USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 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 52 ASN :FLIP amide:sc=-0.00225 F(o=-0.88,f=-0.11) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.3) USER MOD Single : A 3 SER OG : rot -32:sc= 0.458 USER MOD Single : A 4 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.41) USER MOD Single : A 6 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 7 TYR OH : rot 165:sc= -2.21 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc=-0.00141 X(o=-0.0014,f=-0.014) USER MOD Single : A 17 THR OG1 : rot 59:sc= 0.385 USER MOD Single : A 24 GLN : amide:sc= -0.0298 K(o=-0.03,f=-0.63) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 42 SER OG : rot 114:sc= 0.833 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0816 X(o=-0.082,f=0.36) USER MOD Single : A 62 SER OG : rot 120:sc= 1.3 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc=-0.00523 X(o=-0.0052,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.012 -1.026 -3.662 1.00 11.53 N ATOM 23 CA SER A 3 6.449 -2.359 -3.265 1.00 42.20 C ATOM 24 C SER A 3 7.928 -2.562 -3.582 1.00 33.33 C ATOM 25 O SER A 3 8.373 -3.685 -3.817 1.00 45.25 O ATOM 26 CB SER A 3 5.613 -3.425 -3.975 1.00 34.23 C ATOM 27 OG SER A 3 5.270 -3.015 -5.287 1.00 40.30 O ATOM 0 HA SER A 3 6.309 -2.455 -2.188 1.00 42.20 H new ATOM 0 HB2 SER A 3 6.171 -4.360 -4.017 1.00 34.23 H new ATOM 0 HB3 SER A 3 4.706 -3.621 -3.403 1.00 34.23 H new ATOM 0 HG SER A 3 5.167 -2.041 -5.309 1.00 40.30 H new ATOM 33 N GLN A 4 8.682 -1.468 -3.585 1.00 13.23 N ATOM 34 CA GLN A 4 10.110 -1.525 -3.873 1.00 71.40 C ATOM 35 C GLN A 4 10.908 -1.837 -2.611 1.00 52.02 C ATOM 36 O GLN A 4 11.016 -1.003 -1.712 1.00 13.22 O ATOM 37 CB GLN A 4 10.584 -0.202 -4.477 1.00 33.15 C ATOM 38 CG GLN A 4 10.224 1.013 -3.637 1.00 21.13 C ATOM 39 CD GLN A 4 9.332 1.990 -4.376 1.00 54.01 C ATOM 40 OE1 GLN A 4 9.526 2.250 -5.564 1.00 71.40 O ATOM 41 NE2 GLN A 4 8.345 2.538 -3.676 1.00 4.11 N ATOM 0 H GLN A 4 8.328 -0.531 -3.391 1.00 13.23 H new ATOM 0 HA GLN A 4 10.278 -2.325 -4.594 1.00 71.40 H new ATOM 0 HB2 GLN A 4 11.666 -0.237 -4.605 1.00 33.15 H new ATOM 0 HB3 GLN A 4 10.149 -0.089 -5.470 1.00 33.15 H new ATOM 0 HG2 GLN A 4 9.721 0.685 -2.727 1.00 21.13 H new ATOM 0 HG3 GLN A 4 11.138 1.522 -3.331 1.00 21.13 H new ATOM 0 HE21 GLN A 4 8.220 2.294 -2.693 1.00 4.11 H new ATOM 0 HE22 GLN A 4 7.712 3.202 -4.121 1.00 4.11 H new ATOM 50 N ILE A 5 11.464 -3.042 -2.552 1.00 23.15 N ATOM 51 CA ILE A 5 12.253 -3.463 -1.400 1.00 13.30 C ATOM 52 C ILE A 5 13.584 -4.066 -1.836 1.00 35.42 C ATOM 53 O ILE A 5 13.658 -4.772 -2.842 1.00 74.13 O ATOM 54 CB ILE A 5 11.492 -4.491 -0.542 1.00 51.11 C ATOM 55 CG1 ILE A 5 10.030 -4.069 -0.378 1.00 5.34 C ATOM 56 CG2 ILE A 5 12.160 -4.646 0.816 1.00 43.12 C ATOM 57 CD1 ILE A 5 9.862 -2.729 0.304 1.00 33.14 C ATOM 0 H ILE A 5 11.383 -3.744 -3.288 1.00 23.15 H new ATOM 0 HA ILE A 5 12.440 -2.571 -0.802 1.00 13.30 H new ATOM 0 HB ILE A 5 11.517 -5.455 -1.049 1.00 51.11 H new ATOM 0 HG12 ILE A 5 9.559 -4.030 -1.360 1.00 5.34 H new ATOM 0 HG13 ILE A 5 9.503 -4.830 0.198 1.00 5.34 H new ATOM 0 HG21 ILE A 5 11.610 -5.376 1.411 1.00 43.12 H new ATOM 0 HG22 ILE A 5 13.186 -4.988 0.680 1.00 43.12 H new ATOM 0 HG23 ILE A 5 12.163 -3.686 1.332 1.00 43.12 H new ATOM 0 HD11 ILE A 5 8.801 -2.493 0.387 1.00 33.14 H new ATOM 0 HD12 ILE A 5 10.303 -2.770 1.300 1.00 33.14 H new ATOM 0 HD13 ILE A 5 10.360 -1.957 -0.283 1.00 33.14 H new ATOM 69 N HIS A 6 14.633 -3.786 -1.070 1.00 44.43 N ATOM 70 CA HIS A 6 15.963 -4.303 -1.376 1.00 15.01 C ATOM 71 C HIS A 6 16.681 -4.741 -0.103 1.00 40.41 C ATOM 72 O HIS A 6 16.441 -4.197 0.975 1.00 2.22 O ATOM 73 CB HIS A 6 16.790 -3.244 -2.104 1.00 42.42 C ATOM 74 CG HIS A 6 16.862 -1.936 -1.378 1.00 0.13 C ATOM 75 ND1 HIS A 6 17.988 -1.509 -0.706 1.00 0.01 N ATOM 76 CD2 HIS A 6 15.939 -0.958 -1.222 1.00 22.05 C ATOM 77 CE1 HIS A 6 17.754 -0.326 -0.166 1.00 42.15 C ATOM 78 NE2 HIS A 6 16.518 0.031 -0.465 1.00 40.10 N ATOM 0 H HIS A 6 14.589 -3.204 -0.233 1.00 44.43 H new ATOM 0 HA HIS A 6 15.848 -5.172 -2.025 1.00 15.01 H new ATOM 0 HB2 HIS A 6 17.801 -3.623 -2.253 1.00 42.42 H new ATOM 0 HB3 HIS A 6 16.363 -3.078 -3.093 1.00 42.42 H new ATOM 0 HD2 HIS A 6 14.935 -0.956 -1.619 1.00 22.05 H new ATOM 0 HE1 HIS A 6 18.454 0.251 0.420 1.00 42.15 H new ATOM 0 HE2 HIS A 6 16.067 0.900 -0.180 1.00 40.10 H new ATOM 86 N TYR A 7 17.562 -5.726 -0.236 1.00 33.11 N ATOM 87 CA TYR A 7 18.313 -6.239 0.904 1.00 55.11 C ATOM 88 C TYR A 7 19.815 -6.134 0.659 1.00 54.33 C ATOM 89 O TYR A 7 20.256 -5.896 -0.465 1.00 64.04 O ATOM 90 CB TYR A 7 17.930 -7.694 1.180 1.00 23.11 C ATOM 91 CG TYR A 7 16.446 -7.961 1.074 1.00 52.22 C ATOM 92 CD1 TYR A 7 15.519 -7.057 1.578 1.00 44.40 C ATOM 93 CD2 TYR A 7 15.970 -9.117 0.468 1.00 73.21 C ATOM 94 CE1 TYR A 7 14.162 -7.297 1.484 1.00 43.24 C ATOM 95 CE2 TYR A 7 14.614 -9.365 0.368 1.00 43.03 C ATOM 96 CZ TYR A 7 13.715 -8.452 0.877 1.00 33.15 C ATOM 97 OH TYR A 7 12.364 -8.694 0.780 1.00 34.42 O ATOM 0 H TYR A 7 17.774 -6.185 -1.122 1.00 33.11 H new ATOM 0 HA TYR A 7 18.062 -5.633 1.775 1.00 55.11 H new ATOM 0 HB2 TYR A 7 18.458 -8.339 0.477 1.00 23.11 H new ATOM 0 HB3 TYR A 7 18.269 -7.967 2.179 1.00 23.11 H new ATOM 0 HD1 TYR A 7 15.866 -6.150 2.052 1.00 44.40 H new ATOM 0 HD2 TYR A 7 16.672 -9.834 0.068 1.00 73.21 H new ATOM 0 HE1 TYR A 7 13.455 -6.585 1.883 1.00 43.24 H new ATOM 0 HE2 TYR A 7 14.261 -10.269 -0.106 1.00 43.03 H new ATOM 0 HH TYR A 7 12.206 -9.410 0.129 1.00 34.42 H new ATOM 107 N SER A 8 20.595 -6.313 1.720 1.00 72.22 N ATOM 108 CA SER A 8 22.048 -6.236 1.622 1.00 14.53 C ATOM 109 C SER A 8 22.689 -7.570 1.991 1.00 10.23 C ATOM 110 O SER A 8 22.625 -8.004 3.142 1.00 63.12 O ATOM 111 CB SER A 8 22.583 -5.130 2.534 1.00 12.14 C ATOM 112 OG SER A 8 22.269 -3.848 2.019 1.00 2.43 O ATOM 0 H SER A 8 20.245 -6.512 2.657 1.00 72.22 H new ATOM 0 HA SER A 8 22.306 -6.003 0.589 1.00 14.53 H new ATOM 0 HB2 SER A 8 22.157 -5.239 3.531 1.00 12.14 H new ATOM 0 HB3 SER A 8 23.664 -5.230 2.636 1.00 12.14 H new ATOM 0 HG SER A 8 22.620 -3.159 2.621 1.00 2.43 H new ATOM 118 N ILE A 9 23.306 -8.215 1.007 1.00 2.41 N ATOM 119 CA ILE A 9 23.960 -9.498 1.228 1.00 62.43 C ATOM 120 C ILE A 9 25.384 -9.491 0.681 1.00 74.44 C ATOM 121 O ILE A 9 25.613 -9.338 -0.519 1.00 42.22 O ATOM 122 CB ILE A 9 23.176 -10.650 0.572 1.00 53.03 C ATOM 123 CG1 ILE A 9 24.022 -11.924 0.548 1.00 22.31 C ATOM 124 CG2 ILE A 9 22.749 -10.265 -0.837 1.00 32.01 C ATOM 125 CD1 ILE A 9 23.298 -13.120 -0.030 1.00 44.15 C ATOM 0 H ILE A 9 23.367 -7.870 0.049 1.00 2.41 H new ATOM 0 HA ILE A 9 23.988 -9.656 2.306 1.00 62.43 H new ATOM 0 HB ILE A 9 22.280 -10.843 1.163 1.00 53.03 H new ATOM 0 HG12 ILE A 9 24.925 -11.740 -0.034 1.00 22.31 H new ATOM 0 HG13 ILE A 9 24.340 -12.158 1.564 1.00 22.31 H new ATOM 0 HG21 ILE A 9 22.196 -11.089 -1.288 1.00 32.01 H new ATOM 0 HG22 ILE A 9 22.113 -9.381 -0.796 1.00 32.01 H new ATOM 0 HG23 ILE A 9 23.632 -10.049 -1.438 1.00 32.01 H new ATOM 0 HD11 ILE A 9 23.958 -13.987 -0.015 1.00 44.15 H new ATOM 0 HD12 ILE A 9 22.410 -13.330 0.566 1.00 44.15 H new ATOM 0 HD13 ILE A 9 23.004 -12.905 -1.057 1.00 44.15 H new ATOM 137 N PRO A 10 26.364 -9.663 1.580 1.00 71.43 N ATOM 138 CA PRO A 10 27.782 -9.683 1.210 1.00 24.33 C ATOM 139 C PRO A 10 28.157 -10.931 0.417 1.00 4.52 C ATOM 140 O PRO A 10 27.705 -12.032 0.726 1.00 32.31 O ATOM 141 CB PRO A 10 28.501 -9.673 2.562 1.00 41.23 C ATOM 142 CG PRO A 10 27.523 -10.267 3.515 1.00 21.15 C ATOM 143 CD PRO A 10 26.163 -9.852 3.026 1.00 21.32 C ATOM 0 HA PRO A 10 28.047 -8.846 0.564 1.00 24.33 H new ATOM 0 HB2 PRO A 10 29.422 -10.255 2.525 1.00 41.23 H new ATOM 0 HB3 PRO A 10 28.776 -8.660 2.857 1.00 41.23 H new ATOM 0 HG2 PRO A 10 27.614 -11.353 3.541 1.00 21.15 H new ATOM 0 HG3 PRO A 10 27.699 -9.908 4.529 1.00 21.15 H new ATOM 0 HD2 PRO A 10 25.412 -10.615 3.231 1.00 21.32 H new ATOM 0 HD3 PRO A 10 25.825 -8.935 3.508 1.00 21.32 H new ATOM 151 N GLU A 11 28.987 -10.749 -0.606 1.00 1.25 N ATOM 152 CA GLU A 11 29.422 -11.861 -1.442 1.00 51.15 C ATOM 153 C GLU A 11 29.917 -13.024 -0.588 1.00 1.03 C ATOM 154 O GLU A 11 30.309 -12.838 0.564 1.00 44.24 O ATOM 155 CB GLU A 11 30.529 -11.408 -2.397 1.00 14.41 C ATOM 156 CG GLU A 11 30.021 -10.591 -3.574 1.00 31.53 C ATOM 157 CD GLU A 11 30.980 -10.603 -4.748 1.00 51.43 C ATOM 158 OE1 GLU A 11 32.047 -9.961 -4.648 1.00 61.51 O ATOM 159 OE2 GLU A 11 30.664 -11.251 -5.767 1.00 74.51 O ATOM 0 H GLU A 11 29.371 -9.843 -0.875 1.00 1.25 H new ATOM 0 HA GLU A 11 28.565 -12.200 -2.024 1.00 51.15 H new ATOM 0 HB2 GLU A 11 31.257 -10.816 -1.842 1.00 14.41 H new ATOM 0 HB3 GLU A 11 31.054 -12.286 -2.774 1.00 14.41 H new ATOM 0 HG2 GLU A 11 29.056 -10.983 -3.894 1.00 31.53 H new ATOM 0 HG3 GLU A 11 29.857 -9.562 -3.254 1.00 31.53 H new ATOM 166 N GLU A 12 29.895 -14.223 -1.161 1.00 32.45 N ATOM 167 CA GLU A 12 30.340 -15.417 -0.451 1.00 1.34 C ATOM 168 C GLU A 12 29.454 -15.692 0.761 1.00 52.51 C ATOM 169 O GLU A 12 29.924 -16.176 1.790 1.00 51.31 O ATOM 170 CB GLU A 12 31.796 -15.259 -0.006 1.00 73.32 C ATOM 171 CG GLU A 12 32.488 -16.579 0.290 1.00 33.13 C ATOM 172 CD GLU A 12 33.865 -16.392 0.896 1.00 21.53 C ATOM 173 OE1 GLU A 12 34.622 -15.535 0.395 1.00 40.13 O ATOM 174 OE2 GLU A 12 34.186 -17.103 1.871 1.00 23.43 O ATOM 0 H GLU A 12 29.574 -14.394 -2.114 1.00 32.45 H new ATOM 0 HA GLU A 12 30.265 -16.263 -1.134 1.00 1.34 H new ATOM 0 HB2 GLU A 12 32.350 -14.734 -0.784 1.00 73.32 H new ATOM 0 HB3 GLU A 12 31.829 -14.633 0.886 1.00 73.32 H new ATOM 0 HG2 GLU A 12 31.871 -17.163 0.973 1.00 33.13 H new ATOM 0 HG3 GLU A 12 32.576 -17.154 -0.632 1.00 33.13 H new ATOM 181 N ALA A 13 28.169 -15.378 0.630 1.00 70.01 N ATOM 182 CA ALA A 13 27.216 -15.592 1.712 1.00 23.12 C ATOM 183 C ALA A 13 26.839 -17.065 1.828 1.00 23.04 C ATOM 184 O ALA A 13 26.147 -17.609 0.968 1.00 34.33 O ATOM 185 CB ALA A 13 25.973 -14.742 1.496 1.00 33.44 C ATOM 0 H ALA A 13 27.764 -14.975 -0.215 1.00 70.01 H new ATOM 0 HA ALA A 13 27.690 -15.291 2.646 1.00 23.12 H new ATOM 0 HB1 ALA A 13 25.270 -14.912 2.311 1.00 33.44 H new ATOM 0 HB2 ALA A 13 26.252 -13.689 1.471 1.00 33.44 H new ATOM 0 HB3 ALA A 13 25.505 -15.016 0.550 1.00 33.44 H new ATOM 191 N LYS A 14 27.300 -17.706 2.897 1.00 20.30 N ATOM 192 CA LYS A 14 27.011 -19.117 3.127 1.00 2.10 C ATOM 193 C LYS A 14 25.514 -19.389 3.025 1.00 71.43 C ATOM 194 O LYS A 14 24.706 -18.461 2.978 1.00 74.55 O ATOM 195 CB LYS A 14 27.526 -19.546 4.503 1.00 74.21 C ATOM 196 CG LYS A 14 28.991 -19.944 4.507 1.00 5.03 C ATOM 197 CD LYS A 14 29.175 -21.391 4.932 1.00 63.45 C ATOM 198 CE LYS A 14 30.603 -21.863 4.700 1.00 12.04 C ATOM 199 NZ LYS A 14 30.995 -22.935 5.657 1.00 14.32 N ATOM 0 H LYS A 14 27.875 -17.271 3.618 1.00 20.30 H new ATOM 0 HA LYS A 14 27.521 -19.697 2.358 1.00 2.10 H new ATOM 0 HB2 LYS A 14 27.379 -18.728 5.208 1.00 74.21 H new ATOM 0 HB3 LYS A 14 26.929 -20.386 4.859 1.00 74.21 H new ATOM 0 HG2 LYS A 14 29.411 -19.800 3.511 1.00 5.03 H new ATOM 0 HG3 LYS A 14 29.544 -19.292 5.183 1.00 5.03 H new ATOM 0 HD2 LYS A 14 28.923 -21.496 5.987 1.00 63.45 H new ATOM 0 HD3 LYS A 14 28.486 -22.025 4.375 1.00 63.45 H new ATOM 0 HE2 LYS A 14 30.702 -22.233 3.680 1.00 12.04 H new ATOM 0 HE3 LYS A 14 31.285 -21.019 4.801 1.00 12.04 H new ATOM 0 HZ1 LYS A 14 31.974 -23.229 5.466 1.00 14.32 H new ATOM 0 HZ2 LYS A 14 30.925 -22.574 6.630 1.00 14.32 H new ATOM 0 HZ3 LYS A 14 30.360 -23.751 5.544 1.00 14.32 H new ATOM 213 N HIS A 15 25.150 -20.668 2.992 1.00 4.41 N ATOM 214 CA HIS A 15 23.749 -21.062 2.898 1.00 43.24 C ATOM 215 C HIS A 15 22.993 -20.690 4.170 1.00 65.51 C ATOM 216 O HIS A 15 23.295 -21.193 5.252 1.00 75.13 O ATOM 217 CB HIS A 15 23.637 -22.565 2.644 1.00 34.40 C ATOM 218 CG HIS A 15 24.418 -23.032 1.455 1.00 60.43 C ATOM 219 ND1 HIS A 15 25.298 -24.093 1.502 1.00 44.43 N ATOM 220 CD2 HIS A 15 24.446 -22.578 0.180 1.00 4.00 C ATOM 221 CE1 HIS A 15 25.836 -24.269 0.308 1.00 72.11 C ATOM 222 NE2 HIS A 15 25.335 -23.363 -0.512 1.00 62.05 N ATOM 0 H HIS A 15 25.806 -21.448 3.029 1.00 4.41 H new ATOM 0 HA HIS A 15 23.301 -20.526 2.061 1.00 43.24 H new ATOM 0 HB2 HIS A 15 23.982 -23.101 3.528 1.00 34.40 H new ATOM 0 HB3 HIS A 15 22.588 -22.824 2.503 1.00 34.40 H new ATOM 0 HD2 HIS A 15 23.875 -21.752 -0.219 1.00 4.00 H new ATOM 0 HE1 HIS A 15 26.562 -25.025 0.047 1.00 72.11 H new ATOM 0 HE2 HIS A 15 25.570 -23.263 -1.499 1.00 62.05 H new ATOM 230 N GLY A 16 22.010 -19.806 4.032 1.00 62.01 N ATOM 231 CA GLY A 16 21.228 -19.382 5.178 1.00 14.01 C ATOM 232 C GLY A 16 21.714 -18.069 5.758 1.00 1.15 C ATOM 233 O GLY A 16 21.259 -17.644 6.821 1.00 1.11 O ATOM 0 H GLY A 16 21.741 -19.376 3.147 1.00 62.01 H new ATOM 0 HA2 GLY A 16 20.183 -19.281 4.884 1.00 14.01 H new ATOM 0 HA3 GLY A 16 21.269 -20.153 5.947 1.00 14.01 H new ATOM 237 N THR A 17 22.644 -17.423 5.061 1.00 73.41 N ATOM 238 CA THR A 17 23.195 -16.153 5.514 1.00 14.43 C ATOM 239 C THR A 17 22.127 -15.064 5.528 1.00 22.33 C ATOM 240 O THR A 17 21.254 -15.026 4.661 1.00 33.34 O ATOM 241 CB THR A 17 24.364 -15.697 4.622 1.00 44.12 C ATOM 242 OG1 THR A 17 25.433 -16.648 4.691 1.00 75.23 O ATOM 243 CG2 THR A 17 24.870 -14.327 5.049 1.00 32.45 C ATOM 0 H THR A 17 23.031 -17.760 4.180 1.00 73.41 H new ATOM 0 HA THR A 17 23.562 -16.312 6.528 1.00 14.43 H new ATOM 0 HB THR A 17 24.003 -15.630 3.596 1.00 44.12 H new ATOM 0 HG1 THR A 17 25.109 -17.526 4.401 1.00 75.23 H new ATOM 0 HG21 THR A 17 25.696 -14.027 4.404 1.00 32.45 H new ATOM 0 HG22 THR A 17 24.063 -13.599 4.967 1.00 32.45 H new ATOM 0 HG23 THR A 17 25.215 -14.372 6.082 1.00 32.45 H new ATOM 251 N PHE A 18 22.203 -14.180 6.517 1.00 4.12 N ATOM 252 CA PHE A 18 21.243 -13.090 6.644 1.00 72.11 C ATOM 253 C PHE A 18 21.316 -12.158 5.438 1.00 53.01 C ATOM 254 O PHE A 18 22.399 -11.857 4.936 1.00 11.23 O ATOM 255 CB PHE A 18 21.501 -12.301 7.929 1.00 44.10 C ATOM 256 CG PHE A 18 20.443 -11.277 8.227 1.00 22.41 C ATOM 257 CD1 PHE A 18 20.416 -10.071 7.546 1.00 72.31 C ATOM 258 CD2 PHE A 18 19.476 -11.521 9.189 1.00 23.41 C ATOM 259 CE1 PHE A 18 19.443 -9.127 7.817 1.00 22.45 C ATOM 260 CE2 PHE A 18 18.501 -10.582 9.465 1.00 41.34 C ATOM 261 CZ PHE A 18 18.485 -9.383 8.779 1.00 42.30 C ATOM 0 H PHE A 18 22.920 -14.197 7.242 1.00 4.12 H new ATOM 0 HA PHE A 18 20.244 -13.523 6.687 1.00 72.11 H new ATOM 0 HB2 PHE A 18 21.568 -12.997 8.766 1.00 44.10 H new ATOM 0 HB3 PHE A 18 22.467 -11.802 7.852 1.00 44.10 H new ATOM 0 HD1 PHE A 18 21.164 -9.866 6.794 1.00 72.31 H new ATOM 0 HD2 PHE A 18 19.485 -12.456 9.729 1.00 23.41 H new ATOM 0 HE1 PHE A 18 19.432 -8.191 7.278 1.00 22.45 H new ATOM 0 HE2 PHE A 18 17.752 -10.785 10.216 1.00 41.34 H new ATOM 0 HZ PHE A 18 17.725 -8.647 8.994 1.00 42.30 H new ATOM 271 N VAL A 19 20.154 -11.705 4.977 1.00 42.32 N ATOM 272 CA VAL A 19 20.085 -10.807 3.830 1.00 11.43 C ATOM 273 C VAL A 19 19.318 -9.535 4.174 1.00 11.31 C ATOM 274 O VAL A 19 19.775 -8.427 3.895 1.00 74.14 O ATOM 275 CB VAL A 19 19.413 -11.488 2.624 1.00 52.05 C ATOM 276 CG1 VAL A 19 19.504 -10.602 1.391 1.00 44.14 C ATOM 277 CG2 VAL A 19 20.042 -12.848 2.361 1.00 5.40 C ATOM 0 H VAL A 19 19.248 -11.945 5.380 1.00 42.32 H new ATOM 0 HA VAL A 19 21.111 -10.550 3.567 1.00 11.43 H new ATOM 0 HB VAL A 19 18.359 -11.640 2.856 1.00 52.05 H new ATOM 0 HG11 VAL A 19 19.024 -11.100 0.549 1.00 44.14 H new ATOM 0 HG12 VAL A 19 19.002 -9.654 1.586 1.00 44.14 H new ATOM 0 HG13 VAL A 19 20.551 -10.416 1.153 1.00 44.14 H new ATOM 0 HG21 VAL A 19 19.555 -13.315 1.505 1.00 5.40 H new ATOM 0 HG22 VAL A 19 21.104 -12.723 2.150 1.00 5.40 H new ATOM 0 HG23 VAL A 19 19.919 -13.482 3.239 1.00 5.40 H new ATOM 287 N GLY A 20 18.148 -9.702 4.784 1.00 50.04 N ATOM 288 CA GLY A 20 17.336 -8.559 5.156 1.00 13.44 C ATOM 289 C GLY A 20 16.023 -8.964 5.798 1.00 64.24 C ATOM 290 O GLY A 20 15.842 -10.121 6.179 1.00 44.32 O ATOM 0 H GLY A 20 17.749 -10.609 5.027 1.00 50.04 H new ATOM 0 HA2 GLY A 20 17.896 -7.929 5.847 1.00 13.44 H new ATOM 0 HA3 GLY A 20 17.133 -7.958 4.270 1.00 13.44 H new ATOM 294 N ARG A 21 15.106 -8.010 5.919 1.00 60.24 N ATOM 295 CA ARG A 21 13.805 -8.274 6.521 1.00 52.40 C ATOM 296 C ARG A 21 12.690 -8.135 5.489 1.00 73.55 C ATOM 297 O ARG A 21 11.975 -7.133 5.463 1.00 41.02 O ATOM 298 CB ARG A 21 13.556 -7.316 7.688 1.00 53.24 C ATOM 299 CG ARG A 21 14.767 -7.121 8.585 1.00 31.31 C ATOM 300 CD ARG A 21 14.379 -7.140 10.055 1.00 24.54 C ATOM 301 NE ARG A 21 15.407 -6.537 10.900 1.00 14.30 N ATOM 302 CZ ARG A 21 15.378 -6.567 12.228 1.00 74.13 C ATOM 303 NH1 ARG A 21 14.379 -7.169 12.859 1.00 51.13 N ATOM 304 NH2 ARG A 21 16.349 -5.995 12.927 1.00 4.00 N ATOM 0 H ARG A 21 15.240 -7.048 5.608 1.00 60.24 H new ATOM 0 HA ARG A 21 13.806 -9.298 6.894 1.00 52.40 H new ATOM 0 HB2 ARG A 21 13.248 -6.348 7.293 1.00 53.24 H new ATOM 0 HB3 ARG A 21 12.728 -7.694 8.287 1.00 53.24 H new ATOM 0 HG2 ARG A 21 15.496 -7.907 8.390 1.00 31.31 H new ATOM 0 HG3 ARG A 21 15.249 -6.173 8.347 1.00 31.31 H new ATOM 0 HD2 ARG A 21 13.439 -6.604 10.189 1.00 24.54 H new ATOM 0 HD3 ARG A 21 14.207 -8.169 10.371 1.00 24.54 H new ATOM 0 HE ARG A 21 16.190 -6.067 10.445 1.00 14.30 H new ATOM 0 HH11 ARG A 21 13.631 -7.610 12.325 1.00 51.13 H new ATOM 0 HH12 ARG A 21 14.359 -7.191 13.879 1.00 51.13 H new ATOM 0 HH21 ARG A 21 17.119 -5.531 12.445 1.00 4.00 H new ATOM 0 HH22 ARG A 21 16.326 -6.019 13.946 1.00 4.00 H new ATOM 318 N ILE A 22 12.548 -9.148 4.640 1.00 51.34 N ATOM 319 CA ILE A 22 11.520 -9.139 3.606 1.00 10.01 C ATOM 320 C ILE A 22 10.147 -8.839 4.199 1.00 43.14 C ATOM 321 O ILE A 22 9.382 -8.048 3.648 1.00 73.41 O ATOM 322 CB ILE A 22 11.461 -10.485 2.859 1.00 2.42 C ATOM 323 CG1 ILE A 22 10.294 -10.493 1.870 1.00 60.10 C ATOM 324 CG2 ILE A 22 11.333 -11.634 3.848 1.00 42.12 C ATOM 325 CD1 ILE A 22 10.379 -11.601 0.844 1.00 25.41 C ATOM 0 H ILE A 22 13.131 -9.985 4.648 1.00 51.34 H new ATOM 0 HA ILE A 22 11.789 -8.353 2.901 1.00 10.01 H new ATOM 0 HB ILE A 22 12.387 -10.615 2.299 1.00 2.42 H new ATOM 0 HG12 ILE A 22 9.360 -10.592 2.423 1.00 60.10 H new ATOM 0 HG13 ILE A 22 10.259 -9.533 1.354 1.00 60.10 H new ATOM 0 HG21 ILE A 22 11.292 -12.578 3.305 1.00 42.12 H new ATOM 0 HG22 ILE A 22 12.194 -11.636 4.516 1.00 42.12 H new ATOM 0 HG23 ILE A 22 10.421 -11.512 4.432 1.00 42.12 H new ATOM 0 HD11 ILE A 22 9.519 -11.545 0.176 1.00 25.41 H new ATOM 0 HD12 ILE A 22 11.296 -11.491 0.265 1.00 25.41 H new ATOM 0 HD13 ILE A 22 10.383 -12.566 1.350 1.00 25.41 H new ATOM 337 N ALA A 23 9.844 -9.474 5.326 1.00 74.33 N ATOM 338 CA ALA A 23 8.565 -9.272 5.996 1.00 71.44 C ATOM 339 C ALA A 23 8.479 -7.878 6.606 1.00 50.42 C ATOM 340 O ALA A 23 7.522 -7.143 6.364 1.00 51.14 O ATOM 341 CB ALA A 23 8.357 -10.333 7.067 1.00 41.12 C ATOM 0 H ALA A 23 10.466 -10.133 5.794 1.00 74.33 H new ATOM 0 HA ALA A 23 7.774 -9.363 5.251 1.00 71.44 H new ATOM 0 HB1 ALA A 23 7.398 -10.170 7.559 1.00 41.12 H new ATOM 0 HB2 ALA A 23 8.365 -11.321 6.607 1.00 41.12 H new ATOM 0 HB3 ALA A 23 9.158 -10.269 7.803 1.00 41.12 H new ATOM 347 N GLN A 24 9.484 -7.520 7.398 1.00 25.31 N ATOM 348 CA GLN A 24 9.520 -6.213 8.044 1.00 65.43 C ATOM 349 C GLN A 24 9.351 -5.096 7.020 1.00 15.31 C ATOM 350 O GLN A 24 8.660 -4.108 7.273 1.00 31.54 O ATOM 351 CB GLN A 24 10.837 -6.031 8.801 1.00 31.43 C ATOM 352 CG GLN A 24 10.746 -5.038 9.949 1.00 63.43 C ATOM 353 CD GLN A 24 10.006 -5.598 11.148 1.00 40.35 C ATOM 354 OE1 GLN A 24 10.179 -6.761 11.511 1.00 72.52 O ATOM 355 NE2 GLN A 24 9.175 -4.770 11.770 1.00 43.51 N ATOM 0 H GLN A 24 10.284 -8.116 7.608 1.00 25.31 H new ATOM 0 HA GLN A 24 8.692 -6.162 8.751 1.00 65.43 H new ATOM 0 HB2 GLN A 24 11.159 -6.997 9.191 1.00 31.43 H new ATOM 0 HB3 GLN A 24 11.605 -5.697 8.103 1.00 31.43 H new ATOM 0 HG2 GLN A 24 11.751 -4.745 10.252 1.00 63.43 H new ATOM 0 HG3 GLN A 24 10.241 -4.135 9.604 1.00 63.43 H new ATOM 0 HE21 GLN A 24 9.062 -3.813 11.435 1.00 43.51 H new ATOM 0 HE22 GLN A 24 8.649 -5.091 12.583 1.00 43.51 H new ATOM 364 N ASP A 25 9.985 -5.258 5.864 1.00 13.41 N ATOM 365 CA ASP A 25 9.903 -4.262 4.801 1.00 21.34 C ATOM 366 C ASP A 25 8.557 -4.338 4.088 1.00 13.02 C ATOM 367 O ASP A 25 8.074 -3.344 3.543 1.00 31.34 O ATOM 368 CB ASP A 25 11.039 -4.464 3.797 1.00 54.24 C ATOM 369 CG ASP A 25 12.399 -4.512 4.463 1.00 65.11 C ATOM 370 OD1 ASP A 25 12.592 -3.800 5.471 1.00 71.35 O ATOM 371 OD2 ASP A 25 13.273 -5.261 3.976 1.00 35.23 O ATOM 0 H ASP A 25 10.561 -6.069 5.639 1.00 13.41 H new ATOM 0 HA ASP A 25 9.999 -3.275 5.253 1.00 21.34 H new ATOM 0 HB2 ASP A 25 10.874 -5.391 3.248 1.00 54.24 H new ATOM 0 HB3 ASP A 25 11.023 -3.654 3.068 1.00 54.24 H new ATOM 376 N LEU A 26 7.956 -5.523 4.094 1.00 13.43 N ATOM 377 CA LEU A 26 6.665 -5.729 3.447 1.00 13.10 C ATOM 378 C LEU A 26 5.534 -5.144 4.288 1.00 23.51 C ATOM 379 O LEU A 26 4.594 -4.555 3.758 1.00 15.22 O ATOM 380 CB LEU A 26 6.422 -7.221 3.212 1.00 3.13 C ATOM 381 CG LEU A 26 6.603 -7.712 1.776 1.00 74.43 C ATOM 382 CD1 LEU A 26 7.970 -7.313 1.242 1.00 13.35 C ATOM 383 CD2 LEU A 26 6.419 -9.221 1.701 1.00 23.22 C ATOM 0 H LEU A 26 8.342 -6.355 4.540 1.00 13.43 H new ATOM 0 HA LEU A 26 6.682 -5.214 2.486 1.00 13.10 H new ATOM 0 HB2 LEU A 26 7.098 -7.785 3.855 1.00 3.13 H new ATOM 0 HB3 LEU A 26 5.407 -7.458 3.531 1.00 3.13 H new ATOM 0 HG LEU A 26 5.842 -7.241 1.154 1.00 74.43 H new ATOM 0 HD11 LEU A 26 8.080 -7.672 0.219 1.00 13.35 H new ATOM 0 HD12 LEU A 26 8.064 -6.227 1.258 1.00 13.35 H new ATOM 0 HD13 LEU A 26 8.747 -7.754 1.866 1.00 13.35 H new ATOM 0 HD21 LEU A 26 6.551 -9.553 0.671 1.00 23.22 H new ATOM 0 HD22 LEU A 26 7.157 -9.710 2.337 1.00 23.22 H new ATOM 0 HD23 LEU A 26 5.417 -9.483 2.041 1.00 23.22 H new ATOM 395 N GLY A 27 5.635 -5.311 5.603 1.00 0.15 N ATOM 396 CA GLY A 27 4.616 -4.792 6.497 1.00 72.50 C ATOM 397 C GLY A 27 3.550 -5.821 6.819 1.00 12.23 C ATOM 398 O GLY A 27 2.361 -5.501 6.862 1.00 30.35 O ATOM 0 H GLY A 27 6.404 -5.796 6.065 1.00 0.15 H new ATOM 0 HA2 GLY A 27 5.085 -4.457 7.422 1.00 72.50 H new ATOM 0 HA3 GLY A 27 4.148 -3.919 6.042 1.00 72.50 H new ATOM 402 N LEU A 28 3.974 -7.059 7.045 1.00 71.32 N ATOM 403 CA LEU A 28 3.047 -8.140 7.363 1.00 14.53 C ATOM 404 C LEU A 28 3.548 -8.956 8.550 1.00 4.43 C ATOM 405 O LEU A 28 4.741 -8.956 8.855 1.00 75.51 O ATOM 406 CB LEU A 28 2.856 -9.049 6.148 1.00 31.35 C ATOM 407 CG LEU A 28 3.818 -8.822 4.982 1.00 24.32 C ATOM 408 CD1 LEU A 28 5.223 -9.270 5.355 1.00 43.14 C ATOM 409 CD2 LEU A 28 3.334 -9.557 3.740 1.00 2.44 C ATOM 0 H LEU A 28 4.954 -7.340 7.014 1.00 71.32 H new ATOM 0 HA LEU A 28 2.088 -7.696 7.631 1.00 14.53 H new ATOM 0 HB2 LEU A 28 2.952 -10.084 6.475 1.00 31.35 H new ATOM 0 HB3 LEU A 28 1.837 -8.923 5.782 1.00 31.35 H new ATOM 0 HG LEU A 28 3.845 -7.755 4.761 1.00 24.32 H new ATOM 0 HD11 LEU A 28 5.894 -9.101 4.513 1.00 43.14 H new ATOM 0 HD12 LEU A 28 5.570 -8.699 6.216 1.00 43.14 H new ATOM 0 HD13 LEU A 28 5.213 -10.331 5.603 1.00 43.14 H new ATOM 0 HD21 LEU A 28 4.031 -9.384 2.920 1.00 2.44 H new ATOM 0 HD22 LEU A 28 3.277 -10.625 3.949 1.00 2.44 H new ATOM 0 HD23 LEU A 28 2.347 -9.189 3.461 1.00 2.44 H new ATOM 421 N GLU A 29 2.630 -9.650 9.215 1.00 61.42 N ATOM 422 CA GLU A 29 2.981 -10.472 10.367 1.00 12.35 C ATOM 423 C GLU A 29 3.298 -11.902 9.940 1.00 12.12 C ATOM 424 O GLU A 29 2.684 -12.437 9.016 1.00 15.41 O ATOM 425 CB GLU A 29 1.839 -10.473 11.387 1.00 64.44 C ATOM 426 CG GLU A 29 2.192 -9.790 12.697 1.00 43.42 C ATOM 427 CD GLU A 29 2.184 -10.745 13.874 1.00 34.03 C ATOM 428 OE1 GLU A 29 1.081 -11.121 14.324 1.00 32.11 O ATOM 429 OE2 GLU A 29 3.279 -11.116 14.346 1.00 75.30 O ATOM 0 H GLU A 29 1.638 -9.659 8.976 1.00 61.42 H new ATOM 0 HA GLU A 29 3.871 -10.044 10.829 1.00 12.35 H new ATOM 0 HB2 GLU A 29 0.973 -9.976 10.950 1.00 64.44 H new ATOM 0 HB3 GLU A 29 1.547 -11.503 11.591 1.00 64.44 H new ATOM 0 HG2 GLU A 29 3.178 -9.334 12.610 1.00 43.42 H new ATOM 0 HG3 GLU A 29 1.484 -8.983 12.884 1.00 43.42 H new ATOM 436 N LEU A 30 4.261 -12.516 10.619 1.00 40.25 N ATOM 437 CA LEU A 30 4.661 -13.884 10.310 1.00 24.20 C ATOM 438 C LEU A 30 3.484 -14.843 10.458 1.00 52.53 C ATOM 439 O LEU A 30 3.441 -15.894 9.818 1.00 34.34 O ATOM 440 CB LEU A 30 5.806 -14.320 11.226 1.00 64.33 C ATOM 441 CG LEU A 30 6.952 -13.321 11.390 1.00 11.15 C ATOM 442 CD1 LEU A 30 8.013 -13.875 12.329 1.00 52.22 C ATOM 443 CD2 LEU A 30 7.560 -12.979 10.038 1.00 53.40 C ATOM 0 H LEU A 30 4.779 -12.088 11.387 1.00 40.25 H new ATOM 0 HA LEU A 30 5.000 -13.912 9.275 1.00 24.20 H new ATOM 0 HB2 LEU A 30 5.394 -14.535 12.212 1.00 64.33 H new ATOM 0 HB3 LEU A 30 6.217 -15.254 10.842 1.00 64.33 H new ATOM 0 HG LEU A 30 6.551 -12.406 11.827 1.00 11.15 H new ATOM 0 HD11 LEU A 30 8.821 -13.150 12.434 1.00 52.22 H new ATOM 0 HD12 LEU A 30 7.570 -14.068 13.306 1.00 52.22 H new ATOM 0 HD13 LEU A 30 8.410 -14.805 11.921 1.00 52.22 H new ATOM 0 HD21 LEU A 30 8.374 -12.267 10.175 1.00 53.40 H new ATOM 0 HD22 LEU A 30 7.946 -13.886 9.573 1.00 53.40 H new ATOM 0 HD23 LEU A 30 6.797 -12.539 9.397 1.00 53.40 H new ATOM 455 N THR A 31 2.528 -14.471 11.304 1.00 73.34 N ATOM 456 CA THR A 31 1.349 -15.297 11.535 1.00 50.43 C ATOM 457 C THR A 31 0.285 -15.045 10.472 1.00 31.25 C ATOM 458 O THR A 31 -0.808 -15.608 10.531 1.00 64.13 O ATOM 459 CB THR A 31 0.742 -15.032 12.926 1.00 61.44 C ATOM 460 OG1 THR A 31 0.809 -13.635 13.232 1.00 74.22 O ATOM 461 CG2 THR A 31 1.476 -15.827 13.996 1.00 54.32 C ATOM 0 H THR A 31 2.547 -13.604 11.840 1.00 73.34 H new ATOM 0 HA THR A 31 1.674 -16.336 11.481 1.00 50.43 H new ATOM 0 HB THR A 31 -0.301 -15.350 12.910 1.00 61.44 H new ATOM 0 HG1 THR A 31 0.420 -13.475 14.117 1.00 74.22 H new ATOM 0 HG21 THR A 31 1.030 -15.624 14.970 1.00 54.32 H new ATOM 0 HG22 THR A 31 1.398 -16.892 13.776 1.00 54.32 H new ATOM 0 HG23 THR A 31 2.526 -15.535 14.010 1.00 54.32 H new ATOM 469 N GLU A 32 0.612 -14.197 9.503 1.00 42.23 N ATOM 470 CA GLU A 32 -0.317 -13.872 8.427 1.00 14.33 C ATOM 471 C GLU A 32 0.220 -14.349 7.081 1.00 34.31 C ATOM 472 O GLU A 32 -0.526 -14.460 6.107 1.00 64.25 O ATOM 473 CB GLU A 32 -0.571 -12.363 8.381 1.00 34.54 C ATOM 474 CG GLU A 32 -1.307 -11.833 9.600 1.00 14.21 C ATOM 475 CD GLU A 32 -2.812 -11.811 9.409 1.00 4.34 C ATOM 476 OE1 GLU A 32 -3.362 -12.821 8.923 1.00 13.24 O ATOM 477 OE2 GLU A 32 -3.438 -10.784 9.746 1.00 62.14 O ATOM 0 H GLU A 32 1.513 -13.723 9.441 1.00 42.23 H new ATOM 0 HA GLU A 32 -1.257 -14.386 8.626 1.00 14.33 H new ATOM 0 HB2 GLU A 32 0.384 -11.845 8.290 1.00 34.54 H new ATOM 0 HB3 GLU A 32 -1.149 -12.127 7.487 1.00 34.54 H new ATOM 0 HG2 GLU A 32 -1.063 -12.451 10.464 1.00 14.21 H new ATOM 0 HG3 GLU A 32 -0.958 -10.824 9.821 1.00 14.21 H new ATOM 484 N LEU A 33 1.517 -14.630 7.034 1.00 21.15 N ATOM 485 CA LEU A 33 2.156 -15.095 5.808 1.00 33.31 C ATOM 486 C LEU A 33 1.643 -16.478 5.418 1.00 51.11 C ATOM 487 O LEU A 33 1.370 -16.743 4.247 1.00 13.40 O ATOM 488 CB LEU A 33 3.675 -15.133 5.983 1.00 32.14 C ATOM 489 CG LEU A 33 4.427 -13.858 5.600 1.00 74.15 C ATOM 490 CD1 LEU A 33 3.932 -12.679 6.422 1.00 10.42 C ATOM 491 CD2 LEU A 33 5.925 -14.047 5.783 1.00 64.25 C ATOM 0 H LEU A 33 2.147 -14.544 7.831 1.00 21.15 H new ATOM 0 HA LEU A 33 1.906 -14.396 5.010 1.00 33.31 H new ATOM 0 HB2 LEU A 33 3.895 -15.361 7.026 1.00 32.14 H new ATOM 0 HB3 LEU A 33 4.069 -15.956 5.387 1.00 32.14 H new ATOM 0 HG LEU A 33 4.234 -13.647 4.548 1.00 74.15 H new ATOM 0 HD11 LEU A 33 4.479 -11.781 6.136 1.00 10.42 H new ATOM 0 HD12 LEU A 33 2.868 -12.530 6.240 1.00 10.42 H new ATOM 0 HD13 LEU A 33 4.094 -12.880 7.481 1.00 10.42 H new ATOM 0 HD21 LEU A 33 6.444 -13.130 5.506 1.00 64.25 H new ATOM 0 HD22 LEU A 33 6.137 -14.283 6.826 1.00 64.25 H new ATOM 0 HD23 LEU A 33 6.269 -14.864 5.149 1.00 64.25 H new ATOM 503 N VAL A 34 1.512 -17.356 6.407 1.00 25.12 N ATOM 504 CA VAL A 34 1.029 -18.711 6.168 1.00 10.43 C ATOM 505 C VAL A 34 -0.295 -18.696 5.412 1.00 22.32 C ATOM 506 O VAL A 34 -0.425 -19.265 4.328 1.00 50.42 O ATOM 507 CB VAL A 34 0.845 -19.482 7.489 1.00 60.03 C ATOM 508 CG1 VAL A 34 -0.283 -20.494 7.363 1.00 35.23 C ATOM 509 CG2 VAL A 34 2.143 -20.166 7.891 1.00 0.52 C ATOM 0 H VAL A 34 1.734 -17.153 7.382 1.00 25.12 H new ATOM 0 HA VAL A 34 1.784 -19.215 5.564 1.00 10.43 H new ATOM 0 HB VAL A 34 0.578 -18.771 8.271 1.00 60.03 H new ATOM 0 HG11 VAL A 34 -0.399 -21.029 8.305 1.00 35.23 H new ATOM 0 HG12 VAL A 34 -1.212 -19.976 7.124 1.00 35.23 H new ATOM 0 HG13 VAL A 34 -0.048 -21.203 6.569 1.00 35.23 H new ATOM 0 HG21 VAL A 34 1.995 -20.706 8.826 1.00 0.52 H new ATOM 0 HG22 VAL A 34 2.442 -20.866 7.111 1.00 0.52 H new ATOM 0 HG23 VAL A 34 2.923 -19.417 8.024 1.00 0.52 H new ATOM 519 N PRO A 35 -1.302 -18.031 5.996 1.00 54.30 N ATOM 520 CA PRO A 35 -2.635 -17.925 5.394 1.00 1.02 C ATOM 521 C PRO A 35 -2.641 -17.041 4.151 1.00 33.35 C ATOM 522 O PRO A 35 -3.584 -17.073 3.361 1.00 54.31 O ATOM 523 CB PRO A 35 -3.477 -17.292 6.505 1.00 45.31 C ATOM 524 CG PRO A 35 -2.498 -16.542 7.341 1.00 42.52 C ATOM 525 CD PRO A 35 -1.218 -17.330 7.288 1.00 13.22 C ATOM 0 HA PRO A 35 -3.008 -18.892 5.057 1.00 1.02 H new ATOM 0 HB2 PRO A 35 -4.238 -16.628 6.095 1.00 45.31 H new ATOM 0 HB3 PRO A 35 -3.997 -18.051 7.089 1.00 45.31 H new ATOM 0 HG2 PRO A 35 -2.351 -15.532 6.958 1.00 42.52 H new ATOM 0 HG3 PRO A 35 -2.854 -16.445 8.367 1.00 42.52 H new ATOM 0 HD2 PRO A 35 -0.344 -16.680 7.337 1.00 13.22 H new ATOM 0 HD3 PRO A 35 -1.142 -18.030 8.120 1.00 13.22 H new ATOM 533 N ARG A 36 -1.583 -16.254 3.985 1.00 33.32 N ATOM 534 CA ARG A 36 -1.468 -15.361 2.839 1.00 70.34 C ATOM 535 C ARG A 36 -0.796 -16.068 1.665 1.00 42.31 C ATOM 536 O ARG A 36 -0.448 -15.439 0.664 1.00 0.35 O ATOM 537 CB ARG A 36 -0.674 -14.110 3.217 1.00 25.14 C ATOM 538 CG ARG A 36 -1.526 -13.008 3.826 1.00 61.44 C ATOM 539 CD ARG A 36 -0.695 -11.777 4.151 1.00 54.35 C ATOM 540 NE ARG A 36 -1.528 -10.596 4.365 1.00 61.04 N ATOM 541 CZ ARG A 36 -1.079 -9.351 4.255 1.00 10.45 C ATOM 542 NH1 ARG A 36 0.188 -9.125 3.936 1.00 53.41 N ATOM 543 NH2 ARG A 36 -1.898 -8.328 4.466 1.00 71.04 N ATOM 0 H ARG A 36 -0.793 -16.217 4.630 1.00 33.32 H new ATOM 0 HA ARG A 36 -2.473 -15.067 2.537 1.00 70.34 H new ATOM 0 HB2 ARG A 36 0.108 -14.386 3.925 1.00 25.14 H new ATOM 0 HB3 ARG A 36 -0.177 -13.723 2.328 1.00 25.14 H new ATOM 0 HG2 ARG A 36 -2.323 -12.738 3.133 1.00 61.44 H new ATOM 0 HG3 ARG A 36 -2.004 -13.376 4.734 1.00 61.44 H new ATOM 0 HD2 ARG A 36 -0.099 -11.967 5.044 1.00 54.35 H new ATOM 0 HD3 ARG A 36 0.003 -11.585 3.336 1.00 54.35 H new ATOM 0 HE ARG A 36 -2.508 -10.735 4.612 1.00 61.04 H new ATOM 0 HH11 ARG A 36 0.821 -9.908 3.774 1.00 53.41 H new ATOM 0 HH12 ARG A 36 0.530 -8.168 3.852 1.00 53.41 H new ATOM 0 HH21 ARG A 36 -2.873 -8.498 4.713 1.00 71.04 H new ATOM 0 HH22 ARG A 36 -1.552 -7.372 4.381 1.00 71.04 H new ATOM 557 N LEU A 37 -0.616 -17.377 1.794 1.00 25.41 N ATOM 558 CA LEU A 37 0.016 -18.170 0.745 1.00 75.15 C ATOM 559 C LEU A 37 1.294 -17.500 0.251 1.00 71.55 C ATOM 560 O LEU A 37 1.446 -17.233 -0.941 1.00 41.55 O ATOM 561 CB LEU A 37 -0.953 -18.370 -0.423 1.00 22.23 C ATOM 562 CG LEU A 37 -1.928 -19.541 -0.292 1.00 52.54 C ATOM 563 CD1 LEU A 37 -1.173 -20.857 -0.195 1.00 3.24 C ATOM 564 CD2 LEU A 37 -2.831 -19.350 0.918 1.00 62.32 C ATOM 0 H LEU A 37 -0.899 -17.913 2.615 1.00 25.41 H new ATOM 0 HA LEU A 37 0.276 -19.142 1.165 1.00 75.15 H new ATOM 0 HB2 LEU A 37 -1.531 -17.455 -0.551 1.00 22.23 H new ATOM 0 HB3 LEU A 37 -0.370 -18.509 -1.333 1.00 22.23 H new ATOM 0 HG LEU A 37 -2.552 -19.571 -1.185 1.00 52.54 H new ATOM 0 HD11 LEU A 37 -1.884 -21.678 -0.102 1.00 3.24 H new ATOM 0 HD12 LEU A 37 -0.571 -20.998 -1.092 1.00 3.24 H new ATOM 0 HD13 LEU A 37 -0.523 -20.840 0.680 1.00 3.24 H new ATOM 0 HD21 LEU A 37 -3.518 -20.192 0.996 1.00 62.32 H new ATOM 0 HD22 LEU A 37 -2.223 -19.293 1.821 1.00 62.32 H new ATOM 0 HD23 LEU A 37 -3.400 -18.427 0.805 1.00 62.32 H new ATOM 576 N PHE A 38 2.211 -17.234 1.174 1.00 24.53 N ATOM 577 CA PHE A 38 3.478 -16.597 0.833 1.00 71.42 C ATOM 578 C PHE A 38 4.347 -17.530 -0.005 1.00 62.14 C ATOM 579 O PHE A 38 4.407 -18.734 0.246 1.00 15.22 O ATOM 580 CB PHE A 38 4.226 -16.189 2.103 1.00 4.42 C ATOM 581 CG PHE A 38 5.039 -14.936 1.943 1.00 1.32 C ATOM 582 CD1 PHE A 38 4.430 -13.691 1.968 1.00 21.35 C ATOM 583 CD2 PHE A 38 6.412 -15.002 1.768 1.00 32.10 C ATOM 584 CE1 PHE A 38 5.176 -12.537 1.821 1.00 54.13 C ATOM 585 CE2 PHE A 38 7.163 -13.851 1.620 1.00 33.11 C ATOM 586 CZ PHE A 38 6.544 -12.617 1.648 1.00 53.25 C ATOM 0 H PHE A 38 2.101 -17.450 2.165 1.00 24.53 H new ATOM 0 HA PHE A 38 3.261 -15.705 0.245 1.00 71.42 H new ATOM 0 HB2 PHE A 38 3.506 -16.045 2.909 1.00 4.42 H new ATOM 0 HB3 PHE A 38 4.884 -17.004 2.405 1.00 4.42 H new ATOM 0 HD1 PHE A 38 3.361 -13.622 2.104 1.00 21.35 H new ATOM 0 HD2 PHE A 38 6.901 -15.965 1.747 1.00 32.10 H new ATOM 0 HE1 PHE A 38 4.690 -11.573 1.841 1.00 54.13 H new ATOM 0 HE2 PHE A 38 8.232 -13.917 1.483 1.00 33.11 H new ATOM 0 HZ PHE A 38 7.129 -11.716 1.535 1.00 53.25 H new ATOM 596 N ARG A 39 5.020 -16.965 -1.003 1.00 35.21 N ATOM 597 CA ARG A 39 5.884 -17.745 -1.880 1.00 23.52 C ATOM 598 C ARG A 39 6.957 -16.863 -2.511 1.00 4.03 C ATOM 599 O ARG A 39 6.775 -15.654 -2.656 1.00 64.13 O ATOM 600 CB ARG A 39 5.058 -18.424 -2.974 1.00 41.54 C ATOM 601 CG ARG A 39 5.413 -19.886 -3.187 1.00 34.20 C ATOM 602 CD ARG A 39 5.015 -20.360 -4.576 1.00 54.42 C ATOM 603 NE ARG A 39 6.166 -20.816 -5.350 1.00 3.32 N ATOM 604 CZ ARG A 39 6.708 -22.022 -5.220 1.00 54.23 C ATOM 605 NH1 ARG A 39 6.204 -22.888 -4.352 1.00 72.44 N ATOM 606 NH2 ARG A 39 7.755 -22.363 -5.960 1.00 73.42 N ATOM 0 H ARG A 39 4.983 -15.970 -1.224 1.00 35.21 H new ATOM 0 HA ARG A 39 6.375 -18.510 -1.278 1.00 23.52 H new ATOM 0 HB2 ARG A 39 4.001 -18.349 -2.718 1.00 41.54 H new ATOM 0 HB3 ARG A 39 5.198 -17.885 -3.911 1.00 41.54 H new ATOM 0 HG2 ARG A 39 6.485 -20.025 -3.047 1.00 34.20 H new ATOM 0 HG3 ARG A 39 4.912 -20.496 -2.436 1.00 34.20 H new ATOM 0 HD2 ARG A 39 4.293 -21.171 -4.489 1.00 54.42 H new ATOM 0 HD3 ARG A 39 4.519 -19.548 -5.108 1.00 54.42 H new ATOM 0 HE ARG A 39 6.576 -20.174 -6.028 1.00 3.32 H new ATOM 0 HH11 ARG A 39 5.399 -22.629 -3.782 1.00 72.44 H new ATOM 0 HH12 ARG A 39 6.622 -23.813 -4.254 1.00 72.44 H new ATOM 0 HH21 ARG A 39 8.144 -21.699 -6.629 1.00 73.42 H new ATOM 0 HH22 ARG A 39 8.171 -23.289 -5.860 1.00 73.42 H new ATOM 620 N VAL A 40 8.077 -17.476 -2.883 1.00 13.20 N ATOM 621 CA VAL A 40 9.179 -16.747 -3.499 1.00 1.45 C ATOM 622 C VAL A 40 9.647 -17.434 -4.777 1.00 14.43 C ATOM 623 O VAL A 40 9.653 -18.661 -4.867 1.00 51.22 O ATOM 624 CB VAL A 40 10.373 -16.614 -2.534 1.00 35.31 C ATOM 625 CG1 VAL A 40 11.525 -15.886 -3.207 1.00 45.33 C ATOM 626 CG2 VAL A 40 9.950 -15.899 -1.260 1.00 2.53 C ATOM 0 H VAL A 40 8.245 -18.476 -2.768 1.00 13.20 H new ATOM 0 HA VAL A 40 8.804 -15.753 -3.741 1.00 1.45 H new ATOM 0 HB VAL A 40 10.715 -17.614 -2.266 1.00 35.31 H new ATOM 0 HG11 VAL A 40 12.359 -15.802 -2.510 1.00 45.33 H new ATOM 0 HG12 VAL A 40 11.843 -16.444 -4.088 1.00 45.33 H new ATOM 0 HG13 VAL A 40 11.200 -14.890 -3.507 1.00 45.33 H new ATOM 0 HG21 VAL A 40 10.805 -15.814 -0.590 1.00 2.53 H new ATOM 0 HG22 VAL A 40 9.582 -14.903 -1.507 1.00 2.53 H new ATOM 0 HG23 VAL A 40 9.160 -16.467 -0.769 1.00 2.53 H new ATOM 636 N ALA A 41 10.038 -16.633 -5.763 1.00 21.32 N ATOM 637 CA ALA A 41 10.510 -17.164 -7.036 1.00 20.13 C ATOM 638 C ALA A 41 11.308 -16.117 -7.805 1.00 53.23 C ATOM 639 O ALA A 41 11.421 -14.969 -7.375 1.00 23.33 O ATOM 640 CB ALA A 41 9.336 -17.655 -7.870 1.00 45.05 C ATOM 0 H ALA A 41 10.037 -15.615 -5.705 1.00 21.32 H new ATOM 0 HA ALA A 41 11.171 -18.006 -6.829 1.00 20.13 H new ATOM 0 HB1 ALA A 41 9.703 -18.049 -8.818 1.00 45.05 H new ATOM 0 HB2 ALA A 41 8.809 -18.442 -7.329 1.00 45.05 H new ATOM 0 HB3 ALA A 41 8.654 -16.827 -8.061 1.00 45.05 H new ATOM 646 N SER A 42 11.859 -16.520 -8.946 1.00 1.24 N ATOM 647 CA SER A 42 12.650 -15.617 -9.773 1.00 44.21 C ATOM 648 C SER A 42 12.621 -16.053 -11.235 1.00 21.22 C ATOM 649 O SER A 42 12.360 -17.216 -11.543 1.00 35.21 O ATOM 650 CB SER A 42 14.095 -15.567 -9.273 1.00 3.11 C ATOM 651 OG SER A 42 14.963 -16.267 -10.148 1.00 54.22 O ATOM 0 H SER A 42 11.772 -17.466 -9.318 1.00 1.24 H new ATOM 0 HA SER A 42 12.213 -14.621 -9.700 1.00 44.21 H new ATOM 0 HB2 SER A 42 14.418 -14.529 -9.189 1.00 3.11 H new ATOM 0 HB3 SER A 42 14.153 -16.001 -8.275 1.00 3.11 H new ATOM 0 HG SER A 42 15.582 -15.635 -10.570 1.00 54.22 H new ATOM 657 N LYS A 43 12.892 -15.112 -12.132 1.00 55.43 N ATOM 658 CA LYS A 43 12.898 -15.396 -13.562 1.00 61.23 C ATOM 659 C LYS A 43 14.240 -15.978 -13.995 1.00 71.30 C ATOM 660 O LYS A 43 14.324 -16.691 -14.995 1.00 44.14 O ATOM 661 CB LYS A 43 12.602 -14.123 -14.358 1.00 2.20 C ATOM 662 CG LYS A 43 11.119 -13.847 -14.534 1.00 41.34 C ATOM 663 CD LYS A 43 10.851 -12.369 -14.767 1.00 72.45 C ATOM 664 CE LYS A 43 10.706 -12.056 -16.249 1.00 35.22 C ATOM 665 NZ LYS A 43 9.360 -11.505 -16.570 1.00 33.51 N ATOM 0 H LYS A 43 13.111 -14.145 -11.894 1.00 55.43 H new ATOM 0 HA LYS A 43 12.120 -16.132 -13.764 1.00 61.23 H new ATOM 0 HB2 LYS A 43 13.064 -13.274 -13.854 1.00 2.20 H new ATOM 0 HB3 LYS A 43 13.067 -14.202 -15.340 1.00 2.20 H new ATOM 0 HG2 LYS A 43 10.738 -14.424 -15.377 1.00 41.34 H new ATOM 0 HG3 LYS A 43 10.578 -14.181 -13.648 1.00 41.34 H new ATOM 0 HD2 LYS A 43 9.942 -12.076 -14.241 1.00 72.45 H new ATOM 0 HD3 LYS A 43 11.666 -11.780 -14.348 1.00 72.45 H new ATOM 0 HE2 LYS A 43 11.472 -11.339 -16.546 1.00 35.22 H new ATOM 0 HE3 LYS A 43 10.875 -12.963 -16.830 1.00 35.22 H new ATOM 0 HZ1 LYS A 43 9.301 -11.305 -17.589 1.00 33.51 H new ATOM 0 HZ2 LYS A 43 8.630 -12.199 -16.311 1.00 33.51 H new ATOM 0 HZ3 LYS A 43 9.208 -10.626 -16.035 1.00 33.51 H new ATOM 679 N ASP A 44 15.285 -15.672 -13.235 1.00 3.30 N ATOM 680 CA ASP A 44 16.623 -16.167 -13.539 1.00 10.14 C ATOM 681 C ASP A 44 16.694 -17.681 -13.368 1.00 34.24 C ATOM 682 O ASP A 44 16.661 -18.428 -14.346 1.00 24.35 O ATOM 683 CB ASP A 44 17.657 -15.491 -12.637 1.00 41.43 C ATOM 684 CG ASP A 44 18.378 -14.354 -13.335 1.00 14.53 C ATOM 685 OD1 ASP A 44 19.343 -14.630 -14.077 1.00 54.11 O ATOM 686 OD2 ASP A 44 17.977 -13.187 -13.137 1.00 72.13 O ATOM 0 H ASP A 44 15.232 -15.083 -12.404 1.00 3.30 H new ATOM 0 HA ASP A 44 16.845 -15.926 -14.578 1.00 10.14 H new ATOM 0 HB2 ASP A 44 17.162 -15.110 -11.744 1.00 41.43 H new ATOM 0 HB3 ASP A 44 18.386 -16.231 -12.306 1.00 41.43 H new ATOM 691 N ARG A 45 16.791 -18.127 -12.119 1.00 50.42 N ATOM 692 CA ARG A 45 16.869 -19.551 -11.820 1.00 73.54 C ATOM 693 C ARG A 45 15.716 -19.981 -10.918 1.00 31.33 C ATOM 694 O ARG A 45 15.400 -21.166 -10.819 1.00 74.12 O ATOM 695 CB ARG A 45 18.204 -19.882 -11.152 1.00 44.00 C ATOM 696 CG ARG A 45 18.617 -21.337 -11.303 1.00 3.03 C ATOM 697 CD ARG A 45 19.894 -21.472 -12.118 1.00 73.32 C ATOM 698 NE ARG A 45 19.778 -20.832 -13.426 1.00 20.41 N ATOM 699 CZ ARG A 45 19.110 -21.360 -14.446 1.00 15.34 C ATOM 700 NH1 ARG A 45 18.500 -22.529 -14.309 1.00 53.00 N ATOM 701 NH2 ARG A 45 19.050 -20.717 -15.605 1.00 13.33 N ATOM 0 H ARG A 45 16.817 -17.522 -11.298 1.00 50.42 H new ATOM 0 HA ARG A 45 16.796 -20.098 -12.760 1.00 73.54 H new ATOM 0 HB2 ARG A 45 18.981 -19.247 -11.578 1.00 44.00 H new ATOM 0 HB3 ARG A 45 18.140 -19.640 -10.091 1.00 44.00 H new ATOM 0 HG2 ARG A 45 18.765 -21.779 -10.317 1.00 3.03 H new ATOM 0 HG3 ARG A 45 17.815 -21.896 -11.786 1.00 3.03 H new ATOM 0 HD2 ARG A 45 20.724 -21.027 -11.569 1.00 73.32 H new ATOM 0 HD3 ARG A 45 20.130 -22.528 -12.251 1.00 73.32 H new ATOM 0 HE ARG A 45 20.235 -19.930 -13.564 1.00 20.41 H new ATOM 0 HH11 ARG A 45 18.543 -23.025 -13.419 1.00 53.00 H new ATOM 0 HH12 ARG A 45 17.988 -22.932 -15.094 1.00 53.00 H new ATOM 0 HH21 ARG A 45 19.517 -19.817 -15.713 1.00 13.33 H new ATOM 0 HH22 ARG A 45 18.537 -21.123 -16.388 1.00 13.33 H new ATOM 715 N GLY A 46 15.092 -19.009 -10.260 1.00 13.13 N ATOM 716 CA GLY A 46 13.982 -19.307 -9.373 1.00 51.34 C ATOM 717 C GLY A 46 14.438 -19.869 -8.042 1.00 2.23 C ATOM 718 O GLY A 46 13.618 -20.189 -7.181 1.00 54.43 O ATOM 0 H GLY A 46 15.335 -18.021 -10.325 1.00 13.13 H new ATOM 0 HA2 GLY A 46 13.404 -18.399 -9.202 1.00 51.34 H new ATOM 0 HA3 GLY A 46 13.316 -20.022 -9.857 1.00 51.34 H new ATOM 722 N ASP A 47 15.750 -19.991 -7.871 1.00 71.12 N ATOM 723 CA ASP A 47 16.314 -20.519 -6.635 1.00 23.33 C ATOM 724 C ASP A 47 17.506 -19.683 -6.180 1.00 42.54 C ATOM 725 O ASP A 47 18.646 -20.150 -6.189 1.00 12.21 O ATOM 726 CB ASP A 47 16.741 -21.976 -6.825 1.00 12.30 C ATOM 727 CG ASP A 47 16.868 -22.718 -5.509 1.00 63.34 C ATOM 728 OD1 ASP A 47 17.400 -22.130 -4.545 1.00 4.23 O ATOM 729 OD2 ASP A 47 16.435 -23.887 -5.444 1.00 61.51 O ATOM 0 H ASP A 47 16.443 -19.731 -8.573 1.00 71.12 H new ATOM 0 HA ASP A 47 15.544 -20.471 -5.865 1.00 23.33 H new ATOM 0 HB2 ASP A 47 16.014 -22.485 -7.457 1.00 12.30 H new ATOM 0 HB3 ASP A 47 17.696 -22.006 -7.350 1.00 12.30 H new ATOM 734 N LEU A 48 17.236 -18.443 -5.785 1.00 61.32 N ATOM 735 CA LEU A 48 18.286 -17.540 -5.328 1.00 44.02 C ATOM 736 C LEU A 48 18.280 -17.423 -3.807 1.00 41.34 C ATOM 737 O LEU A 48 19.330 -17.476 -3.165 1.00 41.25 O ATOM 738 CB LEU A 48 18.107 -16.158 -5.958 1.00 43.34 C ATOM 739 CG LEU A 48 18.190 -16.100 -7.484 1.00 53.11 C ATOM 740 CD1 LEU A 48 17.043 -15.276 -8.050 1.00 5.12 C ATOM 741 CD2 LEU A 48 19.529 -15.527 -7.925 1.00 11.14 C ATOM 0 H LEU A 48 16.299 -18.041 -5.772 1.00 61.32 H new ATOM 0 HA LEU A 48 19.246 -17.952 -5.638 1.00 44.02 H new ATOM 0 HB2 LEU A 48 17.138 -15.764 -5.652 1.00 43.34 H new ATOM 0 HB3 LEU A 48 18.866 -15.492 -5.547 1.00 43.34 H new ATOM 0 HG LEU A 48 18.107 -17.115 -7.872 1.00 53.11 H new ATOM 0 HD11 LEU A 48 17.118 -15.246 -9.137 1.00 5.12 H new ATOM 0 HD12 LEU A 48 16.094 -15.729 -7.765 1.00 5.12 H new ATOM 0 HD13 LEU A 48 17.094 -14.262 -7.654 1.00 5.12 H new ATOM 0 HD21 LEU A 48 19.570 -15.494 -9.014 1.00 11.14 H new ATOM 0 HD22 LEU A 48 19.642 -14.519 -7.526 1.00 11.14 H new ATOM 0 HD23 LEU A 48 20.336 -16.158 -7.551 1.00 11.14 H new ATOM 753 N LEU A 49 17.091 -17.265 -3.236 1.00 61.24 N ATOM 754 CA LEU A 49 16.947 -17.143 -1.790 1.00 2.12 C ATOM 755 C LEU A 49 15.555 -17.578 -1.342 1.00 44.13 C ATOM 756 O LEU A 49 14.744 -18.022 -2.153 1.00 75.32 O ATOM 757 CB LEU A 49 17.209 -15.701 -1.352 1.00 12.14 C ATOM 758 CG LEU A 49 18.661 -15.228 -1.430 1.00 71.44 C ATOM 759 CD1 LEU A 49 18.945 -14.601 -2.786 1.00 41.31 C ATOM 760 CD2 LEU A 49 18.963 -14.243 -0.311 1.00 34.14 C ATOM 0 H LEU A 49 16.213 -17.218 -3.753 1.00 61.24 H new ATOM 0 HA LEU A 49 17.680 -17.798 -1.320 1.00 2.12 H new ATOM 0 HB2 LEU A 49 16.599 -15.039 -1.967 1.00 12.14 H new ATOM 0 HB3 LEU A 49 16.866 -15.587 -0.324 1.00 12.14 H new ATOM 0 HG LEU A 49 19.312 -16.094 -1.309 1.00 71.44 H new ATOM 0 HD11 LEU A 49 19.983 -14.270 -2.824 1.00 41.31 H new ATOM 0 HD12 LEU A 49 18.770 -15.337 -3.571 1.00 41.31 H new ATOM 0 HD13 LEU A 49 18.286 -13.746 -2.937 1.00 41.31 H new ATOM 0 HD21 LEU A 49 20.001 -13.918 -0.383 1.00 34.14 H new ATOM 0 HD22 LEU A 49 18.305 -13.379 -0.400 1.00 34.14 H new ATOM 0 HD23 LEU A 49 18.800 -14.726 0.653 1.00 34.14 H new ATOM 772 N GLU A 50 15.287 -17.445 -0.047 1.00 41.51 N ATOM 773 CA GLU A 50 13.992 -17.823 0.507 1.00 44.20 C ATOM 774 C GLU A 50 13.709 -17.060 1.798 1.00 41.32 C ATOM 775 O GLU A 50 14.630 -16.659 2.510 1.00 52.31 O ATOM 776 CB GLU A 50 13.946 -19.329 0.772 1.00 63.15 C ATOM 777 CG GLU A 50 13.297 -20.124 -0.349 1.00 22.32 C ATOM 778 CD GLU A 50 12.024 -20.820 0.092 1.00 61.43 C ATOM 779 OE1 GLU A 50 12.089 -21.631 1.040 1.00 45.13 O ATOM 780 OE2 GLU A 50 10.963 -20.555 -0.511 1.00 62.31 O ATOM 0 H GLU A 50 15.948 -17.079 0.638 1.00 41.51 H new ATOM 0 HA GLU A 50 13.224 -17.566 -0.223 1.00 44.20 H new ATOM 0 HB2 GLU A 50 14.962 -19.694 0.924 1.00 63.15 H new ATOM 0 HB3 GLU A 50 13.400 -19.510 1.698 1.00 63.15 H new ATOM 0 HG2 GLU A 50 13.072 -19.456 -1.180 1.00 22.32 H new ATOM 0 HG3 GLU A 50 14.004 -20.867 -0.719 1.00 22.32 H new ATOM 787 N VAL A 51 12.428 -16.862 2.093 1.00 61.14 N ATOM 788 CA VAL A 51 12.022 -16.148 3.297 1.00 1.01 C ATOM 789 C VAL A 51 11.655 -17.119 4.414 1.00 1.40 C ATOM 790 O VAL A 51 11.037 -18.154 4.172 1.00 62.43 O ATOM 791 CB VAL A 51 10.823 -15.221 3.023 1.00 60.02 C ATOM 792 CG1 VAL A 51 9.718 -15.977 2.301 1.00 12.21 C ATOM 793 CG2 VAL A 51 10.308 -14.618 4.321 1.00 21.31 C ATOM 0 H VAL A 51 11.653 -17.186 1.514 1.00 61.14 H new ATOM 0 HA VAL A 51 12.874 -15.544 3.609 1.00 1.01 H new ATOM 0 HB VAL A 51 11.155 -14.407 2.378 1.00 60.02 H new ATOM 0 HG11 VAL A 51 8.879 -15.306 2.116 1.00 12.21 H new ATOM 0 HG12 VAL A 51 10.096 -16.355 1.351 1.00 12.21 H new ATOM 0 HG13 VAL A 51 9.385 -16.812 2.918 1.00 12.21 H new ATOM 0 HG21 VAL A 51 9.461 -13.966 4.108 1.00 21.31 H new ATOM 0 HG22 VAL A 51 9.992 -15.416 4.993 1.00 21.31 H new ATOM 0 HG23 VAL A 51 11.102 -14.039 4.793 1.00 21.31 H new ATOM 803 N ASN A 52 12.040 -16.775 5.639 1.00 32.20 N ATOM 804 CA ASN A 52 11.751 -17.617 6.795 1.00 51.52 C ATOM 805 C ASN A 52 10.682 -16.980 7.677 1.00 14.14 C ATOM 806 O ASN A 52 10.881 -15.897 8.230 1.00 30.43 O ATOM 807 CB ASN A 52 13.024 -17.855 7.609 1.00 62.42 C ATOM 808 CG ASN A 52 13.189 -19.308 8.011 1.00 31.25 C ATOM 809 OD1 ASN A 52 12.108 -19.917 8.484 1.00 4.14 O flip ATOM 810 ND2 ASN A 52 14.275 -19.876 7.898 1.00 34.14 N flip ATOM 0 H ASN A 52 12.552 -15.920 5.857 1.00 32.20 H new ATOM 0 HA ASN A 52 11.375 -18.574 6.432 1.00 51.52 H new ATOM 0 HB2 ASN A 52 13.889 -17.542 7.025 1.00 62.42 H new ATOM 0 HB3 ASN A 52 13.001 -17.233 8.504 1.00 62.42 H new ATOM 0 HD21 ASN A 52 15.080 -19.369 7.529 1.00 34.14 H new ATOM 0 HD22 ASN A 52 14.370 -20.854 8.173 1.00 34.14 H new ATOM 817 N LEU A 53 9.547 -17.659 7.806 1.00 41.15 N ATOM 818 CA LEU A 53 8.445 -17.161 8.622 1.00 43.22 C ATOM 819 C LEU A 53 8.863 -17.037 10.084 1.00 63.15 C ATOM 820 O LEU A 53 8.191 -16.379 10.877 1.00 42.21 O ATOM 821 CB LEU A 53 7.236 -18.089 8.502 1.00 34.42 C ATOM 822 CG LEU A 53 6.912 -18.592 7.095 1.00 61.31 C ATOM 823 CD1 LEU A 53 7.224 -20.076 6.973 1.00 3.33 C ATOM 824 CD2 LEU A 53 5.454 -18.323 6.754 1.00 14.34 C ATOM 0 H LEU A 53 9.366 -18.556 7.356 1.00 41.15 H new ATOM 0 HA LEU A 53 8.173 -16.171 8.256 1.00 43.22 H new ATOM 0 HB2 LEU A 53 7.401 -18.953 9.146 1.00 34.42 H new ATOM 0 HB3 LEU A 53 6.362 -17.566 8.889 1.00 34.42 H new ATOM 0 HG LEU A 53 7.536 -18.050 6.385 1.00 61.31 H new ATOM 0 HD11 LEU A 53 6.987 -20.416 5.965 1.00 3.33 H new ATOM 0 HD12 LEU A 53 8.282 -20.243 7.173 1.00 3.33 H new ATOM 0 HD13 LEU A 53 6.626 -20.634 7.694 1.00 3.33 H new ATOM 0 HD21 LEU A 53 5.242 -18.688 5.749 1.00 14.34 H new ATOM 0 HD22 LEU A 53 4.812 -18.837 7.469 1.00 14.34 H new ATOM 0 HD23 LEU A 53 5.262 -17.251 6.799 1.00 14.34 H new ATOM 836 N GLN A 54 9.978 -17.673 10.431 1.00 53.41 N ATOM 837 CA GLN A 54 10.486 -17.632 11.797 1.00 14.10 C ATOM 838 C GLN A 54 10.591 -16.195 12.296 1.00 45.52 C ATOM 839 O GLN A 54 10.141 -15.874 13.395 1.00 61.03 O ATOM 840 CB GLN A 54 11.853 -18.314 11.876 1.00 54.31 C ATOM 841 CG GLN A 54 11.878 -19.521 12.799 1.00 1.13 C ATOM 842 CD GLN A 54 11.868 -20.835 12.043 1.00 45.42 C ATOM 843 OE1 GLN A 54 12.546 -20.983 11.025 1.00 20.45 O ATOM 844 NE2 GLN A 54 11.098 -21.797 12.537 1.00 43.02 N ATOM 0 H GLN A 54 10.546 -18.222 9.786 1.00 53.41 H new ATOM 0 HA GLN A 54 9.784 -18.168 12.435 1.00 14.10 H new ATOM 0 HB2 GLN A 54 12.153 -18.626 10.875 1.00 54.31 H new ATOM 0 HB3 GLN A 54 12.592 -17.590 12.219 1.00 54.31 H new ATOM 0 HG2 GLN A 54 12.768 -19.475 13.427 1.00 1.13 H new ATOM 0 HG3 GLN A 54 11.015 -19.483 13.464 1.00 1.13 H new ATOM 0 HE21 GLN A 54 10.553 -21.630 13.383 1.00 43.02 H new ATOM 0 HE22 GLN A 54 11.051 -22.703 12.071 1.00 43.02 H new ATOM 853 N ASN A 55 11.190 -15.333 11.480 1.00 5.01 N ATOM 854 CA ASN A 55 11.356 -13.929 11.839 1.00 24.22 C ATOM 855 C ASN A 55 11.196 -13.032 10.616 1.00 71.02 C ATOM 856 O ASN A 55 11.665 -11.895 10.601 1.00 13.31 O ATOM 857 CB ASN A 55 12.730 -13.703 12.475 1.00 54.20 C ATOM 858 CG ASN A 55 12.642 -12.948 13.787 1.00 33.14 C ATOM 859 OD1 ASN A 55 12.220 -13.497 14.805 1.00 31.52 O ATOM 860 ND2 ASN A 55 13.041 -11.682 13.769 1.00 13.42 N ATOM 0 H ASN A 55 11.568 -15.582 10.566 1.00 5.01 H new ATOM 0 HA ASN A 55 10.581 -13.670 12.561 1.00 24.22 H new ATOM 0 HB2 ASN A 55 13.212 -14.666 12.645 1.00 54.20 H new ATOM 0 HB3 ASN A 55 13.362 -13.148 11.781 1.00 54.20 H new ATOM 0 HD21 ASN A 55 13.005 -11.124 14.622 1.00 13.42 H new ATOM 0 HD22 ASN A 55 13.384 -11.268 12.902 1.00 13.42 H new ATOM 867 N GLY A 56 10.529 -13.553 9.590 1.00 12.41 N ATOM 868 CA GLY A 56 10.318 -12.786 8.376 1.00 13.44 C ATOM 869 C GLY A 56 11.616 -12.293 7.769 1.00 41.04 C ATOM 870 O GLY A 56 11.621 -11.342 6.987 1.00 44.51 O ATOM 0 H GLY A 56 10.131 -14.492 9.578 1.00 12.41 H new ATOM 0 HA2 GLY A 56 9.791 -13.402 7.648 1.00 13.44 H new ATOM 0 HA3 GLY A 56 9.676 -11.933 8.596 1.00 13.44 H new ATOM 874 N ILE A 57 12.719 -12.940 8.129 1.00 21.11 N ATOM 875 CA ILE A 57 14.029 -12.561 7.614 1.00 21.31 C ATOM 876 C ILE A 57 14.355 -13.317 6.330 1.00 34.13 C ATOM 877 O ILE A 57 13.967 -14.474 6.163 1.00 61.33 O ATOM 878 CB ILE A 57 15.139 -12.827 8.648 1.00 31.04 C ATOM 879 CG1 ILE A 57 15.089 -11.780 9.763 1.00 41.33 C ATOM 880 CG2 ILE A 57 16.503 -12.826 7.974 1.00 74.41 C ATOM 881 CD1 ILE A 57 15.279 -10.363 9.269 1.00 53.52 C ATOM 0 H ILE A 57 12.732 -13.729 8.775 1.00 21.11 H new ATOM 0 HA ILE A 57 13.988 -11.492 7.404 1.00 21.31 H new ATOM 0 HB ILE A 57 14.975 -13.810 9.090 1.00 31.04 H new ATOM 0 HG12 ILE A 57 14.130 -11.852 10.276 1.00 41.33 H new ATOM 0 HG13 ILE A 57 15.861 -12.007 10.498 1.00 41.33 H new ATOM 0 HG21 ILE A 57 17.277 -13.015 8.718 1.00 74.41 H new ATOM 0 HG22 ILE A 57 16.533 -13.605 7.213 1.00 74.41 H new ATOM 0 HG23 ILE A 57 16.678 -11.856 7.508 1.00 74.41 H new ATOM 0 HD11 ILE A 57 15.232 -9.674 10.112 1.00 53.52 H new ATOM 0 HD12 ILE A 57 16.250 -10.275 8.782 1.00 53.52 H new ATOM 0 HD13 ILE A 57 14.492 -10.118 8.556 1.00 53.52 H new ATOM 893 N LEU A 58 15.070 -12.657 5.427 1.00 42.52 N ATOM 894 CA LEU A 58 15.451 -13.266 4.157 1.00 34.33 C ATOM 895 C LEU A 58 16.833 -13.904 4.252 1.00 41.41 C ATOM 896 O LEU A 58 17.827 -13.222 4.505 1.00 15.22 O ATOM 897 CB LEU A 58 15.434 -12.220 3.041 1.00 30.23 C ATOM 898 CG LEU A 58 14.888 -12.687 1.692 1.00 74.23 C ATOM 899 CD1 LEU A 58 15.747 -13.807 1.126 1.00 4.13 C ATOM 900 CD2 LEU A 58 13.441 -13.141 1.830 1.00 45.52 C ATOM 0 H LEU A 58 15.398 -11.699 5.550 1.00 42.52 H new ATOM 0 HA LEU A 58 14.726 -14.047 3.925 1.00 34.33 H new ATOM 0 HB2 LEU A 58 14.840 -11.370 3.376 1.00 30.23 H new ATOM 0 HB3 LEU A 58 16.452 -11.859 2.893 1.00 30.23 H new ATOM 0 HG LEU A 58 14.920 -11.846 0.999 1.00 74.23 H new ATOM 0 HD11 LEU A 58 15.342 -14.126 0.166 1.00 4.13 H new ATOM 0 HD12 LEU A 58 16.767 -13.449 0.989 1.00 4.13 H new ATOM 0 HD13 LEU A 58 15.748 -14.650 1.817 1.00 4.13 H new ATOM 0 HD21 LEU A 58 13.069 -13.470 0.860 1.00 45.52 H new ATOM 0 HD22 LEU A 58 13.385 -13.967 2.539 1.00 45.52 H new ATOM 0 HD23 LEU A 58 12.832 -12.312 2.190 1.00 45.52 H new ATOM 912 N PHE A 59 16.890 -15.215 4.045 1.00 71.02 N ATOM 913 CA PHE A 59 18.151 -15.945 4.105 1.00 10.34 C ATOM 914 C PHE A 59 18.603 -16.367 2.710 1.00 12.43 C ATOM 915 O PHE A 59 17.828 -16.323 1.755 1.00 40.43 O ATOM 916 CB PHE A 59 18.009 -17.176 5.002 1.00 23.41 C ATOM 917 CG PHE A 59 16.896 -18.095 4.587 1.00 14.14 C ATOM 918 CD1 PHE A 59 15.607 -17.899 5.058 1.00 61.21 C ATOM 919 CD2 PHE A 59 17.137 -19.154 3.727 1.00 50.42 C ATOM 920 CE1 PHE A 59 14.581 -18.743 4.679 1.00 73.55 C ATOM 921 CE2 PHE A 59 16.114 -20.001 3.344 1.00 44.15 C ATOM 922 CZ PHE A 59 14.834 -19.795 3.819 1.00 4.23 C ATOM 0 H PHE A 59 16.077 -15.794 3.834 1.00 71.02 H new ATOM 0 HA PHE A 59 18.906 -15.282 4.526 1.00 10.34 H new ATOM 0 HB2 PHE A 59 18.948 -17.730 4.997 1.00 23.41 H new ATOM 0 HB3 PHE A 59 17.837 -16.850 6.028 1.00 23.41 H new ATOM 0 HD1 PHE A 59 15.403 -17.077 5.729 1.00 61.21 H new ATOM 0 HD2 PHE A 59 18.136 -19.320 3.351 1.00 50.42 H new ATOM 0 HE1 PHE A 59 13.582 -18.581 5.055 1.00 73.55 H new ATOM 0 HE2 PHE A 59 16.316 -20.823 2.674 1.00 44.15 H new ATOM 0 HZ PHE A 59 14.033 -20.454 3.519 1.00 4.23 H new ATOM 932 N VAL A 60 19.863 -16.775 2.601 1.00 21.03 N ATOM 933 CA VAL A 60 20.419 -17.206 1.324 1.00 4.42 C ATOM 934 C VAL A 60 19.991 -18.630 0.990 1.00 14.12 C ATOM 935 O VAL A 60 19.874 -19.477 1.874 1.00 22.34 O ATOM 936 CB VAL A 60 21.958 -17.132 1.329 1.00 71.12 C ATOM 937 CG1 VAL A 60 22.521 -17.641 0.011 1.00 51.14 C ATOM 938 CG2 VAL A 60 22.422 -15.710 1.603 1.00 41.54 C ATOM 0 H VAL A 60 20.518 -16.816 3.382 1.00 21.03 H new ATOM 0 HA VAL A 60 20.032 -16.526 0.565 1.00 4.42 H new ATOM 0 HB VAL A 60 22.333 -17.772 2.128 1.00 71.12 H new ATOM 0 HG11 VAL A 60 23.609 -17.581 0.033 1.00 51.14 H new ATOM 0 HG12 VAL A 60 22.217 -18.677 -0.138 1.00 51.14 H new ATOM 0 HG13 VAL A 60 22.140 -17.030 -0.807 1.00 51.14 H new ATOM 0 HG21 VAL A 60 23.511 -15.676 1.603 1.00 41.54 H new ATOM 0 HG22 VAL A 60 22.038 -15.046 0.828 1.00 41.54 H new ATOM 0 HG23 VAL A 60 22.049 -15.386 2.575 1.00 41.54 H new ATOM 948 N ASN A 61 19.757 -18.886 -0.293 1.00 23.31 N ATOM 949 CA ASN A 61 19.341 -20.209 -0.745 1.00 21.14 C ATOM 950 C ASN A 61 19.885 -20.504 -2.139 1.00 53.44 C ATOM 951 O ASN A 61 19.187 -21.067 -2.983 1.00 21.15 O ATOM 952 CB ASN A 61 17.815 -20.313 -0.748 1.00 14.14 C ATOM 953 CG ASN A 61 17.333 -21.751 -0.746 1.00 51.11 C ATOM 954 OD1 ASN A 61 16.955 -22.292 -1.785 1.00 54.44 O ATOM 955 ND2 ASN A 61 17.345 -22.377 0.425 1.00 73.32 N ATOM 0 H ASN A 61 19.848 -18.195 -1.038 1.00 23.31 H new ATOM 0 HA ASN A 61 19.747 -20.946 -0.053 1.00 21.14 H new ATOM 0 HB2 ASN A 61 17.417 -19.798 0.126 1.00 14.14 H new ATOM 0 HB3 ASN A 61 17.421 -19.802 -1.626 1.00 14.14 H new ATOM 0 HD21 ASN A 61 17.032 -23.346 0.489 1.00 73.32 H new ATOM 0 HD22 ASN A 61 17.667 -21.889 1.261 1.00 73.32 H new ATOM 962 N SER A 62 21.135 -20.119 -2.375 1.00 0.33 N ATOM 963 CA SER A 62 21.772 -20.338 -3.668 1.00 31.30 C ATOM 964 C SER A 62 23.265 -20.035 -3.597 1.00 24.15 C ATOM 965 O SER A 62 23.821 -19.849 -2.514 1.00 21.12 O ATOM 966 CB SER A 62 21.114 -19.466 -4.739 1.00 73.40 C ATOM 967 OG SER A 62 21.302 -20.017 -6.031 1.00 41.42 O ATOM 0 H SER A 62 21.727 -19.654 -1.687 1.00 0.33 H new ATOM 0 HA SER A 62 21.644 -21.387 -3.934 1.00 31.30 H new ATOM 0 HB2 SER A 62 20.048 -19.372 -4.532 1.00 73.40 H new ATOM 0 HB3 SER A 62 21.535 -18.461 -4.704 1.00 73.40 H new ATOM 0 HG SER A 62 20.430 -20.213 -6.433 1.00 41.42 H new ATOM 973 N ARG A 63 23.909 -19.987 -4.758 1.00 63.21 N ATOM 974 CA ARG A 63 25.338 -19.708 -4.829 1.00 25.05 C ATOM 975 C ARG A 63 25.601 -18.205 -4.806 1.00 54.02 C ATOM 976 O ARG A 63 25.201 -17.482 -5.719 1.00 45.15 O ATOM 977 CB ARG A 63 25.938 -20.322 -6.095 1.00 30.31 C ATOM 978 CG ARG A 63 25.405 -21.710 -6.410 1.00 35.31 C ATOM 979 CD ARG A 63 24.426 -21.680 -7.574 1.00 21.14 C ATOM 980 NE ARG A 63 25.056 -22.079 -8.829 1.00 64.11 N ATOM 981 CZ ARG A 63 24.401 -22.181 -9.980 1.00 64.23 C ATOM 982 NH1 ARG A 63 23.104 -21.914 -10.034 1.00 72.55 N ATOM 983 NH2 ARG A 63 25.045 -22.550 -11.081 1.00 32.24 N ATOM 0 H ARG A 63 23.464 -20.138 -5.663 1.00 63.21 H new ATOM 0 HA ARG A 63 25.813 -20.156 -3.956 1.00 25.05 H new ATOM 0 HB2 ARG A 63 25.735 -19.664 -6.940 1.00 30.31 H new ATOM 0 HB3 ARG A 63 27.021 -20.374 -5.985 1.00 30.31 H new ATOM 0 HG2 ARG A 63 26.236 -22.374 -6.649 1.00 35.31 H new ATOM 0 HG3 ARG A 63 24.912 -22.120 -5.529 1.00 35.31 H new ATOM 0 HD2 ARG A 63 23.589 -22.345 -7.361 1.00 21.14 H new ATOM 0 HD3 ARG A 63 24.016 -20.675 -7.677 1.00 21.14 H new ATOM 0 HE ARG A 63 26.054 -22.291 -8.822 1.00 64.11 H new ATOM 0 HH11 ARG A 63 22.606 -21.629 -9.190 1.00 72.55 H new ATOM 0 HH12 ARG A 63 22.603 -21.993 -10.919 1.00 72.55 H new ATOM 0 HH21 ARG A 63 26.043 -22.755 -11.043 1.00 32.24 H new ATOM 0 HH22 ARG A 63 24.541 -22.628 -11.965 1.00 32.24 H new ATOM 997 N ILE A 64 26.273 -17.742 -3.758 1.00 31.54 N ATOM 998 CA ILE A 64 26.588 -16.326 -3.617 1.00 64.42 C ATOM 999 C ILE A 64 28.076 -16.071 -3.832 1.00 42.35 C ATOM 1000 O ILE A 64 28.493 -14.938 -4.074 1.00 43.12 O ATOM 1001 CB ILE A 64 26.183 -15.794 -2.230 1.00 20.10 C ATOM 1002 CG1 ILE A 64 24.753 -16.221 -1.894 1.00 55.40 C ATOM 1003 CG2 ILE A 64 26.314 -14.279 -2.185 1.00 23.11 C ATOM 1004 CD1 ILE A 64 23.732 -15.769 -2.915 1.00 71.43 C ATOM 0 H ILE A 64 26.610 -18.327 -2.994 1.00 31.54 H new ATOM 0 HA ILE A 64 26.016 -15.798 -4.380 1.00 64.42 H new ATOM 0 HB ILE A 64 26.854 -16.219 -1.484 1.00 20.10 H new ATOM 0 HG12 ILE A 64 24.717 -17.307 -1.812 1.00 55.40 H new ATOM 0 HG13 ILE A 64 24.482 -15.818 -0.918 1.00 55.40 H new ATOM 0 HG21 ILE A 64 26.024 -13.918 -1.198 1.00 23.11 H new ATOM 0 HG22 ILE A 64 27.348 -13.997 -2.385 1.00 23.11 H new ATOM 0 HG23 ILE A 64 25.664 -13.835 -2.939 1.00 23.11 H new ATOM 0 HD11 ILE A 64 22.741 -16.107 -2.613 1.00 71.43 H new ATOM 0 HD12 ILE A 64 23.740 -14.681 -2.981 1.00 71.43 H new ATOM 0 HD13 ILE A 64 23.978 -16.193 -3.888 1.00 71.43 H new ATOM 1016 N ASP A 65 28.872 -17.131 -3.745 1.00 13.02 N ATOM 1017 CA ASP A 65 30.314 -17.023 -3.933 1.00 53.41 C ATOM 1018 C ASP A 65 30.639 -16.190 -5.169 1.00 43.11 C ATOM 1019 O ASP A 65 29.945 -16.267 -6.183 1.00 34.45 O ATOM 1020 CB ASP A 65 30.939 -18.413 -4.060 1.00 52.33 C ATOM 1021 CG ASP A 65 32.454 -18.368 -4.065 1.00 42.25 C ATOM 1022 OD1 ASP A 65 33.023 -17.460 -3.424 1.00 5.12 O ATOM 1023 OD2 ASP A 65 33.071 -19.241 -4.710 1.00 60.05 O ATOM 0 H ASP A 65 28.543 -18.076 -3.545 1.00 13.02 H new ATOM 0 HA ASP A 65 30.734 -16.524 -3.060 1.00 53.41 H new ATOM 0 HB2 ASP A 65 30.600 -19.038 -3.234 1.00 52.33 H new ATOM 0 HB3 ASP A 65 30.589 -18.883 -4.979 1.00 52.33 H new ATOM 1028 N ARG A 66 31.699 -15.393 -5.077 1.00 61.23 N ATOM 1029 CA ARG A 66 32.115 -14.544 -6.187 1.00 62.32 C ATOM 1030 C ARG A 66 32.374 -15.376 -7.440 1.00 41.32 C ATOM 1031 O ARG A 66 32.297 -14.869 -8.559 1.00 21.21 O ATOM 1032 CB ARG A 66 33.374 -13.760 -5.813 1.00 64.32 C ATOM 1033 CG ARG A 66 33.180 -12.822 -4.633 1.00 53.14 C ATOM 1034 CD ARG A 66 33.979 -13.276 -3.422 1.00 61.43 C ATOM 1035 NE ARG A 66 34.403 -12.152 -2.593 1.00 11.33 N ATOM 1036 CZ ARG A 66 35.464 -11.399 -2.861 1.00 24.50 C ATOM 1037 NH1 ARG A 66 36.206 -11.651 -3.931 1.00 54.42 N ATOM 1038 NH2 ARG A 66 35.786 -10.393 -2.058 1.00 70.21 N ATOM 0 H ARG A 66 32.285 -15.318 -4.246 1.00 61.23 H new ATOM 0 HA ARG A 66 31.308 -13.843 -6.398 1.00 62.32 H new ATOM 0 HB2 ARG A 66 34.174 -14.463 -5.580 1.00 64.32 H new ATOM 0 HB3 ARG A 66 33.701 -13.181 -6.677 1.00 64.32 H new ATOM 0 HG2 ARG A 66 33.485 -11.814 -4.914 1.00 53.14 H new ATOM 0 HG3 ARG A 66 32.122 -12.774 -4.375 1.00 53.14 H new ATOM 0 HD2 ARG A 66 33.375 -13.959 -2.825 1.00 61.43 H new ATOM 0 HD3 ARG A 66 34.856 -13.832 -3.754 1.00 61.43 H new ATOM 0 HE ARG A 66 33.854 -11.933 -1.762 1.00 11.33 H new ATOM 0 HH11 ARG A 66 35.962 -12.424 -4.550 1.00 54.42 H new ATOM 0 HH12 ARG A 66 37.020 -11.072 -4.135 1.00 54.42 H new ATOM 0 HH21 ARG A 66 35.219 -10.197 -1.233 1.00 70.21 H new ATOM 0 HH22 ARG A 66 36.601 -9.816 -2.265 1.00 70.21 H new ATOM 1052 N GLU A 67 32.682 -16.654 -7.243 1.00 55.11 N ATOM 1053 CA GLU A 67 32.953 -17.554 -8.358 1.00 21.24 C ATOM 1054 C GLU A 67 31.660 -17.947 -9.067 1.00 23.53 C ATOM 1055 O GLU A 67 31.608 -18.006 -10.295 1.00 32.33 O ATOM 1056 CB GLU A 67 33.679 -18.808 -7.864 1.00 53.24 C ATOM 1057 CG GLU A 67 34.884 -19.185 -8.709 1.00 70.41 C ATOM 1058 CD GLU A 67 35.621 -20.394 -8.166 1.00 60.45 C ATOM 1059 OE1 GLU A 67 35.104 -21.521 -8.315 1.00 32.12 O ATOM 1060 OE2 GLU A 67 36.716 -20.213 -7.593 1.00 52.04 O ATOM 0 H GLU A 67 32.750 -17.089 -6.323 1.00 55.11 H new ATOM 0 HA GLU A 67 33.591 -17.029 -9.069 1.00 21.24 H new ATOM 0 HB2 GLU A 67 34.002 -18.649 -6.835 1.00 53.24 H new ATOM 0 HB3 GLU A 67 32.978 -19.643 -7.852 1.00 53.24 H new ATOM 0 HG2 GLU A 67 34.558 -19.390 -9.729 1.00 70.41 H new ATOM 0 HG3 GLU A 67 35.569 -18.338 -8.757 1.00 70.41 H new ATOM 1067 N GLU A 68 30.620 -18.216 -8.283 1.00 45.02 N ATOM 1068 CA GLU A 68 29.329 -18.605 -8.836 1.00 74.23 C ATOM 1069 C GLU A 68 28.531 -17.379 -9.270 1.00 13.20 C ATOM 1070 O GLU A 68 28.125 -17.265 -10.428 1.00 23.24 O ATOM 1071 CB GLU A 68 28.530 -19.409 -7.808 1.00 61.21 C ATOM 1072 CG GLU A 68 28.739 -20.911 -7.914 1.00 2.51 C ATOM 1073 CD GLU A 68 30.190 -21.282 -8.152 1.00 71.02 C ATOM 1074 OE1 GLU A 68 30.611 -21.303 -9.328 1.00 11.00 O ATOM 1075 OE2 GLU A 68 30.904 -21.552 -7.164 1.00 51.01 O ATOM 0 H GLU A 68 30.647 -18.172 -7.264 1.00 45.02 H new ATOM 0 HA GLU A 68 29.511 -19.228 -9.712 1.00 74.23 H new ATOM 0 HB2 GLU A 68 28.809 -19.082 -6.807 1.00 61.21 H new ATOM 0 HB3 GLU A 68 27.470 -19.189 -7.931 1.00 61.21 H new ATOM 0 HG2 GLU A 68 28.391 -21.388 -6.998 1.00 2.51 H new ATOM 0 HG3 GLU A 68 28.129 -21.302 -8.728 1.00 2.51 H new ATOM 1082 N LEU A 69 28.308 -16.464 -8.333 1.00 44.52 N ATOM 1083 CA LEU A 69 27.559 -15.245 -8.617 1.00 55.20 C ATOM 1084 C LEU A 69 28.095 -14.554 -9.867 1.00 11.14 C ATOM 1085 O LEU A 69 27.477 -14.605 -10.931 1.00 3.12 O ATOM 1086 CB LEU A 69 27.627 -14.291 -7.423 1.00 44.55 C ATOM 1087 CG LEU A 69 26.319 -14.071 -6.663 1.00 51.24 C ATOM 1088 CD1 LEU A 69 26.510 -13.044 -5.558 1.00 54.31 C ATOM 1089 CD2 LEU A 69 25.216 -13.633 -7.616 1.00 32.30 C ATOM 0 H LEU A 69 28.635 -16.543 -7.370 1.00 44.52 H new ATOM 0 HA LEU A 69 26.519 -15.520 -8.795 1.00 55.20 H new ATOM 0 HB2 LEU A 69 28.371 -14.670 -6.723 1.00 44.55 H new ATOM 0 HB3 LEU A 69 27.985 -13.324 -7.776 1.00 44.55 H new ATOM 0 HG LEU A 69 26.023 -15.015 -6.206 1.00 51.24 H new ATOM 0 HD11 LEU A 69 25.568 -12.900 -5.028 1.00 54.31 H new ATOM 0 HD12 LEU A 69 27.269 -13.397 -4.860 1.00 54.31 H new ATOM 0 HD13 LEU A 69 26.830 -12.097 -5.993 1.00 54.31 H new ATOM 0 HD21 LEU A 69 24.292 -13.481 -7.058 1.00 32.30 H new ATOM 0 HD22 LEU A 69 25.504 -12.701 -8.102 1.00 32.30 H new ATOM 0 HD23 LEU A 69 25.061 -14.403 -8.372 1.00 32.30 H new ATOM 1101 N CYS A 70 29.249 -13.910 -9.731 1.00 2.20 N ATOM 1102 CA CYS A 70 29.871 -13.210 -10.849 1.00 12.25 C ATOM 1103 C CYS A 70 31.352 -12.959 -10.578 1.00 35.35 C ATOM 1104 O CYS A 70 32.209 -13.306 -11.388 1.00 63.32 O ATOM 1105 CB CYS A 70 29.156 -11.882 -11.107 1.00 4.24 C ATOM 1106 SG CYS A 70 28.548 -11.059 -9.599 1.00 62.51 S ATOM 0 H CYS A 70 29.773 -13.858 -8.857 1.00 2.20 H new ATOM 0 HA CYS A 70 29.784 -13.840 -11.734 1.00 12.25 H new ATOM 0 HB2 CYS A 70 29.839 -11.209 -11.625 1.00 4.24 H new ATOM 0 HB3 CYS A 70 28.314 -12.059 -11.776 1.00 4.24 H new ATOM 1111 N GLY A 71 31.643 -12.354 -9.430 1.00 44.33 N ATOM 1112 CA GLY A 71 33.020 -12.067 -9.072 1.00 63.02 C ATOM 1113 C GLY A 71 33.586 -10.889 -9.841 1.00 30.33 C ATOM 1114 O GLY A 71 33.878 -9.843 -9.260 1.00 71.45 O ATOM 0 H GLY A 71 30.950 -12.058 -8.742 1.00 44.33 H new ATOM 0 HA2 GLY A 71 33.079 -11.861 -8.003 1.00 63.02 H new ATOM 0 HA3 GLY A 71 33.633 -12.949 -9.261 1.00 63.02 H new ATOM 1118 N ARG A 72 33.743 -11.059 -11.149 1.00 71.14 N ATOM 1119 CA ARG A 72 34.280 -10.002 -11.998 1.00 24.31 C ATOM 1120 C ARG A 72 33.542 -8.688 -11.763 1.00 12.10 C ATOM 1121 O ARG A 72 34.096 -7.746 -11.197 1.00 52.52 O ATOM 1122 CB ARG A 72 34.178 -10.401 -13.471 1.00 45.34 C ATOM 1123 CG ARG A 72 34.928 -11.679 -13.810 1.00 1.20 C ATOM 1124 CD ARG A 72 36.428 -11.440 -13.892 1.00 74.12 C ATOM 1125 NE ARG A 72 37.174 -12.688 -14.029 1.00 51.03 N ATOM 1126 CZ ARG A 72 38.452 -12.744 -14.386 1.00 61.41 C ATOM 1127 NH1 ARG A 72 39.123 -11.629 -14.640 1.00 31.30 N ATOM 1128 NH2 ARG A 72 39.062 -13.918 -14.489 1.00 62.22 N ATOM 0 H ARG A 72 33.506 -11.919 -11.644 1.00 71.14 H new ATOM 0 HA ARG A 72 35.329 -9.860 -11.739 1.00 24.31 H new ATOM 0 HB2 ARG A 72 33.127 -10.526 -13.733 1.00 45.34 H new ATOM 0 HB3 ARG A 72 34.565 -9.589 -14.086 1.00 45.34 H new ATOM 0 HG2 ARG A 72 34.720 -12.436 -13.054 1.00 1.20 H new ATOM 0 HG3 ARG A 72 34.569 -12.072 -14.761 1.00 1.20 H new ATOM 0 HD2 ARG A 72 36.646 -10.792 -14.741 1.00 74.12 H new ATOM 0 HD3 ARG A 72 36.761 -10.915 -12.997 1.00 74.12 H new ATOM 0 HE ARG A 72 36.687 -13.564 -13.840 1.00 51.03 H new ATOM 0 HH11 ARG A 72 38.658 -10.725 -14.561 1.00 31.30 H new ATOM 0 HH12 ARG A 72 40.104 -11.676 -14.914 1.00 31.30 H new ATOM 0 HH21 ARG A 72 38.549 -14.778 -14.294 1.00 62.22 H new ATOM 0 HH22 ARG A 72 40.044 -13.960 -14.763 1.00 62.22 H new ATOM 1142 N SER A 73 32.288 -8.633 -12.202 1.00 44.31 N ATOM 1143 CA SER A 73 31.475 -7.433 -12.044 1.00 1.23 C ATOM 1144 C SER A 73 31.481 -6.960 -10.593 1.00 44.22 C ATOM 1145 O SER A 73 30.835 -7.556 -9.732 1.00 2.41 O ATOM 1146 CB SER A 73 30.039 -7.701 -12.498 1.00 42.34 C ATOM 1147 OG SER A 73 29.714 -6.929 -13.642 1.00 21.31 O ATOM 0 H SER A 73 31.814 -9.405 -12.670 1.00 44.31 H new ATOM 0 HA SER A 73 31.905 -6.648 -12.666 1.00 1.23 H new ATOM 0 HB2 SER A 73 29.917 -8.760 -12.724 1.00 42.34 H new ATOM 0 HB3 SER A 73 29.348 -7.466 -11.688 1.00 42.34 H new ATOM 0 HG SER A 73 28.792 -7.119 -13.914 1.00 21.31 H new ATOM 1153 N ALA A 74 32.217 -5.884 -10.331 1.00 72.24 N ATOM 1154 CA ALA A 74 32.306 -5.329 -8.987 1.00 4.03 C ATOM 1155 C ALA A 74 30.920 -5.111 -8.389 1.00 65.12 C ATOM 1156 O ALA A 74 30.669 -5.464 -7.238 1.00 21.34 O ATOM 1157 CB ALA A 74 33.086 -4.023 -9.006 1.00 3.30 C ATOM 0 H ALA A 74 32.760 -5.380 -11.032 1.00 72.24 H new ATOM 0 HA ALA A 74 32.835 -6.046 -8.359 1.00 4.03 H new ATOM 0 HB1 ALA A 74 33.145 -3.619 -7.995 1.00 3.30 H new ATOM 0 HB2 ALA A 74 34.092 -4.206 -9.383 1.00 3.30 H new ATOM 0 HB3 ALA A 74 32.581 -3.307 -9.654 1.00 3.30 H new ATOM 1163 N GLU A 75 30.025 -4.527 -9.180 1.00 5.34 N ATOM 1164 CA GLU A 75 28.665 -4.261 -8.726 1.00 43.33 C ATOM 1165 C GLU A 75 27.677 -5.223 -9.378 1.00 74.12 C ATOM 1166 O GLU A 75 27.350 -5.091 -10.558 1.00 62.12 O ATOM 1167 CB GLU A 75 28.272 -2.816 -9.043 1.00 32.33 C ATOM 1168 CG GLU A 75 28.589 -2.397 -10.468 1.00 63.33 C ATOM 1169 CD GLU A 75 27.498 -1.541 -11.082 1.00 22.45 C ATOM 1170 OE1 GLU A 75 26.519 -2.114 -11.604 1.00 61.22 O ATOM 1171 OE2 GLU A 75 27.623 -0.300 -11.039 1.00 40.32 O ATOM 0 H GLU A 75 30.217 -4.230 -10.137 1.00 5.34 H new ATOM 0 HA GLU A 75 28.633 -4.410 -7.647 1.00 43.33 H new ATOM 0 HB2 GLU A 75 27.204 -2.692 -8.866 1.00 32.33 H new ATOM 0 HB3 GLU A 75 28.789 -2.148 -8.354 1.00 32.33 H new ATOM 0 HG2 GLU A 75 29.529 -1.845 -10.480 1.00 63.33 H new ATOM 0 HG3 GLU A 75 28.735 -3.287 -11.080 1.00 63.33 H new ATOM 1178 N CYS A 76 27.204 -6.192 -8.602 1.00 34.04 N ATOM 1179 CA CYS A 76 26.253 -7.178 -9.101 1.00 63.24 C ATOM 1180 C CYS A 76 24.886 -6.994 -8.450 1.00 75.32 C ATOM 1181 O CYS A 76 24.766 -6.988 -7.225 1.00 54.41 O ATOM 1182 CB CYS A 76 26.770 -8.594 -8.838 1.00 34.12 C ATOM 1183 SG CYS A 76 27.460 -9.419 -10.308 1.00 24.23 S ATOM 0 H CYS A 76 27.464 -6.316 -7.624 1.00 34.04 H new ATOM 0 HA CYS A 76 26.146 -7.031 -10.176 1.00 63.24 H new ATOM 0 HB2 CYS A 76 27.537 -8.551 -8.065 1.00 34.12 H new ATOM 0 HB3 CYS A 76 25.954 -9.200 -8.444 1.00 34.12 H new ATOM 1188 N SER A 77 23.857 -6.846 -9.279 1.00 10.31 N ATOM 1189 CA SER A 77 22.498 -6.658 -8.785 1.00 30.25 C ATOM 1190 C SER A 77 21.646 -7.895 -9.055 1.00 41.40 C ATOM 1191 O SER A 77 21.798 -8.553 -10.084 1.00 70.23 O ATOM 1192 CB SER A 77 21.859 -5.432 -9.439 1.00 43.31 C ATOM 1193 OG SER A 77 22.830 -4.650 -10.114 1.00 72.41 O ATOM 0 H SER A 77 23.939 -6.853 -10.296 1.00 10.31 H new ATOM 0 HA SER A 77 22.548 -6.501 -7.708 1.00 30.25 H new ATOM 0 HB2 SER A 77 21.090 -5.751 -10.143 1.00 43.31 H new ATOM 0 HB3 SER A 77 21.364 -4.827 -8.679 1.00 43.31 H new ATOM 0 HG SER A 77 22.396 -3.873 -10.525 1.00 72.41 H new ATOM 1199 N ILE A 78 20.750 -8.203 -8.124 1.00 22.34 N ATOM 1200 CA ILE A 78 19.873 -9.359 -8.261 1.00 62.42 C ATOM 1201 C ILE A 78 18.409 -8.960 -8.108 1.00 25.41 C ATOM 1202 O ILE A 78 18.062 -8.151 -7.247 1.00 62.02 O ATOM 1203 CB ILE A 78 20.209 -10.447 -7.224 1.00 35.04 C ATOM 1204 CG1 ILE A 78 21.667 -10.888 -7.368 1.00 14.13 C ATOM 1205 CG2 ILE A 78 19.272 -11.636 -7.381 1.00 0.32 C ATOM 1206 CD1 ILE A 78 22.593 -10.252 -6.355 1.00 60.10 C ATOM 0 H ILE A 78 20.612 -7.668 -7.267 1.00 22.34 H new ATOM 0 HA ILE A 78 20.034 -9.761 -9.261 1.00 62.42 H new ATOM 0 HB ILE A 78 20.072 -10.031 -6.226 1.00 35.04 H new ATOM 0 HG12 ILE A 78 21.722 -11.972 -7.268 1.00 14.13 H new ATOM 0 HG13 ILE A 78 22.015 -10.642 -8.371 1.00 14.13 H new ATOM 0 HG21 ILE A 78 19.522 -12.396 -6.641 1.00 0.32 H new ATOM 0 HG22 ILE A 78 18.243 -11.310 -7.233 1.00 0.32 H new ATOM 0 HG23 ILE A 78 19.379 -12.054 -8.382 1.00 0.32 H new ATOM 0 HD11 ILE A 78 23.610 -10.610 -6.516 1.00 60.10 H new ATOM 0 HD12 ILE A 78 22.568 -9.168 -6.469 1.00 60.10 H new ATOM 0 HD13 ILE A 78 22.270 -10.519 -5.349 1.00 60.10 H new ATOM 1218 N HIS A 79 17.554 -9.535 -8.948 1.00 20.15 N ATOM 1219 CA HIS A 79 16.126 -9.241 -8.904 1.00 70.21 C ATOM 1220 C HIS A 79 15.329 -10.477 -8.496 1.00 3.44 C ATOM 1221 O HIS A 79 15.652 -11.596 -8.894 1.00 63.43 O ATOM 1222 CB HIS A 79 15.646 -8.738 -10.266 1.00 12.55 C ATOM 1223 CG HIS A 79 16.545 -7.705 -10.873 1.00 73.23 C ATOM 1224 ND1 HIS A 79 17.547 -8.013 -11.768 1.00 64.34 N ATOM 1225 CD2 HIS A 79 16.587 -6.362 -10.711 1.00 73.03 C ATOM 1226 CE1 HIS A 79 18.168 -6.905 -12.129 1.00 43.44 C ATOM 1227 NE2 HIS A 79 17.604 -5.888 -11.502 1.00 63.14 N ATOM 0 H HIS A 79 17.825 -10.206 -9.667 1.00 20.15 H new ATOM 0 HA HIS A 79 15.963 -8.463 -8.159 1.00 70.21 H new ATOM 0 HB2 HIS A 79 15.565 -9.584 -10.949 1.00 12.55 H new ATOM 0 HB3 HIS A 79 14.646 -8.319 -10.158 1.00 12.55 H new ATOM 0 HD2 HIS A 79 15.941 -5.773 -10.077 1.00 73.03 H new ATOM 0 HE1 HIS A 79 18.996 -6.841 -12.819 1.00 43.44 H new ATOM 0 HE2 HIS A 79 17.879 -4.910 -11.591 1.00 63.14 H new ATOM 1235 N LEU A 80 14.288 -10.266 -7.698 1.00 51.12 N ATOM 1236 CA LEU A 80 13.445 -11.363 -7.235 1.00 12.52 C ATOM 1237 C LEU A 80 11.988 -10.922 -7.128 1.00 63.23 C ATOM 1238 O LEU A 80 11.699 -9.736 -6.980 1.00 15.43 O ATOM 1239 CB LEU A 80 13.936 -11.872 -5.879 1.00 1.34 C ATOM 1240 CG LEU A 80 13.119 -13.001 -5.250 1.00 24.13 C ATOM 1241 CD1 LEU A 80 14.016 -13.916 -4.431 1.00 24.32 C ATOM 1242 CD2 LEU A 80 12.002 -12.434 -4.386 1.00 70.31 C ATOM 0 H LEU A 80 14.008 -9.346 -7.358 1.00 51.12 H new ATOM 0 HA LEU A 80 13.509 -12.171 -7.964 1.00 12.52 H new ATOM 0 HB2 LEU A 80 14.964 -12.215 -5.993 1.00 1.34 H new ATOM 0 HB3 LEU A 80 13.955 -11.033 -5.183 1.00 1.34 H new ATOM 0 HG LEU A 80 12.669 -13.588 -6.051 1.00 24.13 H new ATOM 0 HD11 LEU A 80 13.417 -14.714 -3.991 1.00 24.32 H new ATOM 0 HD12 LEU A 80 14.780 -14.350 -5.076 1.00 24.32 H new ATOM 0 HD13 LEU A 80 14.495 -13.342 -3.638 1.00 24.32 H new ATOM 0 HD21 LEU A 80 11.431 -13.252 -3.947 1.00 70.31 H new ATOM 0 HD22 LEU A 80 12.431 -11.823 -3.592 1.00 70.31 H new ATOM 0 HD23 LEU A 80 11.343 -11.820 -5.000 1.00 70.31 H new ATOM 1254 N GLU A 81 11.077 -11.887 -7.203 1.00 53.13 N ATOM 1255 CA GLU A 81 9.650 -11.598 -7.114 1.00 3.33 C ATOM 1256 C GLU A 81 8.968 -12.529 -6.116 1.00 70.20 C ATOM 1257 O GLU A 81 8.970 -13.748 -6.286 1.00 71.43 O ATOM 1258 CB GLU A 81 8.992 -11.734 -8.488 1.00 62.53 C ATOM 1259 CG GLU A 81 8.786 -10.407 -9.199 1.00 61.51 C ATOM 1260 CD GLU A 81 9.943 -10.048 -10.111 1.00 23.12 C ATOM 1261 OE1 GLU A 81 10.104 -10.714 -11.155 1.00 22.42 O ATOM 1262 OE2 GLU A 81 10.688 -9.102 -9.781 1.00 13.54 O ATOM 0 H GLU A 81 11.301 -12.875 -7.325 1.00 53.13 H new ATOM 0 HA GLU A 81 9.534 -10.572 -6.765 1.00 3.33 H new ATOM 0 HB2 GLU A 81 9.608 -12.380 -9.114 1.00 62.53 H new ATOM 0 HB3 GLU A 81 8.027 -12.228 -8.372 1.00 62.53 H new ATOM 0 HG2 GLU A 81 7.867 -10.451 -9.784 1.00 61.51 H new ATOM 0 HG3 GLU A 81 8.654 -9.619 -8.458 1.00 61.51 H new ATOM 1269 N VAL A 82 8.385 -11.946 -5.074 1.00 0.54 N ATOM 1270 CA VAL A 82 7.698 -12.722 -4.048 1.00 42.22 C ATOM 1271 C VAL A 82 6.218 -12.880 -4.378 1.00 22.10 C ATOM 1272 O VAL A 82 5.447 -11.924 -4.292 1.00 0.14 O ATOM 1273 CB VAL A 82 7.837 -12.066 -2.661 1.00 74.32 C ATOM 1274 CG1 VAL A 82 7.544 -13.076 -1.562 1.00 24.02 C ATOM 1275 CG2 VAL A 82 9.225 -11.468 -2.492 1.00 13.45 C ATOM 0 H VAL A 82 8.375 -10.938 -4.918 1.00 0.54 H new ATOM 0 HA VAL A 82 8.169 -13.705 -4.025 1.00 42.22 H new ATOM 0 HB VAL A 82 7.108 -11.260 -2.584 1.00 74.32 H new ATOM 0 HG11 VAL A 82 7.647 -12.595 -0.589 1.00 24.02 H new ATOM 0 HG12 VAL A 82 6.527 -13.452 -1.675 1.00 24.02 H new ATOM 0 HG13 VAL A 82 8.248 -13.905 -1.633 1.00 24.02 H new ATOM 0 HG21 VAL A 82 9.306 -11.009 -1.507 1.00 13.45 H new ATOM 0 HG22 VAL A 82 9.974 -12.254 -2.589 1.00 13.45 H new ATOM 0 HG23 VAL A 82 9.391 -10.712 -3.259 1.00 13.45 H new ATOM 1285 N ILE A 83 5.828 -14.093 -4.756 1.00 3.25 N ATOM 1286 CA ILE A 83 4.440 -14.377 -5.097 1.00 12.44 C ATOM 1287 C ILE A 83 3.598 -14.586 -3.843 1.00 34.51 C ATOM 1288 O ILE A 83 3.851 -15.500 -3.057 1.00 41.32 O ATOM 1289 CB ILE A 83 4.324 -15.623 -5.994 1.00 20.12 C ATOM 1290 CG1 ILE A 83 5.334 -15.549 -7.141 1.00 2.54 C ATOM 1291 CG2 ILE A 83 2.909 -15.756 -6.535 1.00 74.24 C ATOM 1292 CD1 ILE A 83 6.617 -16.302 -6.866 1.00 11.32 C ATOM 0 H ILE A 83 6.454 -14.895 -4.834 1.00 3.25 H new ATOM 0 HA ILE A 83 4.066 -13.511 -5.643 1.00 12.44 H new ATOM 0 HB ILE A 83 4.548 -16.506 -5.395 1.00 20.12 H new ATOM 0 HG12 ILE A 83 4.875 -15.948 -8.045 1.00 2.54 H new ATOM 0 HG13 ILE A 83 5.571 -14.504 -7.339 1.00 2.54 H new ATOM 0 HG21 ILE A 83 2.843 -16.641 -7.167 1.00 74.24 H new ATOM 0 HG22 ILE A 83 2.209 -15.850 -5.705 1.00 74.24 H new ATOM 0 HG23 ILE A 83 2.659 -14.872 -7.122 1.00 74.24 H new ATOM 0 HD11 ILE A 83 7.286 -16.206 -7.721 1.00 11.32 H new ATOM 0 HD12 ILE A 83 7.099 -15.888 -5.980 1.00 11.32 H new ATOM 0 HD13 ILE A 83 6.392 -17.355 -6.698 1.00 11.32 H new ATOM 1304 N VAL A 84 2.593 -13.735 -3.662 1.00 75.44 N ATOM 1305 CA VAL A 84 1.710 -13.829 -2.506 1.00 11.23 C ATOM 1306 C VAL A 84 0.251 -13.939 -2.935 1.00 2.30 C ATOM 1307 O VAL A 84 -0.217 -13.177 -3.781 1.00 44.23 O ATOM 1308 CB VAL A 84 1.870 -12.610 -1.578 1.00 21.14 C ATOM 1309 CG1 VAL A 84 3.176 -12.697 -0.803 1.00 44.51 C ATOM 1310 CG2 VAL A 84 1.800 -11.318 -2.378 1.00 73.51 C ATOM 0 H VAL A 84 2.370 -12.972 -4.302 1.00 75.44 H new ATOM 0 HA VAL A 84 1.994 -14.730 -1.963 1.00 11.23 H new ATOM 0 HB VAL A 84 1.049 -12.611 -0.861 1.00 21.14 H new ATOM 0 HG11 VAL A 84 3.272 -11.827 -0.153 1.00 44.51 H new ATOM 0 HG12 VAL A 84 3.181 -13.604 -0.199 1.00 44.51 H new ATOM 0 HG13 VAL A 84 4.013 -12.722 -1.501 1.00 44.51 H new ATOM 0 HG21 VAL A 84 1.915 -10.467 -1.706 1.00 73.51 H new ATOM 0 HG22 VAL A 84 2.599 -11.305 -3.119 1.00 73.51 H new ATOM 0 HG23 VAL A 84 0.836 -11.254 -2.883 1.00 73.51 H new ATOM 1320 N ASP A 85 -0.463 -14.891 -2.345 1.00 61.25 N ATOM 1321 CA ASP A 85 -1.870 -15.100 -2.665 1.00 73.43 C ATOM 1322 C ASP A 85 -2.767 -14.532 -1.570 1.00 22.02 C ATOM 1323 O ASP A 85 -2.707 -14.964 -0.419 1.00 23.05 O ATOM 1324 CB ASP A 85 -2.156 -16.591 -2.853 1.00 74.15 C ATOM 1325 CG ASP A 85 -2.904 -16.879 -4.140 1.00 74.13 C ATOM 1326 OD1 ASP A 85 -2.261 -16.894 -5.211 1.00 2.53 O ATOM 1327 OD2 ASP A 85 -4.133 -17.091 -4.077 1.00 13.10 O ATOM 0 H ASP A 85 -0.091 -15.530 -1.643 1.00 61.25 H new ATOM 0 HA ASP A 85 -2.087 -14.576 -3.596 1.00 73.43 H new ATOM 0 HB2 ASP A 85 -1.215 -17.141 -2.852 1.00 74.15 H new ATOM 0 HB3 ASP A 85 -2.740 -16.956 -2.008 1.00 74.15 H new ATOM 1332 N ARG A 86 -3.596 -13.561 -1.936 1.00 15.50 N ATOM 1333 CA ARG A 86 -4.504 -12.931 -0.984 1.00 23.22 C ATOM 1334 C ARG A 86 -3.730 -12.106 0.041 1.00 70.44 C ATOM 1335 O ARG A 86 -3.405 -12.573 1.132 1.00 32.45 O ATOM 1336 CB ARG A 86 -5.344 -13.992 -0.271 1.00 14.35 C ATOM 1337 CG ARG A 86 -6.766 -13.544 0.025 1.00 34.03 C ATOM 1338 CD ARG A 86 -6.985 -13.330 1.515 1.00 45.21 C ATOM 1339 NE ARG A 86 -7.535 -14.517 2.164 1.00 42.22 N ATOM 1340 CZ ARG A 86 -7.836 -14.575 3.456 1.00 2.13 C ATOM 1341 NH1 ARG A 86 -7.641 -13.519 4.234 1.00 51.22 N ATOM 1342 NH2 ARG A 86 -8.333 -15.691 3.973 1.00 32.24 N ATOM 0 H ARG A 86 -3.658 -13.193 -2.885 1.00 15.50 H new ATOM 0 HA ARG A 86 -5.166 -12.264 -1.537 1.00 23.22 H new ATOM 0 HB2 ARG A 86 -5.376 -14.892 -0.886 1.00 14.35 H new ATOM 0 HB3 ARG A 86 -4.855 -14.262 0.665 1.00 14.35 H new ATOM 0 HG2 ARG A 86 -6.976 -12.618 -0.511 1.00 34.03 H new ATOM 0 HG3 ARG A 86 -7.468 -14.292 -0.343 1.00 34.03 H new ATOM 0 HD2 ARG A 86 -6.038 -13.065 1.986 1.00 45.21 H new ATOM 0 HD3 ARG A 86 -7.662 -12.489 1.665 1.00 45.21 H new ATOM 0 HE ARG A 86 -7.697 -15.347 1.594 1.00 42.22 H new ATOM 0 HH11 ARG A 86 -7.259 -12.659 3.840 1.00 51.22 H new ATOM 0 HH12 ARG A 86 -7.873 -13.567 5.226 1.00 51.22 H new ATOM 0 HH21 ARG A 86 -8.484 -16.506 3.378 1.00 32.24 H new ATOM 0 HH22 ARG A 86 -8.564 -15.735 4.966 1.00 32.24 H new ATOM 1356 N PRO A 87 -3.427 -10.850 -0.318 1.00 63.12 N ATOM 1357 CA PRO A 87 -3.808 -10.283 -1.615 1.00 64.54 C ATOM 1358 C PRO A 87 -3.030 -10.905 -2.770 1.00 71.34 C ATOM 1359 O PRO A 87 -1.955 -11.474 -2.574 1.00 10.41 O ATOM 1360 CB PRO A 87 -3.457 -8.800 -1.472 1.00 24.54 C ATOM 1361 CG PRO A 87 -2.384 -8.764 -0.439 1.00 1.45 C ATOM 1362 CD PRO A 87 -2.688 -9.886 0.515 1.00 70.14 C ATOM 0 HA PRO A 87 -4.857 -10.466 -1.847 1.00 64.54 H new ATOM 0 HB2 PRO A 87 -3.111 -8.382 -2.417 1.00 24.54 H new ATOM 0 HB3 PRO A 87 -4.324 -8.216 -1.163 1.00 24.54 H new ATOM 0 HG2 PRO A 87 -1.401 -8.893 -0.893 1.00 1.45 H new ATOM 0 HG3 PRO A 87 -2.373 -7.805 0.078 1.00 1.45 H new ATOM 0 HD2 PRO A 87 -1.777 -10.324 0.924 1.00 70.14 H new ATOM 0 HD3 PRO A 87 -3.285 -9.544 1.360 1.00 70.14 H new ATOM 1370 N LEU A 88 -3.579 -10.794 -3.975 1.00 11.11 N ATOM 1371 CA LEU A 88 -2.936 -11.345 -5.163 1.00 33.12 C ATOM 1372 C LEU A 88 -2.012 -10.317 -5.808 1.00 73.43 C ATOM 1373 O LEU A 88 -2.467 -9.420 -6.517 1.00 4.53 O ATOM 1374 CB LEU A 88 -3.991 -11.804 -6.171 1.00 51.11 C ATOM 1375 CG LEU A 88 -4.258 -13.309 -6.226 1.00 4.42 C ATOM 1376 CD1 LEU A 88 -5.709 -13.606 -5.882 1.00 61.43 C ATOM 1377 CD2 LEU A 88 -3.908 -13.863 -7.599 1.00 53.44 C ATOM 0 H LEU A 88 -4.468 -10.327 -4.155 1.00 11.11 H new ATOM 0 HA LEU A 88 -2.337 -12.203 -4.858 1.00 33.12 H new ATOM 0 HB2 LEU A 88 -4.928 -11.297 -5.942 1.00 51.11 H new ATOM 0 HB3 LEU A 88 -3.684 -11.473 -7.163 1.00 51.11 H new ATOM 0 HG LEU A 88 -3.624 -13.799 -5.487 1.00 4.42 H new ATOM 0 HD11 LEU A 88 -5.881 -14.681 -5.926 1.00 61.43 H new ATOM 0 HD12 LEU A 88 -5.926 -13.245 -4.877 1.00 61.43 H new ATOM 0 HD13 LEU A 88 -6.362 -13.105 -6.596 1.00 61.43 H new ATOM 0 HD21 LEU A 88 -4.104 -14.935 -7.620 1.00 53.44 H new ATOM 0 HD22 LEU A 88 -4.516 -13.368 -8.357 1.00 53.44 H new ATOM 0 HD23 LEU A 88 -2.853 -13.683 -7.806 1.00 53.44 H new ATOM 1389 N GLN A 89 -0.714 -10.458 -5.560 1.00 12.43 N ATOM 1390 CA GLN A 89 0.273 -9.542 -6.118 1.00 44.14 C ATOM 1391 C GLN A 89 1.690 -10.040 -5.852 1.00 30.04 C ATOM 1392 O GLN A 89 1.885 -11.126 -5.306 1.00 73.41 O ATOM 1393 CB GLN A 89 0.093 -8.142 -5.529 1.00 12.01 C ATOM 1394 CG GLN A 89 0.030 -8.125 -4.010 1.00 44.22 C ATOM 1395 CD GLN A 89 0.030 -6.719 -3.442 1.00 34.30 C ATOM 1396 OE1 GLN A 89 -0.770 -5.874 -3.846 1.00 64.32 O ATOM 1397 NE2 GLN A 89 0.928 -6.461 -2.499 1.00 32.45 N ATOM 0 H GLN A 89 -0.322 -11.197 -4.977 1.00 12.43 H new ATOM 0 HA GLN A 89 0.120 -9.497 -7.196 1.00 44.14 H new ATOM 0 HB2 GLN A 89 0.918 -7.510 -5.857 1.00 12.01 H new ATOM 0 HB3 GLN A 89 -0.822 -7.704 -5.927 1.00 12.01 H new ATOM 0 HG2 GLN A 89 -0.870 -8.646 -3.682 1.00 44.22 H new ATOM 0 HG3 GLN A 89 0.881 -8.675 -3.609 1.00 44.22 H new ATOM 0 HE21 GLN A 89 1.572 -7.191 -2.194 1.00 32.45 H new ATOM 0 HE22 GLN A 89 0.974 -5.533 -2.079 1.00 32.45 H new ATOM 1406 N VAL A 90 2.677 -9.239 -6.240 1.00 52.32 N ATOM 1407 CA VAL A 90 4.076 -9.598 -6.042 1.00 40.33 C ATOM 1408 C VAL A 90 4.838 -8.475 -5.347 1.00 22.53 C ATOM 1409 O VAL A 90 4.446 -7.310 -5.413 1.00 64.22 O ATOM 1410 CB VAL A 90 4.767 -9.920 -7.380 1.00 64.43 C ATOM 1411 CG1 VAL A 90 6.115 -10.583 -7.139 1.00 2.11 C ATOM 1412 CG2 VAL A 90 3.876 -10.804 -8.240 1.00 43.35 C ATOM 0 H VAL A 90 2.533 -8.337 -6.693 1.00 52.32 H new ATOM 0 HA VAL A 90 4.089 -10.487 -5.411 1.00 40.33 H new ATOM 0 HB VAL A 90 4.939 -8.986 -7.914 1.00 64.43 H new ATOM 0 HG11 VAL A 90 6.588 -10.803 -8.096 1.00 2.11 H new ATOM 0 HG12 VAL A 90 6.753 -9.912 -6.564 1.00 2.11 H new ATOM 0 HG13 VAL A 90 5.971 -11.510 -6.584 1.00 2.11 H new ATOM 0 HG21 VAL A 90 4.380 -11.022 -9.182 1.00 43.35 H new ATOM 0 HG22 VAL A 90 3.672 -11.736 -7.714 1.00 43.35 H new ATOM 0 HG23 VAL A 90 2.937 -10.288 -8.442 1.00 43.35 H new ATOM 1422 N PHE A 91 5.930 -8.834 -4.679 1.00 71.33 N ATOM 1423 CA PHE A 91 6.748 -7.857 -3.970 1.00 61.42 C ATOM 1424 C PHE A 91 8.106 -7.692 -4.646 1.00 70.03 C ATOM 1425 O PHE A 91 8.830 -8.666 -4.856 1.00 43.43 O ATOM 1426 CB PHE A 91 6.940 -8.283 -2.513 1.00 13.20 C ATOM 1427 CG PHE A 91 5.682 -8.206 -1.696 1.00 10.44 C ATOM 1428 CD1 PHE A 91 5.120 -6.979 -1.378 1.00 62.55 C ATOM 1429 CD2 PHE A 91 5.062 -9.359 -1.244 1.00 73.51 C ATOM 1430 CE1 PHE A 91 3.963 -6.905 -0.627 1.00 14.02 C ATOM 1431 CE2 PHE A 91 3.904 -9.291 -0.493 1.00 31.25 C ATOM 1432 CZ PHE A 91 3.354 -8.062 -0.182 1.00 63.54 C ATOM 0 H PHE A 91 6.268 -9.794 -4.614 1.00 71.33 H new ATOM 0 HA PHE A 91 6.230 -6.899 -3.996 1.00 61.42 H new ATOM 0 HB2 PHE A 91 7.318 -9.305 -2.488 1.00 13.20 H new ATOM 0 HB3 PHE A 91 7.701 -7.651 -2.055 1.00 13.20 H new ATOM 0 HD1 PHE A 91 5.592 -6.071 -1.721 1.00 62.55 H new ATOM 0 HD2 PHE A 91 5.488 -10.322 -1.481 1.00 73.51 H new ATOM 0 HE1 PHE A 91 3.535 -5.943 -0.388 1.00 14.02 H new ATOM 0 HE2 PHE A 91 3.429 -10.198 -0.149 1.00 31.25 H new ATOM 0 HZ PHE A 91 2.451 -8.006 0.407 1.00 63.54 H new ATOM 1442 N HIS A 92 8.444 -6.452 -4.986 1.00 24.13 N ATOM 1443 CA HIS A 92 9.715 -6.158 -5.638 1.00 42.04 C ATOM 1444 C HIS A 92 10.880 -6.359 -4.674 1.00 44.32 C ATOM 1445 O HIS A 92 10.994 -5.659 -3.668 1.00 23.14 O ATOM 1446 CB HIS A 92 9.720 -4.725 -6.171 1.00 14.44 C ATOM 1447 CG HIS A 92 10.291 -4.599 -7.549 1.00 71.43 C ATOM 1448 ND1 HIS A 92 11.405 -5.296 -7.969 1.00 34.14 N ATOM 1449 CD2 HIS A 92 9.895 -3.854 -8.607 1.00 42.53 C ATOM 1450 CE1 HIS A 92 11.670 -4.983 -9.224 1.00 42.22 C ATOM 1451 NE2 HIS A 92 10.769 -4.110 -9.635 1.00 54.55 N ATOM 0 H HIS A 92 7.856 -5.635 -4.821 1.00 24.13 H new ATOM 0 HA HIS A 92 9.834 -6.848 -6.473 1.00 42.04 H new ATOM 0 HB2 HIS A 92 8.699 -4.344 -6.174 1.00 14.44 H new ATOM 0 HB3 HIS A 92 10.293 -4.095 -5.490 1.00 14.44 H new ATOM 0 HD2 HIS A 92 9.049 -3.183 -8.637 1.00 42.53 H new ATOM 0 HE1 HIS A 92 12.485 -5.375 -9.814 1.00 42.22 H new ATOM 0 HE2 HIS A 92 10.729 -3.693 -10.565 1.00 54.55 H new ATOM 1459 N VAL A 93 11.744 -7.320 -4.988 1.00 53.55 N ATOM 1460 CA VAL A 93 12.900 -7.612 -4.150 1.00 63.25 C ATOM 1461 C VAL A 93 14.197 -7.498 -4.944 1.00 50.21 C ATOM 1462 O VAL A 93 14.341 -8.102 -6.006 1.00 60.31 O ATOM 1463 CB VAL A 93 12.808 -9.023 -3.539 1.00 60.04 C ATOM 1464 CG1 VAL A 93 14.082 -9.361 -2.780 1.00 42.33 C ATOM 1465 CG2 VAL A 93 11.592 -9.132 -2.632 1.00 2.54 C ATOM 0 H VAL A 93 11.664 -7.909 -5.817 1.00 53.55 H new ATOM 0 HA VAL A 93 12.903 -6.875 -3.347 1.00 63.25 H new ATOM 0 HB VAL A 93 12.695 -9.744 -4.349 1.00 60.04 H new ATOM 0 HG11 VAL A 93 13.998 -10.361 -2.356 1.00 42.33 H new ATOM 0 HG12 VAL A 93 14.932 -9.326 -3.462 1.00 42.33 H new ATOM 0 HG13 VAL A 93 14.230 -8.638 -1.978 1.00 42.33 H new ATOM 0 HG21 VAL A 93 11.542 -10.135 -2.209 1.00 2.54 H new ATOM 0 HG22 VAL A 93 11.672 -8.402 -1.827 1.00 2.54 H new ATOM 0 HG23 VAL A 93 10.689 -8.937 -3.210 1.00 2.54 H new ATOM 1475 N GLU A 94 15.138 -6.718 -4.420 1.00 61.55 N ATOM 1476 CA GLU A 94 16.424 -6.525 -5.081 1.00 55.02 C ATOM 1477 C GLU A 94 17.569 -6.601 -4.076 1.00 11.53 C ATOM 1478 O GLU A 94 17.709 -5.735 -3.212 1.00 25.14 O ATOM 1479 CB GLU A 94 16.453 -5.177 -5.804 1.00 12.52 C ATOM 1480 CG GLU A 94 16.110 -5.270 -7.281 1.00 64.12 C ATOM 1481 CD GLU A 94 15.934 -3.909 -7.926 1.00 70.35 C ATOM 1482 OE1 GLU A 94 16.865 -3.082 -7.832 1.00 73.24 O ATOM 1483 OE2 GLU A 94 14.864 -3.672 -8.526 1.00 43.01 O ATOM 0 H GLU A 94 15.034 -6.210 -3.541 1.00 61.55 H new ATOM 0 HA GLU A 94 16.552 -7.324 -5.812 1.00 55.02 H new ATOM 0 HB2 GLU A 94 15.751 -4.499 -5.319 1.00 12.52 H new ATOM 0 HB3 GLU A 94 17.445 -4.738 -5.697 1.00 12.52 H new ATOM 0 HG2 GLU A 94 16.899 -5.814 -7.800 1.00 64.12 H new ATOM 0 HG3 GLU A 94 15.193 -5.846 -7.402 1.00 64.12 H new ATOM 1490 N VAL A 95 18.385 -7.643 -4.195 1.00 4.31 N ATOM 1491 CA VAL A 95 19.519 -7.832 -3.298 1.00 20.32 C ATOM 1492 C VAL A 95 20.837 -7.557 -4.012 1.00 63.34 C ATOM 1493 O VAL A 95 21.112 -8.126 -5.068 1.00 41.14 O ATOM 1494 CB VAL A 95 19.547 -9.261 -2.724 1.00 24.25 C ATOM 1495 CG1 VAL A 95 18.339 -9.503 -1.832 1.00 0.42 C ATOM 1496 CG2 VAL A 95 19.605 -10.285 -3.847 1.00 34.42 C ATOM 0 H VAL A 95 18.282 -8.369 -4.904 1.00 4.31 H new ATOM 0 HA VAL A 95 19.398 -7.122 -2.480 1.00 20.32 H new ATOM 0 HB VAL A 95 20.445 -9.372 -2.116 1.00 24.25 H new ATOM 0 HG11 VAL A 95 18.377 -10.518 -1.436 1.00 0.42 H new ATOM 0 HG12 VAL A 95 18.348 -8.791 -1.007 1.00 0.42 H new ATOM 0 HG13 VAL A 95 17.426 -9.374 -2.413 1.00 0.42 H new ATOM 0 HG21 VAL A 95 19.624 -11.289 -3.423 1.00 34.42 H new ATOM 0 HG22 VAL A 95 18.727 -10.177 -4.484 1.00 34.42 H new ATOM 0 HG23 VAL A 95 20.505 -10.124 -4.440 1.00 34.42 H new ATOM 1506 N GLU A 96 21.649 -6.682 -3.428 1.00 44.43 N ATOM 1507 CA GLU A 96 22.940 -6.331 -4.010 1.00 75.14 C ATOM 1508 C GLU A 96 24.080 -7.002 -3.250 1.00 72.10 C ATOM 1509 O GLU A 96 23.975 -7.258 -2.050 1.00 41.14 O ATOM 1510 CB GLU A 96 23.131 -4.813 -4.004 1.00 64.10 C ATOM 1511 CG GLU A 96 23.384 -4.226 -5.382 1.00 42.34 C ATOM 1512 CD GLU A 96 24.852 -3.938 -5.634 1.00 14.13 C ATOM 1513 OE1 GLU A 96 25.672 -4.868 -5.491 1.00 22.04 O ATOM 1514 OE2 GLU A 96 25.179 -2.782 -5.974 1.00 51.40 O ATOM 0 H GLU A 96 21.436 -6.203 -2.553 1.00 44.43 H new ATOM 0 HA GLU A 96 22.955 -6.687 -5.040 1.00 75.14 H new ATOM 0 HB2 GLU A 96 22.244 -4.345 -3.576 1.00 64.10 H new ATOM 0 HB3 GLU A 96 23.968 -4.563 -3.353 1.00 64.10 H new ATOM 0 HG2 GLU A 96 23.018 -4.918 -6.140 1.00 42.34 H new ATOM 0 HG3 GLU A 96 22.813 -3.304 -5.490 1.00 42.34 H new ATOM 1521 N VAL A 97 25.169 -7.285 -3.957 1.00 61.14 N ATOM 1522 CA VAL A 97 26.330 -7.926 -3.350 1.00 52.35 C ATOM 1523 C VAL A 97 27.190 -6.912 -2.605 1.00 13.34 C ATOM 1524 O VAL A 97 27.365 -5.780 -3.056 1.00 11.20 O ATOM 1525 CB VAL A 97 27.195 -8.637 -4.408 1.00 31.24 C ATOM 1526 CG1 VAL A 97 26.530 -9.928 -4.861 1.00 41.24 C ATOM 1527 CG2 VAL A 97 27.454 -7.717 -5.591 1.00 0.33 C ATOM 0 H VAL A 97 25.272 -7.081 -4.951 1.00 61.14 H new ATOM 0 HA VAL A 97 25.951 -8.665 -2.644 1.00 52.35 H new ATOM 0 HB VAL A 97 28.155 -8.889 -3.957 1.00 31.24 H new ATOM 0 HG11 VAL A 97 27.155 -10.417 -5.608 1.00 41.24 H new ATOM 0 HG12 VAL A 97 26.402 -10.591 -4.005 1.00 41.24 H new ATOM 0 HG13 VAL A 97 25.556 -9.703 -5.294 1.00 41.24 H new ATOM 0 HG21 VAL A 97 28.067 -8.236 -6.328 1.00 0.33 H new ATOM 0 HG22 VAL A 97 26.505 -7.431 -6.044 1.00 0.33 H new ATOM 0 HG23 VAL A 97 27.977 -6.823 -5.249 1.00 0.33 H new ATOM 1537 N ARG A 98 27.725 -7.325 -1.460 1.00 74.45 N ATOM 1538 CA ARG A 98 28.566 -6.453 -0.651 1.00 3.21 C ATOM 1539 C ARG A 98 29.962 -7.047 -0.483 1.00 11.52 C ATOM 1540 O ARG A 98 30.163 -7.970 0.306 1.00 65.34 O ATOM 1541 CB ARG A 98 27.929 -6.224 0.721 1.00 43.41 C ATOM 1542 CG ARG A 98 28.057 -4.794 1.220 1.00 13.34 C ATOM 1543 CD ARG A 98 29.406 -4.551 1.878 1.00 63.33 C ATOM 1544 NE ARG A 98 29.489 -5.165 3.200 1.00 21.42 N ATOM 1545 CZ ARG A 98 30.598 -5.190 3.931 1.00 42.01 C ATOM 1546 NH1 ARG A 98 31.712 -4.637 3.470 1.00 31.52 N ATOM 1547 NH2 ARG A 98 30.595 -5.768 5.125 1.00 15.34 N ATOM 0 H ARG A 98 27.590 -8.259 -1.072 1.00 74.45 H new ATOM 0 HA ARG A 98 28.656 -5.497 -1.166 1.00 3.21 H new ATOM 0 HB2 ARG A 98 26.873 -6.489 0.671 1.00 43.41 H new ATOM 0 HB3 ARG A 98 28.392 -6.895 1.444 1.00 43.41 H new ATOM 0 HG2 ARG A 98 27.928 -4.104 0.386 1.00 13.34 H new ATOM 0 HG3 ARG A 98 27.260 -4.584 1.933 1.00 13.34 H new ATOM 0 HD2 ARG A 98 30.196 -4.951 1.243 1.00 63.33 H new ATOM 0 HD3 ARG A 98 29.579 -3.478 1.965 1.00 63.33 H new ATOM 0 HE ARG A 98 28.649 -5.599 3.583 1.00 21.42 H new ATOM 0 HH11 ARG A 98 31.718 -4.191 2.553 1.00 31.52 H new ATOM 0 HH12 ARG A 98 32.562 -4.657 4.033 1.00 31.52 H new ATOM 0 HH21 ARG A 98 29.740 -6.194 5.483 1.00 15.34 H new ATOM 0 HH22 ARG A 98 31.447 -5.786 5.685 1.00 15.34 H new ATOM 1561 N ASP A 99 30.921 -6.510 -1.229 1.00 70.22 N ATOM 1562 CA ASP A 99 32.298 -6.986 -1.163 1.00 32.22 C ATOM 1563 C ASP A 99 33.185 -6.222 -2.141 1.00 32.11 C ATOM 1564 O ASP A 99 32.769 -5.214 -2.714 1.00 20.44 O ATOM 1565 CB ASP A 99 32.357 -8.484 -1.465 1.00 21.42 C ATOM 1566 CG ASP A 99 33.042 -9.270 -0.364 1.00 31.21 C ATOM 1567 OD1 ASP A 99 34.205 -8.949 -0.040 1.00 15.52 O ATOM 1568 OD2 ASP A 99 32.415 -10.206 0.174 1.00 30.43 O ATOM 0 H ASP A 99 30.770 -5.745 -1.886 1.00 70.22 H new ATOM 0 HA ASP A 99 32.668 -6.812 -0.153 1.00 32.22 H new ATOM 0 HB2 ASP A 99 31.345 -8.864 -1.603 1.00 21.42 H new ATOM 0 HB3 ASP A 99 32.887 -8.642 -2.404 1.00 21.42 H new ATOM 1573 N ILE A 100 34.408 -6.708 -2.326 1.00 13.50 N ATOM 1574 CA ILE A 100 35.353 -6.070 -3.234 1.00 74.15 C ATOM 1575 C ILE A 100 35.981 -7.090 -4.178 1.00 42.21 C ATOM 1576 O ILE A 100 36.045 -8.279 -3.870 1.00 3.14 O ATOM 1577 CB ILE A 100 36.471 -5.343 -2.464 1.00 54.44 C ATOM 1578 CG1 ILE A 100 37.150 -4.309 -3.365 1.00 4.14 C ATOM 1579 CG2 ILE A 100 37.487 -6.343 -1.936 1.00 65.31 C ATOM 1580 CD1 ILE A 100 36.217 -3.221 -3.847 1.00 10.53 C ATOM 0 H ILE A 100 34.767 -7.541 -1.859 1.00 13.50 H new ATOM 0 HA ILE A 100 34.789 -5.339 -3.814 1.00 74.15 H new ATOM 0 HB ILE A 100 36.029 -4.823 -1.614 1.00 54.44 H new ATOM 0 HG12 ILE A 100 37.977 -3.852 -2.821 1.00 4.14 H new ATOM 0 HG13 ILE A 100 37.579 -4.817 -4.229 1.00 4.14 H new ATOM 0 HG21 ILE A 100 38.271 -5.814 -1.394 1.00 65.31 H new ATOM 0 HG22 ILE A 100 36.992 -7.045 -1.265 1.00 65.31 H new ATOM 0 HG23 ILE A 100 37.928 -6.889 -2.770 1.00 65.31 H new ATOM 0 HD11 ILE A 100 36.767 -2.524 -4.480 1.00 10.53 H new ATOM 0 HD12 ILE A 100 35.403 -3.667 -4.419 1.00 10.53 H new ATOM 0 HD13 ILE A 100 35.808 -2.687 -2.990 1.00 10.53 H new