -12.877 1.00 15.45 N ATOM 668 CA LYS A 53 18.832 -24.113 -11.631 1.00 64.52 C ATOM 669 C LYS A 53 18.200 -25.483 -11.857 1.00 22.24 C ATOM 670 O LYS A 53 17.751 -25.796 -12.959 1.00 72.03 O ATOM 671 CB LYS A 53 18.035 -23.339 -10.579 1.00 64.01 C ATOM 672 CG LYS A 53 16.622 -22.997 -11.017 1.00 51.21 C ATOM 673 CD LYS A 53 16.500 -21.536 -11.416 1.00 10.41 C ATOM 674 CE LYS A 53 15.165 -21.250 -12.087 1.00 30.44 C ATOM 675 NZ LYS A 53 14.866 -19.792 -12.130 1.00 65.11 N ATOM 0 H LYS A 53 18.157 -23.585 -13.544 1.00 15.45 H new ATOM 0 HA LYS A 53 19.851 -24.256 -11.271 1.00 64.52 H new ATOM 0 HB2 LYS A 53 17.990 -23.928 -9.663 1.00 64.01 H new ATOM 0 HB3 LYS A 53 18.565 -22.417 -10.339 1.00 64.01 H new ATOM 0 HG2 LYS A 53 16.338 -23.630 -11.858 1.00 51.21 H new ATOM 0 HG3 LYS A 53 15.926 -23.213 -10.206 1.00 51.21 H new ATOM 0 HD2 LYS A 53 16.606 -20.907 -10.532 1.00 10.41 H new ATOM 0 HD3 LYS A 53 17.312 -21.274 -12.094 1.00 10.41 H new ATOM 0 HE2 LYS A 53 15.176 -21.648 -13.102 1.00 30.44 H new ATOM 0 HE3 LYS A 53 14.370 -21.768 -11.550 1.00 30.44 H new ATOM 0 HZ1 LYS A 53 13.948 -19.639 -12.595 1.00 65.11 H new ATOM 0 HZ2 LYS A 53 14.830 -19.416 -11.161 1.00 65.11 H new ATOM 0 HZ3 LYS A 53 15.611 -19.301 -12.664 1.00 65.11 H new ATOM 689 N ASP A 54 18.168 -26.295 -10.806 1.00 12.15 N ATOM 690 CA ASP A 54 17.588 -27.630 -10.888 1.00 71.43 C ATOM 691 C ASP A 54 16.149 -27.630 -10.382 1.00 72.33 C ATOM 692 O ASP A 54 15.650 -28.647 -9.900 1.00 50.24 O ATOM 693 CB ASP A 54 18.425 -28.624 -10.082 1.00 23.13 C ATOM 694 CG ASP A 54 19.886 -28.615 -10.489 1.00 74.41 C ATOM 695 OD1 ASP A 54 20.164 -28.729 -11.701 1.00 44.23 O ATOM 696 OD2 ASP A 54 20.750 -28.494 -9.596 1.00 35.31 O ATOM 0 H ASP A 54 18.537 -26.052 -9.887 1.00 12.15 H new ATOM 0 HA ASP A 54 17.586 -27.934 -11.935 1.00 71.43 H new ATOM 0 HB2 ASP A 54 18.345 -28.386 -9.021 1.00 23.13 H new ATOM 0 HB3 ASP A 54 18.020 -29.627 -10.215 1.00 23.13 H new ATOM 701 N ALA A 55 15.488 -26.483 -10.494 1.00 74.05 N ATOM 702 CA ALA A 55 14.106 -26.351 -10.049 1.00 51.13 C ATOM 703 C ALA A 55 13.174 -26.075 -11.225 1.00 24.32 C ATOM 704 O ALA A 55 13.599 -25.641 -12.296 1.00 12.23 O ATOM 705 CB ALA A 55 13.989 -25.245 -9.011 1.00 25.34 C ATOM 0 H ALA A 55 15.887 -25.632 -10.889 1.00 74.05 H new ATOM 0 HA ALA A 55 13.806 -27.295 -9.594 1.00 51.13 H new ATOM 0 HB1 ALA A 55 12.952 -25.158 -8.688 1.00 25.34 H new ATOM 0 HB2 ALA A 55 14.618 -25.483 -8.153 1.00 25.34 H new ATOM 0 HB3 ALA A 55 14.314 -24.300 -9.448 1.00 25.34 H new ATOM 711 N PRO A 56 11.874 -26.334 -11.023 1.00 53.33 N ATOM 712 CA PRO A 56 10.855 -26.121 -12.056 1.00 2.32 C ATOM 713 C PRO A 56 10.618 -24.641 -12.340 1.00 30.43 C ATOM 714 O PRO A 56 11.064 -23.763 -11.601 1.00 33.44 O ATOM 715 CB PRO A 56 9.600 -26.757 -11.453 1.00 24.40 C ATOM 716 CG PRO A 56 9.816 -26.698 -9.980 1.00 60.31 C ATOM 717 CD PRO A 56 11.297 -26.853 -9.772 1.00 22.12 C ATOM 0 HA PRO A 56 11.149 -26.551 -13.013 1.00 2.32 H new ATOM 0 HB2 PRO A 56 8.702 -26.212 -11.744 1.00 24.40 H new ATOM 0 HB3 PRO A 56 9.474 -27.785 -11.794 1.00 24.40 H new ATOM 0 HG2 PRO A 56 9.461 -25.752 -9.571 1.00 60.31 H new ATOM 0 HG3 PRO A 56 9.266 -27.490 -9.473 1.00 60.31 H new ATOM 0 HD2 PRO A 56 11.642 -26.288 -8.906 1.00 22.12 H new ATOM 0 HD3 PRO A 56 11.572 -27.894 -9.604 1.00 22.12 H new ATOM 725 N PRO A 57 9.899 -24.356 -13.436 1.00 31.15 N ATOM 726 CA PRO A 57 9.585 -22.983 -13.841 1.00 45.23 C ATOM 727 C PRO A 57 8.595 -22.311 -12.897 1.00 34.12 C ATOM 728 O PRO A 57 7.392 -22.566 -12.961 1.00 45.52 O ATOM 729 CB PRO A 57 8.967 -23.156 -15.231 1.00 13.04 C ATOM 730 CG PRO A 57 8.415 -24.540 -15.230 1.00 11.22 C ATOM 731 CD PRO A 57 9.336 -25.352 -14.362 1.00 61.34 C ATOM 0 HA PRO A 57 10.467 -22.343 -13.828 1.00 45.23 H new ATOM 0 HB2 PRO A 57 8.185 -22.418 -15.411 1.00 13.04 H new ATOM 0 HB3 PRO A 57 9.713 -23.028 -16.015 1.00 13.04 H new ATOM 0 HG2 PRO A 57 7.397 -24.554 -14.840 1.00 11.22 H new ATOM 0 HG3 PRO A 57 8.374 -24.945 -16.241 1.00 11.22 H new ATOM 0 HD2 PRO A 57 8.798 -26.137 -13.830 1.00 61.34 H new ATOM 0 HD3 PRO A 57 10.114 -25.840 -14.949 1.00 61.34 H new ATOM 739 N GLU A 58 9.108 -21.452 -12.021 1.00 74.50 N ATOM 740 CA GLU A 58 8.266 -20.745 -11.063 1.00 41.12 C ATOM 741 C GLU A 58 7.867 -19.373 -11.599 1.00 4.31 C ATOM 742 O GLU A 58 6.733 -18.931 -11.421 1.00 15.34 O ATOM 743 CB GLU A 58 8.995 -20.591 -9.727 1.00 12.23 C ATOM 744 CG GLU A 58 8.185 -19.853 -8.674 1.00 4.34 C ATOM 745 CD GLU A 58 8.006 -20.661 -7.403 1.00 44.20 C ATOM 746 OE1 GLU A 58 8.945 -20.686 -6.580 1.00 24.32 O ATOM 747 OE2 GLU A 58 6.929 -21.267 -7.232 1.00 34.41 O ATOM 0 H GLU A 58 10.101 -21.229 -11.955 1.00 74.50 H new ATOM 0 HA GLU A 58 7.361 -21.333 -10.909 1.00 41.12 H new ATOM 0 HB2 GLU A 58 9.254 -21.580 -9.348 1.00 12.23 H new ATOM 0 HB3 GLU A 58 9.931 -20.058 -9.893 1.00 12.23 H new ATOM 0 HG2 GLU A 58 8.679 -18.911 -8.435 1.00 4.34 H new ATOM 0 HG3 GLU A 58 7.206 -19.604 -9.083 1.00 4.34 H new ATOM 754 N SER A 59 8.810 -18.704 -12.255 1.00 52.35 N ATOM 755 CA SER A 59 8.559 -17.380 -12.814 1.00 23.04 C ATOM 756 C SER A 59 8.006 -17.484 -14.232 1.00 25.12 C ATOM 757 O SER A 59 7.964 -18.567 -14.815 1.00 63.33 O ATOM 758 CB SER A 59 9.846 -16.552 -12.815 1.00 71.21 C ATOM 759 OG SER A 59 10.977 -17.367 -13.070 1.00 74.53 O ATOM 0 H SER A 59 9.754 -19.056 -12.412 1.00 52.35 H new ATOM 0 HA SER A 59 7.816 -16.884 -12.189 1.00 23.04 H new ATOM 0 HB2 SER A 59 9.779 -15.771 -13.572 1.00 71.21 H new ATOM 0 HB3 SER A 59 9.962 -16.054 -11.852 1.00 71.21 H new ATOM 0 HG SER A 59 11.786 -16.814 -13.067 1.00 74.53 H new ATOM 765 N ARG A 60 7.584 -16.350 -14.780 1.00 15.31 N ATOM 766 CA ARG A 60 7.032 -16.312 -16.129 1.00 31.21 C ATOM 767 C ARG A 60 7.966 -15.567 -17.078 1.00 22.22 C ATOM 768 O ARG A 60 8.274 -14.393 -16.870 1.00 32.02 O ATOM 769 CB ARG A 60 5.656 -15.644 -16.122 1.00 11.33 C ATOM 770 CG ARG A 60 4.728 -16.172 -15.040 1.00 74.34 C ATOM 771 CD ARG A 60 4.430 -17.651 -15.235 1.00 43.14 C ATOM 772 NE ARG A 60 2.997 -17.929 -15.208 1.00 71.23 N ATOM 773 CZ ARG A 60 2.465 -19.085 -15.591 1.00 4.11 C ATOM 774 NH1 ARG A 60 3.245 -20.065 -16.027 1.00 53.31 N ATOM 775 NH2 ARG A 60 1.151 -19.262 -15.537 1.00 65.30 N ATOM 0 H ARG A 60 7.614 -15.445 -14.311 1.00 15.31 H new ATOM 0 HA ARG A 60 6.928 -17.339 -16.480 1.00 31.21 H new ATOM 0 HB2 ARG A 60 5.784 -14.570 -15.987 1.00 11.33 H new ATOM 0 HB3 ARG A 60 5.186 -15.789 -17.095 1.00 11.33 H new ATOM 0 HG2 ARG A 60 5.183 -16.017 -14.062 1.00 74.34 H new ATOM 0 HG3 ARG A 60 3.796 -15.607 -15.051 1.00 74.34 H new ATOM 0 HD2 ARG A 60 4.846 -17.982 -16.187 1.00 43.14 H new ATOM 0 HD3 ARG A 60 4.926 -18.227 -14.453 1.00 43.14 H new ATOM 0 HE ARG A 60 2.370 -17.196 -14.877 1.00 71.23 H new ATOM 0 HH11 ARG A 60 4.255 -19.932 -16.069 1.00 53.31 H new ATOM 0 HH12 ARG A 60 2.834 -20.951 -16.320 1.00 53.31 H new ATOM 0 HH21 ARG A 60 0.549 -18.510 -15.201 1.00 65.30 H new ATOM 0 HH22 ARG A 60 0.743 -20.150 -15.831 1.00 65.30 H new ATOM 789 N THR A 61 8.416 -16.258 -18.121 1.00 54.01 N ATOM 790 CA THR A 61 9.316 -15.663 -19.101 1.00 32.30 C ATOM 791 C THR A 61 8.662 -15.593 -20.476 1.00 65.24 C ATOM 792 O THR A 61 8.501 -16.610 -21.151 1.00 75.31 O ATOM 793 CB THR A 61 10.631 -16.457 -19.210 1.00 23.31 C ATOM 794 OG1 THR A 61 11.394 -15.990 -20.328 1.00 61.41 O ATOM 795 CG2 THR A 61 10.354 -17.945 -19.364 1.00 61.13 C ATOM 0 H THR A 61 8.172 -17.230 -18.309 1.00 54.01 H new ATOM 0 HA THR A 61 9.538 -14.653 -18.755 1.00 32.30 H new ATOM 0 HB THR A 61 11.200 -16.303 -18.293 1.00 23.31 H new ATOM 0 HG1 THR A 61 12.229 -16.499 -20.389 1.00 61.41 H new ATOM 0 HG21 THR A 61 11.298 -18.485 -19.439 1.00 61.13 H new ATOM 0 HG22 THR A 61 9.799 -18.303 -18.497 1.00 61.13 H new ATOM 0 HG23 THR A 61 9.766 -18.114 -20.266 1.00 61.13 H new ATOM 803 N LYS A 62 8.289 -14.386 -20.888 1.00 31.30 N ATOM 804 CA LYS A 62 7.654 -14.182 -22.185 1.00 25.02 C ATOM 805 C LYS A 62 8.252 -12.973 -22.898 1.00 74.33 C ATOM 806 O LYS A 62 8.826 -12.078 -22.279 1.00 2.13 O ATOM 807 CB LYS A 62 6.146 -13.992 -22.013 1.00 74.32 C ATOM 808 CG LYS A 62 5.774 -13.108 -20.836 1.00 31.05 C ATOM 809 CD LYS A 62 5.388 -13.933 -19.619 1.00 0.40 C ATOM 810 CE LYS A 62 4.026 -14.586 -19.797 1.00 41.25 C ATOM 811 NZ LYS A 62 4.118 -16.072 -19.788 1.00 22.01 N ATOM 0 H LYS A 62 8.416 -13.534 -20.342 1.00 31.30 H new ATOM 0 HA LYS A 62 7.835 -15.068 -22.794 1.00 25.02 H new ATOM 0 HB2 LYS A 62 5.737 -13.559 -22.926 1.00 74.32 H new ATOM 0 HB3 LYS A 62 5.678 -14.968 -21.886 1.00 74.32 H new ATOM 0 HG2 LYS A 62 6.615 -12.461 -20.586 1.00 31.05 H new ATOM 0 HG3 LYS A 62 4.944 -12.459 -21.115 1.00 31.05 H new ATOM 0 HD2 LYS A 62 6.141 -14.702 -19.445 1.00 0.40 H new ATOM 0 HD3 LYS A 62 5.374 -13.295 -18.735 1.00 0.40 H new ATOM 0 HE2 LYS A 62 3.359 -14.259 -18.999 1.00 41.25 H new ATOM 0 HE3 LYS A 62 3.585 -14.255 -20.737 1.00 41.25 H new ATOM 0 HZ1 LYS A 62 3.342 -16.471 -20.354 1.00 22.01 H new ATOM 0 HZ2 LYS A 62 5.029 -16.366 -20.194 1.00 22.01 H new ATOM 0 HZ3 LYS A 62 4.047 -16.418 -18.810 1.00 22.01 H new ATOM 825 N PRO A 63 8.113 -12.944 -24.232 1.00 72.10 N ATOM 826 CA PRO A 63 8.630 -11.849 -25.058 1.00 64.30 C ATOM 827 C PRO A 63 7.857 -10.551 -24.851 1.00 22.40 C ATOM 828 O PRO A 63 8.330 -9.472 -25.207 1.00 64.31 O ATOM 829 CB PRO A 63 8.440 -12.363 -26.487 1.00 42.24 C ATOM 830 CG PRO A 63 7.320 -13.340 -26.393 1.00 15.20 C ATOM 831 CD PRO A 63 7.439 -13.977 -25.036 1.00 63.54 C ATOM 0 HA PRO A 63 9.664 -11.606 -24.812 1.00 64.30 H new ATOM 0 HB2 PRO A 63 8.199 -11.550 -27.171 1.00 42.24 H new ATOM 0 HB3 PRO A 63 9.348 -12.836 -26.861 1.00 42.24 H new ATOM 0 HG2 PRO A 63 6.357 -12.842 -26.507 1.00 15.20 H new ATOM 0 HG3 PRO A 63 7.388 -14.088 -27.183 1.00 15.20 H new ATOM 0 HD2 PRO A 63 6.462 -14.232 -24.625 1.00 63.54 H new ATOM 0 HD3 PRO A 63 8.020 -14.899 -25.074 1.00 63.54 H new ATOM 839 N SER A 64 6.666 -10.664 -24.273 1.00 14.42 N ATOM 840 CA SER A 64 5.825 -9.499 -24.021 1.00 42.34 C ATOM 841 C SER A 64 6.598 -8.426 -23.260 1.00 14.13 C ATOM 842 O SER A 64 7.520 -8.728 -22.503 1.00 21.23 O ATOM 843 CB SER A 64 4.579 -9.903 -23.232 1.00 31.43 C ATOM 844 OG SER A 64 4.357 -11.301 -23.310 1.00 52.25 O ATOM 0 H SER A 64 6.261 -11.550 -23.970 1.00 14.42 H new ATOM 0 HA SER A 64 5.518 -9.088 -24.983 1.00 42.34 H new ATOM 0 HB2 SER A 64 4.693 -9.607 -22.189 1.00 31.43 H new ATOM 0 HB3 SER A 64 3.710 -9.371 -23.621 1.00 31.43 H new ATOM 0 HG SER A 64 3.556 -11.534 -22.796 1.00 52.25 H new ATOM 850 N VAL A 65 6.213 -7.170 -23.466 1.00 64.11 N ATOM 851 CA VAL A 65 6.868 -6.051 -22.799 1.00 71.01 C ATOM 852 C VAL A 65 5.985 -5.476 -21.697 1.00 4.20 C ATOM 853 O VAL A 65 4.758 -5.495 -21.796 1.00 23.43 O ATOM 854 CB VAL A 65 7.220 -4.931 -23.796 1.00 61.34 C ATOM 855 CG1 VAL A 65 8.328 -5.382 -24.736 1.00 5.13 C ATOM 856 CG2 VAL A 65 5.986 -4.508 -24.579 1.00 2.22 C ATOM 0 H VAL A 65 5.451 -6.902 -24.089 1.00 64.11 H new ATOM 0 HA VAL A 65 7.787 -6.438 -22.360 1.00 71.01 H new ATOM 0 HB VAL A 65 7.580 -4.069 -23.235 1.00 61.34 H new ATOM 0 HG11 VAL A 65 8.563 -4.578 -25.433 1.00 5.13 H new ATOM 0 HG12 VAL A 65 9.217 -5.632 -24.157 1.00 5.13 H new ATOM 0 HG13 VAL A 65 7.999 -6.260 -25.292 1.00 5.13 H new ATOM 0 HG21 VAL A 65 6.253 -3.716 -25.279 1.00 2.22 H new ATOM 0 HG22 VAL A 65 5.594 -5.363 -25.131 1.00 2.22 H new ATOM 0 HG23 VAL A 65 5.225 -4.142 -23.889 1.00 2.22 H new ATOM 866 N PHE A 66 6.618 -4.963 -20.647 1.00 22.32 N ATOM 867 CA PHE A 66 5.891 -4.382 -19.525 1.00 34.24 C ATOM 868 C PHE A 66 5.992 -2.860 -19.540 1.00 42.23 C ATOM 869 O PHE A 66 7.086 -2.300 -19.619 1.00 12.03 O ATOM 870 CB PHE A 66 6.432 -4.927 -18.201 1.00 61.13 C ATOM 871 CG PHE A 66 6.602 -6.419 -18.192 1.00 63.43 C ATOM 872 CD1 PHE A 66 7.865 -6.986 -18.262 1.00 75.45 C ATOM 873 CD2 PHE A 66 5.500 -7.255 -18.114 1.00 71.22 C ATOM 874 CE1 PHE A 66 8.025 -8.359 -18.254 1.00 72.30 C ATOM 875 CE2 PHE A 66 5.654 -8.629 -18.105 1.00 10.41 C ATOM 876 CZ PHE A 66 6.918 -9.181 -18.176 1.00 72.32 C ATOM 0 H PHE A 66 7.633 -4.938 -20.550 1.00 22.32 H new ATOM 0 HA PHE A 66 4.842 -4.660 -19.623 1.00 34.24 H new ATOM 0 HB2 PHE A 66 7.393 -4.458 -17.990 1.00 61.13 H new ATOM 0 HB3 PHE A 66 5.755 -4.642 -17.396 1.00 61.13 H new ATOM 0 HD1 PHE A 66 8.734 -6.348 -18.323 1.00 75.45 H new ATOM 0 HD2 PHE A 66 4.509 -6.829 -18.060 1.00 71.22 H new ATOM 0 HE1 PHE A 66 9.014 -8.788 -18.309 1.00 72.30 H new ATOM 0 HE2 PHE A 66 4.787 -9.270 -18.043 1.00 10.41 H new ATOM 0 HZ PHE A 66 7.041 -10.254 -18.171 1.00 72.32 H new ATOM 886 N VAL A 67 4.843 -2.195 -19.466 1.00 23.23 N ATOM 887 CA VAL A 67 4.801 -0.738 -19.471 1.00 5.22 C ATOM 888 C VAL A 67 4.052 -0.205 -18.254 1.00 64.34 C ATOM 889 O VAL A 67 3.033 -0.763 -17.846 1.00 43.43 O ATOM 890 CB VAL A 67 4.131 -0.200 -20.749 1.00 30.01 C ATOM 891 CG1 VAL A 67 4.894 -0.653 -21.984 1.00 25.41 C ATOM 892 CG2 VAL A 67 2.678 -0.647 -20.816 1.00 43.52 C ATOM 0 H VAL A 67 3.929 -2.643 -19.402 1.00 23.23 H new ATOM 0 HA VAL A 67 5.834 -0.392 -19.438 1.00 5.22 H new ATOM 0 HB VAL A 67 4.152 0.889 -20.719 1.00 30.01 H new ATOM 0 HG11 VAL A 67 4.405 -0.263 -22.877 1.00 25.41 H new ATOM 0 HG12 VAL A 67 5.917 -0.279 -21.937 1.00 25.41 H new ATOM 0 HG13 VAL A 67 4.907 -1.742 -22.024 1.00 25.41 H new ATOM 0 HG21 VAL A 67 2.219 -0.258 -21.725 1.00 43.52 H new ATOM 0 HG22 VAL A 67 2.632 -1.736 -20.824 1.00 43.52 H new ATOM 0 HG23 VAL A 67 2.140 -0.267 -19.947 1.00 43.52 H new ATOM 902 N VAL A 68 4.564 0.878 -17.679 1.00 1.03 N ATOM 903 CA VAL A 68 3.943 1.488 -16.509 1.00 72.11 C ATOM 904 C VAL A 68 3.609 2.953 -16.765 1.00 50.25 C ATOM 905 O VAL A 68 4.497 3.769 -17.012 1.00 41.44 O ATOM 906 CB VAL A 68 4.856 1.390 -15.273 1.00 23.41 C ATOM 907 CG1 VAL A 68 4.202 2.054 -14.071 1.00 61.01 C ATOM 908 CG2 VAL A 68 5.191 -0.064 -14.973 1.00 11.35 C ATOM 0 H VAL A 68 5.407 1.351 -18.004 1.00 1.03 H new ATOM 0 HA VAL A 68 3.023 0.937 -16.316 1.00 72.11 H new ATOM 0 HB VAL A 68 5.786 1.917 -15.487 1.00 23.41 H new ATOM 0 HG11 VAL A 68 4.862 1.974 -13.207 1.00 61.01 H new ATOM 0 HG12 VAL A 68 4.018 3.105 -14.292 1.00 61.01 H new ATOM 0 HG13 VAL A 68 3.256 1.559 -13.851 1.00 61.01 H new ATOM 0 HG21 VAL A 68 5.837 -0.115 -14.097 1.00 11.35 H new ATOM 0 HG22 VAL A 68 4.272 -0.617 -14.779 1.00 11.35 H new ATOM 0 HG23 VAL A 68 5.705 -0.503 -15.828 1.00 11.35 H new ATOM 918 N PHE A 69 2.322 3.281 -16.705 1.00 25.43 N ATOM 919 CA PHE A 69 1.870 4.648 -16.931 1.00 2.42 C ATOM 920 C PHE A 69 1.984 5.477 -15.654 1.00 61.15 C ATOM 921 O PHE A 69 1.765 4.973 -14.554 1.00 11.54 O ATOM 922 CB PHE A 69 0.423 4.654 -17.429 1.00 4.05 C ATOM 923 CG PHE A 69 0.215 3.842 -18.675 1.00 30.24 C ATOM 924 CD1 PHE A 69 0.374 4.415 -19.926 1.00 11.11 C ATOM 925 CD2 PHE A 69 -0.141 2.505 -18.595 1.00 25.14 C ATOM 926 CE1 PHE A 69 0.183 3.670 -21.075 1.00 2.43 C ATOM 927 CE2 PHE A 69 -0.332 1.755 -19.740 1.00 11.22 C ATOM 928 CZ PHE A 69 -0.171 2.339 -20.981 1.00 72.12 C ATOM 0 H PHE A 69 1.574 2.618 -16.502 1.00 25.43 H new ATOM 0 HA PHE A 69 2.510 5.095 -17.692 1.00 2.42 H new ATOM 0 HB2 PHE A 69 -0.225 4.269 -16.642 1.00 4.05 H new ATOM 0 HB3 PHE A 69 0.117 5.683 -17.620 1.00 4.05 H new ATOM 0 HD1 PHE A 69 0.650 5.456 -20.005 1.00 11.11 H new ATOM 0 HD2 PHE A 69 -0.271 2.044 -17.627 1.00 25.14 H new ATOM 0 HE1 PHE A 69 0.311 4.129 -22.044 1.00 2.43 H new ATOM 0 HE2 PHE A 69 -0.607 0.713 -19.664 1.00 11.22 H new ATOM 0 HZ PHE A 69 -0.322 1.755 -21.877 1.00 72.12 H new ATOM 938 N ASN A 70 2.329 6.751 -15.812 1.00 23.32 N ATOM 939 CA ASN A 70 2.474 7.650 -14.673 1.00 32.35 C ATOM 940 C ASN A 70 1.137 8.292 -14.313 1.00 62.51 C ATOM 941 O ASN A 70 0.787 8.405 -13.138 1.00 44.13 O ATOM 942 CB ASN A 70 3.507 8.735 -14.981 1.00 0.22 C ATOM 943 CG ASN A 70 3.455 9.882 -13.989 1.00 74.44 C ATOM 944 OD1 ASN A 70 3.579 9.679 -12.782 1.00 34.54 O ATOM 945 ND2 ASN A 70 3.270 11.095 -14.497 1.00 73.32 N ATOM 0 H ASN A 70 2.513 7.184 -16.717 1.00 23.32 H new ATOM 0 HA ASN A 70 2.817 7.064 -13.820 1.00 32.35 H new ATOM 0 HB2 ASN A 70 4.505 8.296 -14.972 1.00 0.22 H new ATOM 0 HB3 ASN A 70 3.337 9.120 -15.986 1.00 0.22 H new ATOM 0 HD21 ASN A 70 3.226 11.905 -13.879 1.00 73.32 H new ATOM 0 HD22 ASN A 70 3.172 11.216 -15.505 1.00 73.32 H new ATOM 952 N SER A 71 0.394 8.709 -15.333 1.00 41.10 N ATOM 953 CA SER A 71 -0.903 9.342 -15.125 1.00 42.40 C ATOM 954 C SER A 71 -1.976 8.299 -14.828 1.00 45.01 C ATOM 955 O SER A 71 -2.103 7.303 -15.541 1.00 2.34 O ATOM 956 CB SER A 71 -1.298 10.160 -16.356 1.00 42.50 C ATOM 957 OG SER A 71 -0.547 11.360 -16.434 1.00 32.13 O ATOM 0 H SER A 71 0.668 8.620 -16.312 1.00 41.10 H new ATOM 0 HA SER A 71 -0.821 10.008 -14.266 1.00 42.40 H new ATOM 0 HB2 SER A 71 -1.137 9.568 -17.257 1.00 42.50 H new ATOM 0 HB3 SER A 71 -2.362 10.395 -16.314 1.00 42.50 H new ATOM 0 HG SER A 71 -0.817 11.864 -17.230 1.00 32.13 H new ATOM 963 N SER A 72 -2.745 8.535 -13.770 1.00 51.24 N ATOM 964 CA SER A 72 -3.805 7.615 -13.375 1.00 60.24 C ATOM 965 C SER A 72 -4.860 7.499 -14.471 1.00 15.40 C ATOM 966 O SER A 72 -5.231 6.398 -14.876 1.00 50.33 O ATOM 967 CB SER A 72 -4.456 8.082 -12.072 1.00 25.01 C ATOM 968 OG SER A 72 -5.187 9.280 -12.268 1.00 22.14 O ATOM 0 H SER A 72 -2.654 9.356 -13.171 1.00 51.24 H new ATOM 0 HA SER A 72 -3.360 6.633 -13.218 1.00 60.24 H new ATOM 0 HB2 SER A 72 -5.120 7.305 -11.695 1.00 25.01 H new ATOM 0 HB3 SER A 72 -3.688 8.240 -11.315 1.00 25.01 H new ATOM 0 HG SER A 72 -5.595 9.557 -11.421 1.00 22.14 H new ATOM 974 N GLU A 73 -5.340 8.645 -14.945 1.00 41.12 N ATOM 975 CA GLU A 73 -6.353 8.673 -15.993 1.00 75.21 C ATOM 976 C GLU A 73 -5.871 7.930 -17.236 1.00 54.20 C ATOM 977 O GLU A 73 -6.525 7.001 -17.708 1.00 71.22 O ATOM 978 CB GLU A 73 -6.707 10.117 -16.354 1.00 1.23 C ATOM 979 CG GLU A 73 -8.183 10.328 -16.647 1.00 62.30 C ATOM 980 CD GLU A 73 -8.507 11.765 -17.005 1.00 72.02 C ATOM 981 OE1 GLU A 73 -7.577 12.504 -17.390 1.00 1.44 O ATOM 982 OE2 GLU A 73 -9.690 12.150 -16.901 1.00 53.41 O ATOM 0 H GLU A 73 -5.044 9.565 -14.620 1.00 41.12 H new ATOM 0 HA GLU A 73 -7.244 8.172 -15.614 1.00 75.21 H new ATOM 0 HB2 GLU A 73 -6.411 10.770 -15.533 1.00 1.23 H new ATOM 0 HB3 GLU A 73 -6.126 10.417 -17.226 1.00 1.23 H new ATOM 0 HG2 GLU A 73 -8.483 9.677 -17.468 1.00 62.30 H new ATOM 0 HG3 GLU A 73 -8.768 10.034 -15.776 1.00 62.30 H new ATOM 989 N GLU A 74 -4.724 8.348 -17.760 1.00 45.42 N ATOM 990 CA GLU A 74 -4.155 7.724 -18.949 1.00 22.12 C ATOM 991 C GLU A 74 -3.871 6.245 -18.703 1.00 74.35 C ATOM 992 O GLU A 74 -3.960 5.425 -19.617 1.00 35.00 O ATOM 993 CB GLU A 74 -2.867 8.440 -19.361 1.00 61.44 C ATOM 994 CG GLU A 74 -2.849 8.869 -20.819 1.00 30.51 C ATOM 995 CD GLU A 74 -3.579 10.177 -21.051 1.00 14.00 C ATOM 996 OE1 GLU A 74 -3.721 10.956 -20.085 1.00 44.22 O ATOM 997 OE2 GLU A 74 -4.010 10.422 -22.197 1.00 63.23 O ATOM 0 H GLU A 74 -4.170 9.116 -17.380 1.00 45.42 H new ATOM 0 HA GLU A 74 -4.883 7.808 -19.756 1.00 22.12 H new ATOM 0 HB2 GLU A 74 -2.732 9.319 -18.731 1.00 61.44 H new ATOM 0 HB3 GLU A 74 -2.019 7.781 -19.174 1.00 61.44 H new ATOM 0 HG2 GLU A 74 -1.816 8.970 -21.151 1.00 30.51 H new ATOM 0 HG3 GLU A 74 -3.305 8.089 -21.429 1.00 30.51 H new ATOM 1004 N ALA A 75 -3.529 5.912 -17.463 1.00 71.42 N ATOM 1005 CA ALA A 75 -3.234 4.532 -17.097 1.00 0.14 C ATOM 1006 C ALA A 75 -4.461 3.643 -17.271 1.00 44.14 C ATOM 1007 O ALA A 75 -4.385 2.581 -17.887 1.00 60.34 O ATOM 1008 CB ALA A 75 -2.730 4.463 -15.663 1.00 10.44 C ATOM 0 H ALA A 75 -3.449 6.579 -16.695 1.00 71.42 H new ATOM 0 HA ALA A 75 -2.454 4.164 -17.764 1.00 0.14 H new ATOM 0 HB1 ALA A 75 -2.514 3.427 -15.403 1.00 10.44 H new ATOM 0 HB2 ALA A 75 -1.822 5.058 -15.567 1.00 10.44 H new ATOM 0 HB3 ALA A 75 -3.493 4.854 -14.990 1.00 10.44 H new ATOM 1014 N GLU A 76 -5.589 4.085 -16.725 1.00 1.13 N ATOM 1015 CA GLU A 76 -6.831 3.327 -16.820 1.00 10.22 C ATOM 1016 C GLU A 76 -7.324 3.270 -18.263 1.00 32.12 C ATOM 1017 O GLU A 76 -7.778 2.228 -18.734 1.00 33.43 O ATOM 1018 CB GLU A 76 -7.905 3.952 -15.927 1.00 31.44 C ATOM 1019 CG GLU A 76 -7.541 3.959 -14.451 1.00 71.14 C ATOM 1020 CD GLU A 76 -7.199 2.577 -13.928 1.00 45.52 C ATOM 1021 OE1 GLU A 76 -7.698 1.586 -14.501 1.00 1.31 O ATOM 1022 OE2 GLU A 76 -6.432 2.487 -12.947 1.00 11.44 O ATOM 0 H GLU A 76 -5.669 4.963 -16.213 1.00 1.13 H new ATOM 0 HA GLU A 76 -6.633 2.310 -16.481 1.00 10.22 H new ATOM 0 HB2 GLU A 76 -8.086 4.976 -16.253 1.00 31.44 H new ATOM 0 HB3 GLU A 76 -8.839 3.406 -16.060 1.00 31.44 H new ATOM 0 HG2 GLU A 76 -6.692 4.624 -14.293 1.00 71.14 H new ATOM 0 HG3 GLU A 76 -8.374 4.365 -13.877 1.00 71.14 H new ATOM 1029 N ALA A 77 -7.232 4.398 -18.959 1.00 3.43 N ATOM 1030 CA ALA A 77 -7.667 4.477 -20.348 1.00 3.13 C ATOM 1031 C ALA A 77 -6.943 3.447 -21.209 1.00 14.14 C ATOM 1032 O ALA A 77 -7.571 2.701 -21.961 1.00 1.31 O ATOM 1033 CB ALA A 77 -7.438 5.879 -20.894 1.00 23.42 C ATOM 0 H ALA A 77 -6.860 5.270 -18.584 1.00 3.43 H new ATOM 0 HA ALA A 77 -8.734 4.256 -20.382 1.00 3.13 H new ATOM 0 HB1 ALA A 77 -7.767 5.923 -21.932 1.00 23.42 H new ATOM 0 HB2 ALA A 77 -8.006 6.597 -20.302 1.00 23.42 H new ATOM 0 HB3 ALA A 77 -6.377 6.122 -20.839 1.00 23.42 H new ATOM 1039 N PHE A 78 -5.620 3.412 -21.094 1.00 61.50 N ATOM 1040 CA PHE A 78 -4.811 2.474 -21.864 1.00 22.44 C ATOM 1041 C PHE A 78 -5.076 1.037 -21.422 1.00 50.25 C ATOM 1042 O PHE A 78 -5.135 0.125 -22.247 1.00 3.32 O ATOM 1043 CB PHE A 78 -3.324 2.801 -21.706 1.00 55.15 C ATOM 1044 CG PHE A 78 -2.762 3.596 -22.850 1.00 65.52 C ATOM 1045 CD1 PHE A 78 -1.835 3.032 -23.713 1.00 34.01 C ATOM 1046 CD2 PHE A 78 -3.158 4.906 -23.062 1.00 51.11 C ATOM 1047 CE1 PHE A 78 -1.316 3.760 -24.767 1.00 4.14 C ATOM 1048 CE2 PHE A 78 -2.642 5.639 -24.114 1.00 72.12 C ATOM 1049 CZ PHE A 78 -1.719 5.066 -24.967 1.00 21.32 C ATOM 0 H PHE A 78 -5.085 4.022 -20.476 1.00 61.50 H new ATOM 0 HA PHE A 78 -5.088 2.570 -22.914 1.00 22.44 H new ATOM 0 HB2 PHE A 78 -3.179 3.358 -20.780 1.00 55.15 H new ATOM 0 HB3 PHE A 78 -2.764 1.871 -21.610 1.00 55.15 H new ATOM 0 HD1 PHE A 78 -1.515 2.012 -23.560 1.00 34.01 H new ATOM 0 HD2 PHE A 78 -3.878 5.360 -22.398 1.00 51.11 H new ATOM 0 HE1 PHE A 78 -0.596 3.308 -25.433 1.00 4.14 H new ATOM 0 HE2 PHE A 78 -2.960 6.659 -24.269 1.00 72.12 H new ATOM 0 HZ PHE A 78 -1.313 5.638 -25.788 1.00 21.32 H new ATOM 1059 N GLN A 79 -5.235 0.845 -20.117 1.00 3.21 N ATOM 1060 CA GLN A 79 -5.492 -0.480 -19.566 1.00 12.01 C ATOM 1061 C GLN A 79 -6.736 -1.099 -20.195 1.00 50.12 C ATOM 1062 O GLN A 79 -6.736 -2.270 -20.575 1.00 23.00 O ATOM 1063 CB GLN A 79 -5.660 -0.400 -18.048 1.00 32.34 C ATOM 1064 CG GLN A 79 -4.573 -1.131 -17.276 1.00 72.21 C ATOM 1065 CD GLN A 79 -4.349 -0.552 -15.893 1.00 42.33 C ATOM 1066 OE1 GLN A 79 -5.100 -0.834 -14.960 1.00 34.23 O ATOM 1067 NE2 GLN A 79 -3.310 0.264 -15.754 1.00 54.14 N ATOM 0 H GLN A 79 -5.190 1.590 -19.422 1.00 3.21 H new ATOM 0 HA GLN A 79 -4.636 -1.114 -19.797 1.00 12.01 H new ATOM 0 HB2 GLN A 79 -5.667 0.647 -17.746 1.00 32.34 H new ATOM 0 HB3 GLN A 79 -6.630 -0.816 -17.776 1.00 32.34 H new ATOM 0 HG2 GLN A 79 -4.842 -2.183 -17.186 1.00 72.21 H new ATOM 0 HG3 GLN A 79 -3.641 -1.087 -17.839 1.00 72.21 H new ATOM 0 HE21 GLN A 79 -2.713 0.471 -16.555 1.00 54.14 H new ATOM 0 HE22 GLN A 79 -3.109 0.684 -14.846 1.00 54.14 H new ATOM 1076 N LYS A 80 -7.796 -0.305 -20.302 1.00 71.05 N ATOM 1077 CA LYS A 80 -9.047 -0.773 -20.886 1.00 73.44 C ATOM 1078 C LYS A 80 -8.834 -1.251 -22.319 1.00 62.22 C ATOM 1079 O LYS A 80 -8.943 -2.442 -22.609 1.00 75.10 O ATOM 1080 CB LYS A 80 -10.095 0.342 -20.860 1.00 72.32 C ATOM 1081 CG LYS A 80 -11.506 -0.143 -21.145 1.00 12.10 C ATOM 1082 CD LYS A 80 -12.533 0.948 -20.890 1.00 4.21 C ATOM 1083 CE LYS A 80 -12.645 1.896 -22.074 1.00 62.24 C ATOM 1084 NZ LYS A 80 -13.269 3.192 -21.691 1.00 35.15 N ATOM 0 H LYS A 80 -7.813 0.666 -19.992 1.00 71.05 H new ATOM 0 HA LYS A 80 -9.404 -1.613 -20.291 1.00 73.44 H new ATOM 0 HB2 LYS A 80 -10.076 0.824 -19.883 1.00 72.32 H new ATOM 0 HB3 LYS A 80 -9.825 1.100 -21.595 1.00 72.32 H new ATOM 0 HG2 LYS A 80 -11.575 -0.474 -22.181 1.00 12.10 H new ATOM 0 HG3 LYS A 80 -11.728 -1.007 -20.519 1.00 12.10 H new ATOM 0 HD2 LYS A 80 -13.505 0.495 -20.692 1.00 4.21 H new ATOM 0 HD3 LYS A 80 -12.255 1.509 -19.998 1.00 4.21 H new ATOM 0 HE2 LYS A 80 -11.653 2.079 -22.488 1.00 62.24 H new ATOM 0 HE3 LYS A 80 -13.237 1.427 -22.860 1.00 62.24 H new ATOM 0 HZ1 LYS A 80 -13.327 3.810 -22.526 1.00 35.15 H new ATOM 0 HZ2 LYS A 80 -14.225 3.021 -21.320 1.00 35.15 H new ATOM 0 HZ3 LYS A 80 -12.691 3.653 -20.959 1.00 35.15 H new ATOM 1098 N ALA A 81 -8.527 -0.315 -23.211 1.00 12.31 N ATOM 1099 CA ALA A 81 -8.295 -0.641 -24.612 1.00 62.24 C ATOM 1100 C ALA A 81 -6.935 -0.130 -25.077 1.00 54.31 C ATOM 1101 O ALA A 81 -6.337 0.756 -24.466 1.00 65.24 O ATOM 1102 CB ALA A 81 -9.403 -0.063 -25.480 1.00 31.02 C ATOM 0 H ALA A 81 -8.433 0.676 -22.988 1.00 12.31 H new ATOM 0 HA ALA A 81 -8.300 -1.726 -24.712 1.00 62.24 H new ATOM 0 HB1 ALA A 81 -9.216 -0.315 -26.524 1.00 31.02 H new ATOM 0 HB2 ALA A 81 -10.362 -0.481 -25.172 1.00 31.02 H new ATOM 0 HB3 ALA A 81 -9.426 1.021 -25.367 1.00 31.02 H new ATOM 1108 N PRO A 82 -6.435 -0.699 -26.183 1.00 64.43 N ATOM 1109 CA PRO A 82 -5.140 -0.316 -26.754 1.00 62.51 C ATOM 1110 C PRO A 82 -5.167 1.080 -27.367 1.00 25.42 C ATOM 1111 O PRO A 82 -6.225 1.679 -27.560 1.00 24.21 O ATOM 1112 CB PRO A 82 -4.904 -1.372 -27.838 1.00 2.43 C ATOM 1113 CG PRO A 82 -6.267 -1.837 -28.216 1.00 73.41 C ATOM 1114 CD PRO A 82 -7.094 -1.761 -26.962 1.00 41.13 C ATOM 0 HA PRO A 82 -4.356 -0.279 -25.998 1.00 62.51 H new ATOM 0 HB2 PRO A 82 -4.378 -0.950 -28.694 1.00 2.43 H new ATOM 0 HB3 PRO A 82 -4.295 -2.195 -27.464 1.00 2.43 H new ATOM 0 HG2 PRO A 82 -6.690 -1.209 -29.001 1.00 73.41 H new ATOM 0 HG3 PRO A 82 -6.238 -2.855 -28.603 1.00 73.41 H new ATOM 0 HD2 PRO A 82 -8.133 -1.514 -27.180 1.00 41.13 H new ATOM 0 HD3 PRO A 82 -7.098 -2.710 -26.425 1.00 41.13 H new ATOM 1122 N PRO A 83 -3.976 1.612 -27.681 1.00 71.31 N ATOM 1123 CA PRO A 83 -3.837 2.943 -28.278 1.00 1.42 C ATOM 1124 C PRO A 83 -4.347 2.991 -29.714 1.00 14.41 C ATOM 1125 O PRO A 83 -4.886 4.005 -30.157 1.00 51.13 O ATOM 1126 CB PRO A 83 -2.327 3.194 -28.238 1.00 73.23 C ATOM 1127 CG PRO A 83 -1.718 1.834 -28.234 1.00 42.54 C ATOM 1128 CD PRO A 83 -2.674 0.954 -27.479 1.00 32.04 C ATOM 0 HA PRO A 83 -4.422 3.692 -27.744 1.00 1.42 H new ATOM 0 HB2 PRO A 83 -1.999 3.772 -29.102 1.00 73.23 H new ATOM 0 HB3 PRO A 83 -2.043 3.758 -27.350 1.00 73.23 H new ATOM 0 HG2 PRO A 83 -1.572 1.469 -29.251 1.00 42.54 H new ATOM 0 HG3 PRO A 83 -0.739 1.847 -27.756 1.00 42.54 H new ATOM 0 HD2 PRO A 83 -2.674 -0.065 -27.867 1.00 32.04 H new ATOM 0 HD3 PRO A 83 -2.414 0.893 -26.422 1.00 32.04 H new ATOM 1136 N MET A 84 -4.175 1.889 -30.436 1.00 23.25 N ATOM 1137 CA MET A 84 -4.620 1.806 -31.822 1.00 31.33 C ATOM 1138 C MET A 84 -3.876 2.813 -32.693 1.00 73.20 C ATOM 1139 O MET A 84 -4.273 3.974 -32.793 1.00 53.01 O ATOM 1140 CB MET A 84 -6.127 2.052 -31.911 1.00 75.50 C ATOM 1141 CG MET A 84 -6.919 0.825 -32.335 1.00 12.03 C ATOM 1142 SD MET A 84 -7.887 1.105 -33.830 1.00 41.41 S ATOM 1143 CE MET A 84 -9.465 0.410 -33.347 1.00 53.12 C ATOM 0 H MET A 84 -3.731 1.041 -30.084 1.00 23.25 H new ATOM 0 HA MET A 84 -4.400 0.803 -32.189 1.00 31.33 H new ATOM 0 HB2 MET A 84 -6.490 2.391 -30.941 1.00 75.50 H new ATOM 0 HB3 MET A 84 -6.314 2.858 -32.620 1.00 75.50 H new ATOM 0 HG2 MET A 84 -6.233 -0.006 -32.501 1.00 12.03 H new ATOM 0 HG3 MET A 84 -7.586 0.530 -31.525 1.00 12.03 H new ATOM 0 HE1 MET A 84 -10.173 0.508 -34.170 1.00 53.12 H new ATOM 0 HE2 MET A 84 -9.338 -0.644 -33.101 1.00 53.12 H new ATOM 0 HE3 MET A 84 -9.846 0.943 -32.475 1.00 53.12 H new ATOM 1153 N TYR A 85 -2.796 2.361 -33.321 1.00 15.10 N ATOM 1154 CA TYR A 85 -1.996 3.224 -34.182 1.00 21.14 C ATOM 1155 C TYR A 85 -1.969 2.693 -35.612 1.00 12.23 C ATOM 1156 O TYR A 85 -1.623 1.536 -35.850 1.00 72.01 O ATOM 1157 CB TYR A 85 -0.570 3.337 -33.641 1.00 25.20 C ATOM 1158 CG TYR A 85 -0.188 4.740 -33.227 1.00 51.22 C ATOM 1159 CD1 TYR A 85 0.335 4.995 -31.965 1.00 54.42 C ATOM 1160 CD2 TYR A 85 -0.351 5.811 -34.097 1.00 73.03 C ATOM 1161 CE1 TYR A 85 0.684 6.276 -31.582 1.00 52.03 C ATOM 1162 CE2 TYR A 85 -0.003 7.095 -33.723 1.00 74.55 C ATOM 1163 CZ TYR A 85 0.513 7.322 -32.465 1.00 45.01 C ATOM 1164 OH TYR A 85 0.860 8.599 -32.088 1.00 51.45 O ATOM 0 H TYR A 85 -2.455 1.402 -33.250 1.00 15.10 H new ATOM 0 HA TYR A 85 -2.454 4.213 -34.190 1.00 21.14 H new ATOM 0 HB2 TYR A 85 -0.462 2.672 -32.784 1.00 25.20 H new ATOM 0 HB3 TYR A 85 0.127 2.990 -34.403 1.00 25.20 H new ATOM 0 HD1 TYR A 85 0.471 4.178 -31.272 1.00 54.42 H new ATOM 0 HD2 TYR A 85 -0.757 5.637 -35.083 1.00 73.03 H new ATOM 0 HE1 TYR A 85 1.088 6.457 -30.597 1.00 52.03 H new ATOM 0 HE2 TYR A 85 -0.135 7.916 -34.412 1.00 74.55 H new ATOM 0 HH TYR A 85 0.678 9.219 -32.825 1.00 51.45 H new ATOM 1174 N ASP A 86 -2.336 3.548 -36.560 1.00 15.22 N ATOM 1175 CA ASP A 86 -2.354 3.168 -37.968 1.00 24.15 C ATOM 1176 C ASP A 86 -1.008 2.586 -38.390 1.00 1.53 C ATOM 1177 O ASP A 86 -0.949 1.565 -39.074 1.00 31.42 O ATOM 1178 CB ASP A 86 -2.698 4.376 -38.840 1.00 44.01 C ATOM 1179 CG ASP A 86 -4.192 4.602 -38.953 1.00 14.03 C ATOM 1180 OD1 ASP A 86 -4.961 3.748 -38.462 1.00 64.01 O ATOM 1181 OD2 ASP A 86 -4.594 5.633 -39.531 1.00 12.33 O ATOM 0 H ASP A 86 -2.625 4.509 -36.379 1.00 15.22 H new ATOM 0 HA ASP A 86 -3.119 2.403 -38.103 1.00 24.15 H new ATOM 0 HB2 ASP A 86 -2.229 5.267 -38.422 1.00 44.01 H new ATOM 0 HB3 ASP A 86 -2.279 4.233 -39.836 1.00 44.01 H new ATOM 1186 N ASP A 87 0.070 3.245 -37.979 1.00 22.35 N ATOM 1187 CA ASP A 87 1.416 2.793 -38.314 1.00 52.40 C ATOM 1188 C ASP A 87 1.604 1.325 -37.945 1.00 42.23 C ATOM 1189 O ASP A 87 1.826 0.480 -38.813 1.00 34.15 O ATOM 1190 CB ASP A 87 2.458 3.651 -37.595 1.00 24.43 C ATOM 1191 CG ASP A 87 2.476 5.082 -38.094 1.00 72.24 C ATOM 1192 OD1 ASP A 87 1.851 5.946 -37.444 1.00 35.51 O ATOM 1193 OD2 ASP A 87 3.115 5.338 -39.136 1.00 3.54 O ATOM 0 H ASP A 87 0.038 4.093 -37.414 1.00 22.35 H new ATOM 0 HA ASP A 87 1.551 2.898 -39.391 1.00 52.40 H new ATOM 0 HB2 ASP A 87 2.252 3.645 -36.525 1.00 24.43 H new ATOM 0 HB3 ASP A 87 3.445 3.209 -37.732 1.00 24.43 H new ATOM 1198 N VAL A 88 1.516 1.029 -36.652 1.00 70.25 N ATOM 1199 CA VAL A 88 1.677 -0.337 -36.169 1.00 33.15 C ATOM 1200 C VAL A 88 0.549 -0.719 -35.216 1.00 2.10 C ATOM 1201 O VAL A 88 0.243 0.015 -34.277 1.00 35.11 O ATOM 1202 CB VAL A 88 3.026 -0.523 -35.450 1.00 2.33 C ATOM 1203 CG1 VAL A 88 3.170 -1.950 -34.943 1.00 14.31 C ATOM 1204 CG2 VAL A 88 4.177 -0.159 -36.376 1.00 0.13 C ATOM 0 H VAL A 88 1.334 1.717 -35.921 1.00 70.25 H new ATOM 0 HA VAL A 88 1.647 -0.987 -37.043 1.00 33.15 H new ATOM 0 HB VAL A 88 3.055 0.146 -34.590 1.00 2.33 H new ATOM 0 HG11 VAL A 88 4.129 -2.062 -34.438 1.00 14.31 H new ATOM 0 HG12 VAL A 88 2.364 -2.171 -34.243 1.00 14.31 H new ATOM 0 HG13 VAL A 88 3.120 -2.642 -35.784 1.00 14.31 H new ATOM 0 HG21 VAL A 88 5.123 -0.296 -35.852 1.00 0.13 H new ATOM 0 HG22 VAL A 88 4.153 -0.802 -37.256 1.00 0.13 H new ATOM 0 HG23 VAL A 88 4.081 0.882 -36.684 1.00 0.13 H new ATOM 1214 N GLN A 89 -0.064 -1.872 -35.465 1.00 5.30 N ATOM 1215 CA GLN A 89 -1.158 -2.351 -34.629 1.00 2.21 C ATOM 1216 C GLN A 89 -0.669 -2.662 -33.218 1.00 61.22 C ATOM 1217 O GLN A 89 0.218 -3.495 -33.027 1.00 5.21 O ATOM 1218 CB GLN A 89 -1.793 -3.597 -35.248 1.00 61.10 C ATOM 1219 CG GLN A 89 -3.272 -3.436 -35.559 1.00 51.50 C ATOM 1220 CD GLN A 89 -4.149 -3.623 -34.337 1.00 32.01 C ATOM 1221 OE1 GLN A 89 -3.908 -3.026 -33.287 1.00 44.25 O ATOM 1222 NE2 GLN A 89 -5.175 -4.456 -34.466 1.00 53.14 N ATOM 0 H GLN A 89 0.178 -2.491 -36.238 1.00 5.30 H new ATOM 0 HA GLN A 89 -1.908 -1.562 -34.568 1.00 2.21 H new ATOM 0 HB2 GLN A 89 -1.262 -3.847 -36.167 1.00 61.10 H new ATOM 0 HB3 GLN A 89 -1.663 -4.438 -34.566 1.00 61.10 H new ATOM 0 HG2 GLN A 89 -3.445 -2.445 -35.978 1.00 51.50 H new ATOM 0 HG3 GLN A 89 -3.560 -4.159 -36.322 1.00 51.50 H new ATOM 0 HE21 GLN A 89 -5.338 -4.930 -35.354 1.00 53.14 H new ATOM 0 HE22 GLN A 89 -5.800 -4.622 -33.677 1.00 53.14 H new ATOM 1231 N LEU A 90 -1.253 -1.989 -32.233 1.00 44.31 N ATOM 1232 CA LEU A 90 -0.876 -2.193 -30.839 1.00 32.14 C ATOM 1233 C LEU A 90 -1.876 -3.103 -30.133 1.00 20.54 C ATOM 1234 O LEU A 90 -3.088 -2.960 -30.298 1.00 1.35 O ATOM 1235 CB LEU A 90 -0.790 -0.850 -30.111 1.00 63.30 C ATOM 1236 CG LEU A 90 0.608 -0.413 -29.672 1.00 65.54 C ATOM 1237 CD1 LEU A 90 1.220 -1.444 -28.736 1.00 3.31 C ATOM 1238 CD2 LEU A 90 1.503 -0.193 -30.884 1.00 30.34 C ATOM 0 H LEU A 90 -1.989 -1.297 -32.374 1.00 44.31 H new ATOM 0 HA LEU A 90 0.102 -2.673 -30.819 1.00 32.14 H new ATOM 0 HB2 LEU A 90 -1.202 -0.079 -30.762 1.00 63.30 H new ATOM 0 HB3 LEU A 90 -1.428 -0.896 -29.229 1.00 63.30 H new ATOM 0 HG LEU A 90 0.521 0.531 -29.133 1.00 65.54 H new ATOM 0 HD11 LEU A 90 2.215 -1.116 -28.434 1.00 3.31 H new ATOM 0 HD12 LEU A 90 0.590 -1.553 -27.853 1.00 3.31 H new ATOM 0 HD13 LEU A 90 1.294 -2.403 -29.249 1.00 3.31 H new ATOM 0 HD21 LEU A 90 2.494 0.118 -30.553 1.00 30.34 H new ATOM 0 HD22 LEU A 90 1.584 -1.121 -31.450 1.00 30.34 H new ATOM 0 HD23 LEU A 90 1.073 0.582 -31.518 1.00 30.34 H new ATOM 1250 N THR A 91 -1.360 -4.041 -29.343 1.00 13.51 N ATOM 1251 CA THR A 91 -2.207 -4.974 -28.611 1.00 11.44 C ATOM 1252 C THR A 91 -1.851 -4.993 -27.129 1.00 2.45 C ATOM 1253 O THR A 91 -0.859 -5.600 -26.727 1.00 3.33 O ATOM 1254 CB THR A 91 -2.087 -6.402 -29.174 1.00 70.20 C ATOM 1255 OG1 THR A 91 -1.635 -6.357 -30.532 1.00 52.21 O ATOM 1256 CG2 THR A 91 -3.423 -7.126 -29.103 1.00 31.13 C ATOM 0 H THR A 91 -0.360 -4.174 -29.194 1.00 13.51 H new ATOM 0 HA THR A 91 -3.234 -4.629 -28.731 1.00 11.44 H new ATOM 0 HB THR A 91 -1.363 -6.948 -28.568 1.00 70.20 H new ATOM 0 HG1 THR A 91 -1.560 -7.269 -30.882 1.00 52.21 H new ATOM 0 HG21 THR A 91 -3.313 -8.133 -29.506 1.00 31.13 H new ATOM 0 HG22 THR A 91 -3.750 -7.185 -28.065 1.00 31.13 H new ATOM 0 HG23 THR A 91 -4.164 -6.580 -29.687 1.00 31.13 H new ATOM 1264 N ALA A 92 -2.667 -4.324 -26.320 1.00 22.31 N ATOM 1265 CA ALA A 92 -2.439 -4.267 -24.881 1.00 63.14 C ATOM 1266 C ALA A 92 -3.468 -5.104 -24.129 1.00 3.43 C ATOM 1267 O ALA A 92 -4.650 -5.103 -24.470 1.00 21.41 O ATOM 1268 CB ALA A 92 -2.473 -2.825 -24.399 1.00 11.44 C ATOM 0 H ALA A 92 -3.492 -3.814 -26.637 1.00 22.31 H new ATOM 0 HA ALA A 92 -1.453 -4.683 -24.677 1.00 63.14 H new ATOM 0 HB1 ALA A 92 -2.301 -2.797 -23.323 1.00 11.44 H new ATOM 0 HB2 ALA A 92 -1.695 -2.254 -24.906 1.00 11.44 H new ATOM 0 HB3 ALA A 92 -3.447 -2.390 -24.623 1.00 11.44 H new ATOM 1274 N GLU A 93 -3.009 -5.816 -23.104 1.00 54.10 N ATOM 1275 CA GLU A 93 -3.892 -6.658 -22.305 1.00 24.03 C ATOM 1276 C GLU A 93 -4.056 -6.092 -20.897 1.00 50.22 C ATOM 1277 O GLU A 93 -3.309 -5.206 -20.482 1.00 73.11 O ATOM 1278 CB GLU A 93 -3.343 -8.085 -22.232 1.00 11.45 C ATOM 1279 CG GLU A 93 -3.889 -9.003 -23.312 1.00 12.21 C ATOM 1280 CD GLU A 93 -5.394 -9.170 -23.230 1.00 11.22 C ATOM 1281 OE1 GLU A 93 -6.057 -9.099 -24.286 1.00 43.11 O ATOM 1282 OE2 GLU A 93 -5.909 -9.371 -22.110 1.00 71.12 O ATOM 0 H GLU A 93 -2.033 -5.827 -22.808 1.00 54.10 H new ATOM 0 HA GLU A 93 -4.870 -6.676 -22.787 1.00 24.03 H new ATOM 0 HB2 GLU A 93 -2.256 -8.052 -22.311 1.00 11.45 H new ATOM 0 HB3 GLU A 93 -3.579 -8.507 -21.255 1.00 11.45 H new ATOM 0 HG2 GLU A 93 -3.624 -8.604 -24.291 1.00 12.21 H new ATOM 0 HG3 GLU A 93 -3.414 -9.980 -23.227 1.00 12.21 H new ATOM 1289 N MET A 94 -5.040 -6.610 -20.169 1.00 5.24 N ATOM 1290 CA MET A 94 -5.302 -6.157 -18.808 1.00 11.44 C ATOM 1291 C MET A 94 -4.729 -7.136 -17.788 1.00 71.24 C ATOM 1292 O MET A 94 -4.600 -8.329 -18.063 1.00 73.50 O ATOM 1293 CB MET A 94 -6.806 -5.991 -18.584 1.00 34.14 C ATOM 1294 CG MET A 94 -7.165 -4.785 -17.730 1.00 23.50 C ATOM 1295 SD MET A 94 -8.809 -4.142 -18.093 1.00 13.41 S ATOM 1296 CE MET A 94 -9.625 -4.390 -16.518 1.00 74.40 C ATOM 0 H MET A 94 -5.668 -7.343 -20.498 1.00 5.24 H new ATOM 0 HA MET A 94 -4.813 -5.192 -18.673 1.00 11.44 H new ATOM 0 HB2 MET A 94 -7.301 -5.901 -19.551 1.00 34.14 H new ATOM 0 HB3 MET A 94 -7.196 -6.891 -18.109 1.00 34.14 H new ATOM 0 HG2 MET A 94 -7.112 -5.062 -16.677 1.00 23.50 H new ATOM 0 HG3 MET A 94 -6.428 -3.998 -17.891 1.00 23.50 H new ATOM 0 HE1 MET A 94 -10.655 -4.040 -16.583 1.00 74.40 H new ATOM 0 HE2 MET A 94 -9.618 -5.451 -16.267 1.00 74.40 H new ATOM 0 HE3 MET A 94 -9.100 -3.831 -15.744 1.00 74.40 H new ATOM 1306 N LYS A 95 -4.386 -6.625 -16.611 1.00 11.11 N ATOM 1307 CA LYS A 95 -3.828 -7.454 -15.550 1.00 24.14 C ATOM 1308 C LYS A 95 -4.821 -8.528 -15.118 1.00 53.12 C ATOM 1309 O LYS A 95 -4.438 -9.658 -14.813 1.00 43.23 O ATOM 1310 CB LYS A 95 -3.442 -6.589 -14.348 1.00 2.22 C ATOM 1311 CG LYS A 95 -4.619 -5.866 -13.716 1.00 43.42 C ATOM 1312 CD LYS A 95 -4.166 -4.653 -12.920 1.00 60.11 C ATOM 1313 CE LYS A 95 -5.309 -3.676 -12.695 1.00 14.33 C ATOM 1314 NZ LYS A 95 -4.963 -2.642 -11.681 1.00 13.44 N ATOM 0 H LYS A 95 -4.485 -5.639 -16.368 1.00 11.11 H new ATOM 0 HA LYS A 95 -2.936 -7.945 -15.939 1.00 24.14 H new ATOM 0 HB2 LYS A 95 -2.967 -7.218 -13.596 1.00 2.22 H new ATOM 0 HB3 LYS A 95 -2.701 -5.854 -14.663 1.00 2.22 H new ATOM 0 HG2 LYS A 95 -5.315 -5.553 -14.494 1.00 43.42 H new ATOM 0 HG3 LYS A 95 -5.159 -6.551 -13.062 1.00 43.42 H new ATOM 0 HD2 LYS A 95 -3.767 -4.976 -11.958 1.00 60.11 H new ATOM 0 HD3 LYS A 95 -3.356 -4.151 -13.449 1.00 60.11 H new ATOM 0 HE2 LYS A 95 -5.562 -3.190 -13.637 1.00 14.33 H new ATOM 0 HE3 LYS A 95 -6.195 -4.222 -12.370 1.00 14.33 H new ATOM 0 HZ1 LYS A 95 -5.768 -1.995 -11.556 1.00 13.44 H new ATOM 0 HZ2 LYS A 95 -4.746 -3.104 -10.775 1.00 13.44 H new ATOM 0 HZ3 LYS A 95 -4.133 -2.104 -12.003 1.00 13.44 H new ATOM 1328 N THR A 96 -6.101 -8.169 -15.096 1.00 12.12 N ATOM 1329 CA THR A 96 -7.150 -9.101 -14.702 1.00 62.53 C ATOM 1330 C THR A 96 -7.182 -10.314 -15.625 1.00 61.23 C ATOM 1331 O THR A 96 -7.240 -11.456 -15.167 1.00 1.22 O ATOM 1332 CB THR A 96 -8.534 -8.427 -14.712 1.00 14.42 C ATOM 1333 OG1 THR A 96 -8.444 -7.115 -14.145 1.00 0.14 O ATOM 1334 CG2 THR A 96 -9.545 -9.254 -13.931 1.00 41.53 C ATOM 0 H THR A 96 -6.436 -7.239 -15.347 1.00 12.12 H new ATOM 0 HA THR A 96 -6.920 -9.425 -13.687 1.00 62.53 H new ATOM 0 HB THR A 96 -8.870 -8.353 -15.746 1.00 14.42 H new ATOM 0 HG1 THR A 96 -9.328 -6.692 -14.157 1.00 0.14 H new ATOM 0 HG21 THR A 96 -10.515 -8.758 -13.952 1.00 41.53 H new ATOM 0 HG22 THR A 96 -9.633 -10.242 -14.382 1.00 41.53 H new ATOM 0 HG23 THR A 96 -9.212 -9.355 -12.898 1.00 41.53 H new ATOM 1342 N THR A 97 -7.143 -10.061 -16.930 1.00 11.42 N ATOM 1343 CA THR A 97 -7.168 -11.132 -17.918 1.00 11.23 C ATOM 1344 C THR A 97 -6.030 -12.119 -17.687 1.00 20.31 C ATOM 1345 O THR A 97 -6.244 -13.331 -17.653 1.00 70.34 O ATOM 1346 CB THR A 97 -7.068 -10.577 -19.351 1.00 52.50 C ATOM 1347 OG1 THR A 97 -7.874 -9.400 -19.478 1.00 0.32 O ATOM 1348 CG2 THR A 97 -7.517 -11.616 -20.367 1.00 21.43 C ATOM 0 H THR A 97 -7.094 -9.123 -17.327 1.00 11.42 H new ATOM 0 HA THR A 97 -8.122 -11.647 -17.802 1.00 11.23 H new ATOM 0 HB THR A 97 -6.025 -10.327 -19.547 1.00 52.50 H new ATOM 0 HG1 THR A 97 -7.804 -9.052 -20.392 1.00 0.32 H new ATOM 0 HG21 THR A 97 -7.437 -11.201 -21.372 1.00 21.43 H new ATOM 0 HG22 THR A 97 -6.883 -12.499 -20.288 1.00 21.43 H new ATOM 0 HG23 THR A 97 -8.553 -11.894 -20.170 1.00 21.43 H new ATOM 1356 N TYR A 98 -4.820 -11.594 -17.528 1.00 15.13 N ATOM 1357 CA TYR A 98 -3.648 -12.430 -17.302 1.00 24.15 C ATOM 1358 C TYR A 98 -3.806 -13.258 -16.030 1.00 71.52 C ATOM 1359 O TYR A 98 -3.571 -14.468 -16.029 1.00 54.33 O ATOM 1360 CB TYR A 98 -2.389 -11.565 -17.207 1.00 34.54 C ATOM 1361 CG TYR A 98 -1.591 -11.515 -18.490 1.00 14.31 C ATOM 1362 CD1 TYR A 98 -2.149 -11.009 -19.658 1.00 1.11 C ATOM 1363 CD2 TYR A 98 -0.281 -11.973 -18.535 1.00 23.22 C ATOM 1364 CE1 TYR A 98 -1.424 -10.961 -20.833 1.00 20.10 C ATOM 1365 CE2 TYR A 98 0.452 -11.928 -19.705 1.00 1.21 C ATOM 1366 CZ TYR A 98 -0.124 -11.421 -20.851 1.00 62.23 C ATOM 1367 OH TYR A 98 0.602 -11.376 -22.019 1.00 44.32 O ATOM 0 H TYR A 98 -4.626 -10.593 -17.552 1.00 15.13 H new ATOM 0 HA TYR A 98 -3.551 -13.111 -18.148 1.00 24.15 H new ATOM 0 HB2 TYR A 98 -2.675 -10.551 -16.927 1.00 34.54 H new ATOM 0 HB3 TYR A 98 -1.754 -11.949 -16.409 1.00 34.54 H new ATOM 0 HD1 TYR A 98 -3.167 -10.647 -19.647 1.00 1.11 H new ATOM 0 HD2 TYR A 98 0.173 -12.371 -17.640 1.00 23.22 H new ATOM 0 HE1 TYR A 98 -1.873 -10.566 -21.732 1.00 20.10 H new ATOM 0 HE2 TYR A 98 1.470 -12.288 -19.722 1.00 1.21 H new ATOM 0 HH TYR A 98 1.499 -11.737 -21.861 1.00 44.32 H new ATOM 1377 N LEU A 99 -4.207 -12.599 -14.949 1.00 24.23 N ATOM 1378 CA LEU A 99 -4.398 -13.273 -13.669 1.00 71.01 C ATOM 1379 C LEU A 99 -5.340 -14.463 -13.816 1.00 74.41 C ATOM 1380 O LEU A 99 -5.072 -15.547 -13.298 1.00 13.54 O ATOM 1381 CB LEU A 99 -4.953 -12.294 -12.633 1.00 4.03 C ATOM 1382 CG LEU A 99 -5.237 -12.874 -11.247 1.00 11.43 C ATOM 1383 CD1 LEU A 99 -4.062 -12.627 -10.314 1.00 24.53 C ATOM 1384 CD2 LEU A 99 -6.512 -12.276 -10.670 1.00 52.01 C ATOM 0 H LEU A 99 -4.406 -11.599 -14.933 1.00 24.23 H new ATOM 0 HA LEU A 99 -3.429 -13.640 -13.331 1.00 71.01 H new ATOM 0 HB2 LEU A 99 -4.245 -11.472 -12.523 1.00 4.03 H new ATOM 0 HB3 LEU A 99 -5.877 -11.868 -13.023 1.00 4.03 H new ATOM 0 HG LEU A 99 -5.376 -13.951 -11.346 1.00 11.43 H new ATOM 0 HD11 LEU A 99 -4.282 -13.047 -9.332 1.00 24.53 H new ATOM 0 HD12 LEU A 99 -3.169 -13.102 -10.720 1.00 24.53 H new ATOM 0 HD13 LEU A 99 -3.891 -11.555 -10.220 1.00 24.53 H new ATOM 0 HD21 LEU A 99 -6.699 -12.700 -9.683 1.00 52.01 H new ATOM 0 HD22 LEU A 99 -6.401 -11.195 -10.585 1.00 52.01 H new ATOM 0 HD23 LEU A 99 -7.351 -12.504 -11.328 1.00 52.01 H new ATOM 1396 N GLU A 100 -6.443 -14.254 -14.528 1.00 74.11 N ATOM 1397 CA GLU A 100 -7.424 -15.311 -14.744 1.00 73.22 C ATOM 1398 C GLU A 100 -6.831 -16.441 -15.582 1.00 15.41 C ATOM 1399 O GLU A 100 -7.088 -17.617 -15.327 1.00 75.32 O ATOM 1400 CB GLU A 100 -8.669 -14.749 -15.434 1.00 71.10 C ATOM 1401 CG GLU A 100 -9.973 -15.186 -14.787 1.00 42.22 C ATOM 1402 CD GLU A 100 -10.756 -16.155 -15.651 1.00 35.23 C ATOM 1403 OE1 GLU A 100 -10.219 -17.239 -15.962 1.00 53.23 O ATOM 1404 OE2 GLU A 100 -11.906 -15.831 -16.015 1.00 2.40 O ATOM 0 H GLU A 100 -6.679 -13.363 -14.965 1.00 74.11 H new ATOM 0 HA GLU A 100 -7.707 -15.713 -13.771 1.00 73.22 H new ATOM 0 HB2 GLU A 100 -8.617 -13.660 -15.428 1.00 71.10 H new ATOM 0 HB3 GLU A 100 -8.668 -15.062 -16.478 1.00 71.10 H new ATOM 0 HG2 GLU A 100 -9.759 -15.653 -13.826 1.00 42.22 H new ATOM 0 HG3 GLU A 100 -10.586 -14.308 -14.585 1.00 42.22 H new ATOM 1411 N ARG A 101 -6.038 -16.073 -16.582 1.00 65.34 N ATOM 1412 CA ARG A 101 -5.409 -17.054 -17.459 1.00 74.30 C ATOM 1413 C ARG A 101 -4.541 -18.021 -16.659 1.00 73.21 C ATOM 1414 O ARG A 101 -4.745 -19.235 -16.699 1.00 14.30 O ATOM 1415 CB ARG A 101 -4.563 -16.352 -18.522 1.00 43.10 C ATOM 1416 CG ARG A 101 -5.289 -16.147 -19.841 1.00 41.14 C ATOM 1417 CD ARG A 101 -4.991 -14.779 -20.434 1.00 54.53 C ATOM 1418 NE ARG A 101 -3.754 -14.776 -21.211 1.00 13.44 N ATOM 1419 CZ ARG A 101 -3.414 -13.801 -22.047 1.00 61.30 C ATOM 1420 NH1 ARG A 101 -4.213 -12.757 -22.214 1.00 55.00 N ATOM 1421 NH2 ARG A 101 -2.271 -13.870 -22.718 1.00 73.40 N ATOM 0 H ARG A 101 -5.815 -15.103 -16.806 1.00 65.34 H new ATOM 0 HA ARG A 101 -6.198 -17.623 -17.951 1.00 74.30 H new ATOM 0 HB2 ARG A 101 -4.244 -15.383 -18.138 1.00 43.10 H new ATOM 0 HB3 ARG A 101 -3.661 -16.937 -18.701 1.00 43.10 H new ATOM 0 HG2 ARG A 101 -4.991 -16.923 -20.546 1.00 41.14 H new ATOM 0 HG3 ARG A 101 -6.363 -16.252 -19.687 1.00 41.14 H new ATOM 0 HD2 ARG A 101 -5.820 -14.472 -21.072 1.00 54.53 H new ATOM 0 HD3 ARG A 101 -4.917 -14.045 -19.632 1.00 54.53 H new ATOM 0 HE ARG A 101 -3.117 -15.565 -21.106 1.00 13.44 H new ATOM 0 HH11 ARG A 101 -5.092 -12.700 -21.700 1.00 55.00 H new ATOM 0 HH12 ARG A 101 -3.949 -12.010 -22.857 1.00 55.00 H new ATOM 0 HH21 ARG A 101 -1.653 -14.672 -22.592 1.00 73.40 H new ATOM 0 HH22 ARG A 101 -2.010 -13.121 -23.360 1.00 73.40 H new ATOM 1435 N LYS A 102 -3.571 -17.475 -15.933 1.00 73.44 N ATOM 1436 CA LYS A 102 -2.672 -18.288 -15.123 1.00 43.21 C ATOM 1437 C LYS A 102 -3.447 -19.074 -14.071 1.00 14.43 C ATOM 1438 O LYS A 102 -3.160 -20.244 -13.820 1.00 13.33 O ATOM 1439 CB LYS A 102 -1.624 -17.403 -14.444 1.00 41.33 C ATOM 1440 CG LYS A 102 -2.222 -16.292 -13.598 1.00 41.03 C ATOM 1441 CD LYS A 102 -1.146 -15.379 -13.036 1.00 2.53 C ATOM 1442 CE LYS A 102 -0.420 -16.027 -11.867 1.00 3.42 C ATOM 1443 NZ LYS A 102 -0.325 -15.111 -10.696 1.00 73.11 N ATOM 0 H LYS A 102 -3.388 -16.473 -15.889 1.00 73.44 H new ATOM 0 HA LYS A 102 -2.170 -18.996 -15.782 1.00 43.21 H new ATOM 0 HB2 LYS A 102 -0.988 -18.025 -13.815 1.00 41.33 H new ATOM 0 HB3 LYS A 102 -0.983 -16.962 -15.208 1.00 41.33 H new ATOM 0 HG2 LYS A 102 -2.917 -15.708 -14.201 1.00 41.03 H new ATOM 0 HG3 LYS A 102 -2.797 -16.726 -12.779 1.00 41.03 H new ATOM 0 HD2 LYS A 102 -0.429 -15.134 -13.820 1.00 2.53 H new ATOM 0 HD3 LYS A 102 -1.596 -14.441 -12.711 1.00 2.53 H new ATOM 0 HE2 LYS A 102 -0.943 -16.937 -11.574 1.00 3.42 H new ATOM 0 HE3 LYS A 102 0.582 -16.321 -12.180 1.00 3.42 H new ATOM 0 HZ1 LYS A 102 0.176 -15.590 -9.921 1.00 73.11 H new ATOM 0 HZ2 LYS A 102 0.196 -14.253 -10.968 1.00 73.11 H new ATOM 0 HZ3 LYS A 102 -1.281 -14.850 -10.381 1.00 73.11 H new ATOM 1457 N ALA A 103 -4.432 -18.423 -13.460 1.00 20.15 N ATOM 1458 CA ALA A 103 -5.251 -19.062 -12.437 1.00 60.53 C ATOM 1459 C ALA A 103 -5.893 -20.340 -12.968 1.00 23.03 C ATOM 1460 O ALA A 103 -5.880 -21.374 -12.301 1.00 72.20 O ATOM 1461 CB ALA A 103 -6.319 -18.101 -11.939 1.00 13.51 C ATOM 0 H ALA A 103 -4.682 -17.454 -13.656 1.00 20.15 H new ATOM 0 HA ALA A 103 -4.603 -19.331 -11.603 1.00 60.53 H new ATOM 0 HB1 ALA A 103 -6.923 -18.592 -11.176 1.00 13.51 H new ATOM 0 HB2 ALA A 103 -5.843 -17.218 -11.513 1.00 13.51 H new ATOM 0 HB3 ALA A 103 -6.957 -17.804 -12.771 1.00 13.51 H new ATOM 1467 N GLU A 104 -6.453 -20.260 -14.170 1.00 73.05 N ATOM 1468 CA GLU A 104 -7.101 -21.411 -14.789 1.00 14.25 C ATOM 1469 C GLU A 104 -6.072 -22.462 -15.193 1.00 74.33 C ATOM 1470 O GLU A 104 -6.313 -23.662 -15.065 1.00 30.14 O ATOM 1471 CB GLU A 104 -7.908 -20.973 -16.013 1.00 33.12 C ATOM 1472 CG GLU A 104 -9.213 -21.732 -16.185 1.00 33.12 C ATOM 1473 CD GLU A 104 -9.000 -23.216 -16.409 1.00 64.53 C ATOM 1474 OE1 GLU A 104 -9.743 -24.020 -15.808 1.00 10.12 O ATOM 1475 OE2 GLU A 104 -8.090 -23.575 -17.186 1.00 4.24 O ATOM 0 H GLU A 104 -6.471 -19.411 -14.735 1.00 73.05 H new ATOM 0 HA GLU A 104 -7.777 -21.853 -14.057 1.00 14.25 H new ATOM 0 HB2 GLU A 104 -8.125 -19.908 -15.933 1.00 33.12 H new ATOM 0 HB3 GLU A 104 -7.299 -21.108 -16.907 1.00 33.12 H new ATOM 0 HG2 GLU A 104 -9.832 -21.587 -15.300 1.00 33.12 H new ATOM 0 HG3 GLU A 104 -9.762 -21.316 -17.030 1.00 33.12 H new ATOM 1482 N GLU A 105 -4.926 -22.002 -15.684 1.00 4.25 N ATOM 1483 CA GLU A 105 -3.861 -22.903 -16.109 1.00 3.35 C ATOM 1484 C GLU A 105 -3.448 -23.832 -14.971 1.00 3.13 C ATOM 1485 O GLU A 105 -3.561 -25.053 -15.081 1.00 24.23 O ATOM 1486 CB GLU A 105 -2.650 -22.103 -16.594 1.00 63.40 C ATOM 1487 CG GLU A 105 -1.569 -22.962 -17.230 1.00 11.20 C ATOM 1488 CD GLU A 105 -0.387 -22.146 -17.717 1.00 13.11 C ATOM 1489 OE1 GLU A 105 -0.319 -21.869 -18.933 1.00 21.50 O ATOM 1490 OE2 GLU A 105 0.469 -21.784 -16.883 1.00 33.30 O ATOM 0 H GLU A 105 -4.711 -21.011 -15.797 1.00 4.25 H new ATOM 0 HA GLU A 105 -4.240 -23.510 -16.931 1.00 3.35 H new ATOM 0 HB2 GLU A 105 -2.983 -21.358 -17.317 1.00 63.40 H new ATOM 0 HB3 GLU A 105 -2.222 -21.560 -15.751 1.00 63.40 H new ATOM 0 HG2 GLU A 105 -1.223 -23.699 -16.506 1.00 11.20 H new ATOM 0 HG3 GLU A 105 -1.995 -23.514 -18.068 1.00 11.20 H new ATOM 1497 N ILE A 106 -2.969 -23.245 -13.879 1.00 43.54 N ATOM 1498 CA ILE A 106 -2.539 -24.019 -12.722 1.00 14.14 C ATOM 1499 C ILE A 106 -3.667 -24.906 -12.204 1.00 51.44 C ATOM 1500 O ILE A 106 -3.428 -26.010 -11.717 1.00 12.23 O ATOM 1501 CB ILE A 106 -2.056 -23.104 -11.580 1.00 70.55 C ATOM 1502 CG1 ILE A 106 -1.578 -23.943 -10.393 1.00 73.01 C ATOM 1503 CG2 ILE A 106 -3.168 -22.157 -11.154 1.00 25.31 C ATOM 1504 CD1 ILE A 106 -0.447 -23.304 -9.619 1.00 23.52 C ATOM 0 H ILE A 106 -2.869 -22.236 -13.772 1.00 43.54 H new ATOM 0 HA ILE A 106 -1.709 -24.644 -13.052 1.00 14.14 H new ATOM 0 HB ILE A 106 -1.217 -22.509 -11.941 1.00 70.55 H new ATOM 0 HG12 ILE A 106 -2.417 -24.115 -9.719 1.00 73.01 H new ATOM 0 HG13 ILE A 106 -1.254 -24.919 -10.755 1.00 73.01 H new ATOM 0 HG21 ILE A 106 -2.812 -21.517 -10.347 1.00 25.31 H new ATOM 0 HG22 ILE A 106 -3.465 -21.540 -12.002 1.00 25.31 H new ATOM 0 HG23 ILE A 106 -4.025 -22.735 -10.808 1.00 25.31 H new ATOM 0 HD11 ILE A 106 -0.159 -23.954 -8.792 1.00 23.52 H new ATOM 0 HD12 ILE A 106 0.408 -23.156 -10.279 1.00 23.52 H new ATOM 0 HD13 ILE A 106 -0.773 -22.341 -9.227 1.00 23.52 H new ATOM 1516 N ALA A 107 -4.897 -24.415 -12.316 1.00 50.32 N ATOM 1517 CA ALA A 107 -6.063 -25.164 -11.864 1.00 4.14 C ATOM 1518 C ALA A 107 -6.157 -26.512 -12.570 1.00 1.00 C ATOM 1519 O ALA A 107 -6.414 -27.537 -11.939 1.00 70.05 O ATOM 1520 CB ALA A 107 -7.331 -24.356 -12.093 1.00 51.30 C ATOM 0 H ALA A 107 -5.112 -23.502 -12.716 1.00 50.32 H new ATOM 0 HA ALA A 107 -5.953 -25.350 -10.796 1.00 4.14 H new ATOM 0 HB1 ALA A 107 -8.194 -24.928 -11.751 1.00 51.30 H new ATOM 0 HB2 ALA A 107 -7.272 -23.421 -11.537 1.00 51.30 H new ATOM 0 HB3 ALA A 107 -7.438 -24.140 -13.156 1.00 51.30 H new ATOM 1526 N ALA A 108 -5.948 -26.503 -13.882 1.00 62.04 N ATOM 1527 CA ALA A 108 -6.008 -27.726 -14.674 1.00 10.51 C ATOM 1528 C ALA A 108 -4.869 -28.672 -14.310 1.00 40.20 C ATOM 1529 O ALA A 108 -5.065 -29.882 -14.196 1.00 14.10 O ATOM 1530 CB ALA A 108 -5.969 -27.395 -16.159 1.00 23.44 C ATOM 0 H ALA A 108 -5.736 -25.662 -14.419 1.00 62.04 H new ATOM 0 HA ALA A 108 -6.948 -28.229 -14.450 1.00 10.51 H new ATOM 0 HB1 ALA A 108 -6.014 -28.317 -16.739 1.00 23.44 H new ATOM 0 HB2 ALA A 108 -6.821 -26.764 -16.414 1.00 23.44 H new ATOM 0 HB3 ALA A 108 -5.044 -26.867 -16.390 1.00 23.44 H new ATOM 1536 N LYS A 109 -3.677 -28.113 -14.129 1.00 61.34 N ATOM 1537 CA LYS A 109 -2.505 -28.907 -13.778 1.00 12.31 C ATOM 1538 C LYS A 109 -2.701 -29.601 -12.434 1.00 13.32 C ATOM 1539 O LYS A 109 -2.608 -30.824 -12.336 1.00 23.44 O ATOM 1540 CB LYS A 109 -1.259 -28.019 -13.729 1.00 31.53 C ATOM 1541 CG LYS A 109 -0.909 -27.388 -15.065 1.00 12.31 C ATOM 1542 CD LYS A 109 0.526 -27.686 -15.464 1.00 22.01 C ATOM 1543 CE LYS A 109 0.680 -29.114 -15.964 1.00 24.20 C ATOM 1544 NZ LYS A 109 1.968 -29.719 -15.525 1.00 63.52 N ATOM 0 H LYS A 109 -3.497 -27.113 -14.220 1.00 61.34 H new ATOM 0 HA LYS A 109 -2.370 -29.670 -14.545 1.00 12.31 H new ATOM 0 HB2 LYS A 109 -1.414 -27.230 -12.994 1.00 31.53 H new ATOM 0 HB3 LYS A 109 -0.413 -28.613 -13.385 1.00 31.53 H new ATOM 0 HG2 LYS A 109 -1.586 -27.761 -15.833 1.00 12.31 H new ATOM 0 HG3 LYS A 109 -1.055 -26.309 -15.008 1.00 12.31 H new ATOM 0 HD2 LYS A 109 0.840 -26.991 -16.243 1.00 22.01 H new ATOM 0 HD3 LYS A 109 1.183 -27.526 -14.609 1.00 22.01 H new ATOM 0 HE2 LYS A 109 -0.149 -29.719 -15.597 1.00 24.20 H new ATOM 0 HE3 LYS A 109 0.626 -29.126 -17.053 1.00 24.20 H new ATOM 0 HZ1 LYS A 109 2.035 -30.692 -15.886 1.00 63.52 H new ATOM 0 HZ2 LYS A 109 2.760 -29.157 -15.896 1.00 63.52 H new ATOM 0 HZ3 LYS A 109 2.009 -29.731 -14.486 1.00 63.52 H new ATOM 1558 N LYS A 110 -2.975 -28.812 -11.400 1.00 52.12 N ATOM 1559 CA LYS A 110 -3.188 -29.350 -10.062 1.00 3.12 C ATOM 1560 C LYS A 110 -4.608 -29.885 -9.910 1.00 21.23 C ATOM 1561 O LYS A 110 -5.320 -30.073 -10.896 1.00 50.35 O ATOM 1562 CB LYS A 110 -2.922 -28.272 -9.008 1.00 70.04 C ATOM 1563 CG LYS A 110 -1.446 -28.023 -8.751 1.00 62.45 C ATOM 1564 CD LYS A 110 -0.898 -28.965 -7.692 1.00 41.20 C ATOM 1565 CE LYS A 110 -1.108 -28.411 -6.291 1.00 54.43 C ATOM 1566 NZ LYS A 110 0.055 -27.602 -5.834 1.00 44.00 N ATOM 0 H LYS A 110 -3.055 -27.797 -11.464 1.00 52.12 H new ATOM 0 HA LYS A 110 -2.490 -30.174 -9.914 1.00 3.12 H new ATOM 0 HB2 LYS A 110 -3.389 -27.340 -9.328 1.00 70.04 H new ATOM 0 HB3 LYS A 110 -3.401 -28.564 -8.073 1.00 70.04 H new ATOM 0 HG2 LYS A 110 -0.887 -28.152 -9.678 1.00 62.45 H new ATOM 0 HG3 LYS A 110 -1.300 -26.991 -8.432 1.00 62.45 H new ATOM 0 HD2 LYS A 110 -1.388 -29.935 -7.778 1.00 41.20 H new ATOM 0 HD3 LYS A 110 0.166 -29.128 -7.864 1.00 41.20 H new ATOM 0 HE2 LYS A 110 -2.007 -27.795 -6.275 1.00 54.43 H new ATOM 0 HE3 LYS A 110 -1.273 -29.234 -5.596 1.00 54.43 H new ATOM 0 HZ1 LYS A 110 -0.127 -27.243 -4.875 1.00 44.00 H new ATOM 0 HZ2 LYS A 110 0.909 -28.196 -5.825 1.00 44.00 H new ATOM 0 HZ3 LYS A 110 0.197 -26.801 -6.482 1.00 44.00 H new