USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 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 81 ASN : amide:sc= -6.14! K(o=-11!,f=-3.5) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.48! K(o=-11!,f=-3.5) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 1.04 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 172:sc= 0.998 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.92) USER MOD Single : A 0 HIS N :NH3+ 173:sc= 0 (180deg=-0.0381) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= -0.24 (180deg=-1.03) USER MOD Single : A 3 SER OG : rot 141:sc= -1.69! USER MOD Single : A 4 THR OG1 : rot -57:sc= -5.35! USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= -6.84! (180deg=-6.89!) USER MOD Single : A 7 SER OG : rot -134:sc= 1.03 USER MOD Single : A 9 TYR OH : rot -1:sc= -0.147 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 140:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 CYS SG : rot 108:sc= -4.65! USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -2.68! (180deg=-6.1!) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0724) USER MOD Single : A 39 SER OG : rot -6:sc= -1.38 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.493 (180deg=-0.891) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -1! (180deg=-1.36!) USER MOD Single : A 49 TYR OH : rot 180:sc= -4.35! USER MOD Single : A 56 THR OG1 : rot 132:sc= -0.0502 USER MOD Single : A 59 GLN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00881 USER MOD Single : A 91 MET CE :methyl 159:sc= -0.604 (180deg=-1.41) USER MOD Single : A 92 SER OG : rot -170:sc= 0 USER MOD Single : A 95 TYR OH : rot 94:sc= 0.9 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -147:sc= -1.38! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.29! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 110 SER OG : rot 160:sc= -2! USER MOD Single : A 113 ASN : amide:sc= -3.94! C(o=-3.9!,f=-1.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.194 USER MOD Single : B 599 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.34) USER MOD Single : B 600 MET CE :methyl -108:sc= -1.01 (180deg=-4.55!) USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= -0.0534 USER MOD Single : B 608 LYS NZ :NH3+ -127:sc= -0.619 (180deg=-1.2) USER MOD Single : B 609 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : B 616 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.56) USER MOD Single : B 626 SER OG : rot 147:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -21.865 -6.840 6.862 1.00 1.12 N ATOM 2 CA HIS A 0 -21.401 -8.117 6.346 1.00 61.45 C ATOM 3 C HIS A 0 -20.265 -7.886 5.350 1.00 35.31 C ATOM 4 O HIS A 0 -20.323 -8.358 4.215 1.00 72.51 O ATOM 5 CB HIS A 0 -22.561 -8.914 5.747 1.00 53.13 C ATOM 6 CG HIS A 0 -23.068 -8.368 4.433 1.00 32.11 C ATOM 7 ND1 HIS A 0 -22.920 -9.042 3.233 1.00 32.05 N ATOM 8 CD2 HIS A 0 -23.723 -7.206 4.144 1.00 50.51 C ATOM 9 CE1 HIS A 0 -23.464 -8.311 2.272 1.00 52.22 C ATOM 10 NE2 HIS A 0 -23.960 -7.173 2.838 1.00 53.24 N ATOM 0 H1 HIS A 0 -22.712 -6.989 7.446 1.00 1.12 H new ATOM 0 H2 HIS A 0 -21.117 -6.407 7.441 1.00 1.12 H new ATOM 0 H3 HIS A 0 -22.098 -6.209 6.069 1.00 1.12 H new ATOM 0 HA HIS A 0 -21.004 -8.720 7.162 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -22.242 -9.946 5.601 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -23.383 -8.933 6.462 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -24.001 -6.443 4.856 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -23.507 -8.570 1.224 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -24.435 -6.420 2.340 1.00 53.24 H new ATOM 19 N MET A 1 -19.256 -7.158 5.810 1.00 60.44 N ATOM 20 CA MET A 1 -18.106 -6.860 4.972 1.00 22.32 C ATOM 21 C MET A 1 -17.038 -7.947 5.098 1.00 4.00 C ATOM 22 O MET A 1 -17.262 -8.969 5.744 1.00 44.45 O ATOM 23 CB MET A 1 -17.513 -5.511 5.384 1.00 71.22 C ATOM 24 CG MET A 1 -18.493 -4.370 5.098 1.00 15.14 C ATOM 25 SD MET A 1 -18.695 -4.167 3.336 1.00 51.34 S ATOM 26 CE MET A 1 -20.460 -3.922 3.253 1.00 14.51 C ATOM 0 H MET A 1 -19.212 -6.767 6.751 1.00 60.44 H new ATOM 0 HA MET A 1 -18.436 -6.822 3.934 1.00 22.32 H new ATOM 0 HB2 MET A 1 -17.268 -5.527 6.446 1.00 71.22 H new ATOM 0 HB3 MET A 1 -16.582 -5.339 4.844 1.00 71.22 H new ATOM 0 HG2 MET A 1 -19.457 -4.583 5.561 1.00 15.14 H new ATOM 0 HG3 MET A 1 -18.125 -3.444 5.539 1.00 15.14 H new ATOM 0 HE1 MET A 1 -20.759 -3.778 2.215 1.00 14.51 H new ATOM 0 HE2 MET A 1 -20.968 -4.797 3.659 1.00 14.51 H new ATOM 0 HE3 MET A 1 -20.733 -3.041 3.834 1.00 14.51 H new ATOM 36 N LYS A 2 -15.901 -7.689 4.471 1.00 62.51 N ATOM 37 CA LYS A 2 -14.796 -8.633 4.503 1.00 10.34 C ATOM 38 C LYS A 2 -13.493 -7.878 4.770 1.00 43.14 C ATOM 39 O LYS A 2 -12.768 -8.198 5.711 1.00 64.10 O ATOM 40 CB LYS A 2 -14.771 -9.474 3.226 1.00 5.43 C ATOM 41 CG LYS A 2 -16.071 -10.263 3.061 1.00 43.31 C ATOM 42 CD LYS A 2 -15.875 -11.453 2.121 1.00 21.51 C ATOM 43 CE LYS A 2 -17.220 -12.059 1.714 1.00 53.32 C ATOM 44 NZ LYS A 2 -18.079 -11.033 1.080 1.00 45.41 N ATOM 0 H LYS A 2 -15.720 -6.839 3.937 1.00 62.51 H new ATOM 0 HA LYS A 2 -14.925 -9.343 5.320 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -14.623 -8.825 2.362 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -13.926 -10.162 3.256 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -16.412 -10.616 4.034 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -16.850 -9.609 2.668 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -15.333 -11.133 1.231 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -15.264 -12.211 2.611 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -17.059 -12.885 1.022 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -17.721 -12.470 2.591 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -18.754 -11.494 0.437 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -18.600 -10.514 1.815 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -17.487 -10.369 0.542 1.00 45.41 H new ATOM 58 N SER A 3 -13.235 -6.891 3.924 1.00 55.01 N ATOM 59 CA SER A 3 -12.030 -6.088 4.057 1.00 1.34 C ATOM 60 C SER A 3 -12.077 -5.286 5.359 1.00 53.21 C ATOM 61 O SER A 3 -13.084 -5.299 6.065 1.00 52.14 O ATOM 62 CB SER A 3 -11.861 -5.150 2.861 1.00 61.21 C ATOM 63 OG SER A 3 -11.802 -5.862 1.627 1.00 4.25 O ATOM 0 H SER A 3 -13.839 -6.629 3.145 1.00 55.01 H new ATOM 0 HA SER A 3 -11.171 -6.759 4.083 1.00 1.34 H new ATOM 0 HB2 SER A 3 -12.692 -4.445 2.833 1.00 61.21 H new ATOM 0 HB3 SER A 3 -10.950 -4.565 2.985 1.00 61.21 H new ATOM 0 HG SER A 3 -12.294 -5.366 0.940 1.00 4.25 H new ATOM 69 N THR A 4 -10.975 -4.606 5.637 1.00 53.15 N ATOM 70 CA THR A 4 -10.878 -3.799 6.842 1.00 1.20 C ATOM 71 C THR A 4 -10.211 -2.458 6.532 1.00 34.02 C ATOM 72 O THR A 4 -10.886 -1.438 6.412 1.00 52.13 O ATOM 73 CB THR A 4 -10.135 -4.618 7.900 1.00 73.15 C ATOM 74 OG1 THR A 4 -8.841 -4.820 7.338 1.00 53.12 O ATOM 75 CG2 THR A 4 -10.700 -6.031 8.051 1.00 74.44 C ATOM 0 H THR A 4 -10.142 -4.597 5.049 1.00 53.15 H new ATOM 0 HA THR A 4 -11.864 -3.553 7.235 1.00 1.20 H new ATOM 0 HB THR A 4 -10.187 -4.102 8.859 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.928 -5.263 6.468 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.137 -6.568 8.814 1.00 74.44 H new ATOM 0 HG22 THR A 4 -11.748 -5.974 8.346 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.619 -6.559 7.101 1.00 74.44 H new ATOM 83 N PHE A 5 -8.892 -2.502 6.412 1.00 11.00 N ATOM 84 CA PHE A 5 -8.125 -1.303 6.119 1.00 22.31 C ATOM 85 C PHE A 5 -8.747 -0.526 4.957 1.00 41.51 C ATOM 86 O PHE A 5 -8.521 0.675 4.818 1.00 44.32 O ATOM 87 CB PHE A 5 -6.720 -1.759 5.719 1.00 64.21 C ATOM 88 CG PHE A 5 -5.899 -0.683 5.002 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.520 0.441 5.670 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.549 -0.851 3.700 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.759 1.437 5.006 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.787 0.146 3.034 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.408 1.270 3.702 1.00 2.25 C ATOM 0 H PHE A 5 -8.335 -3.350 6.513 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.108 -0.649 6.990 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.183 -2.076 6.613 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.803 -2.631 5.071 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.799 0.574 6.705 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.850 -1.743 3.171 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.458 2.329 5.536 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -4.509 0.012 1.999 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.829 2.029 3.197 1.00 2.25 H new ATOM 103 N LYS A 6 -9.518 -1.243 4.153 1.00 54.43 N ATOM 104 CA LYS A 6 -10.174 -0.635 3.007 1.00 61.10 C ATOM 105 C LYS A 6 -11.585 -0.197 3.406 1.00 23.11 C ATOM 106 O LYS A 6 -12.103 0.791 2.885 1.00 53.24 O ATOM 107 CB LYS A 6 -10.141 -1.582 1.806 1.00 72.11 C ATOM 108 CG LYS A 6 -8.994 -1.224 0.858 1.00 41.42 C ATOM 109 CD LYS A 6 -7.642 -1.606 1.462 1.00 55.05 C ATOM 110 CE LYS A 6 -6.565 -1.704 0.381 1.00 11.24 C ATOM 111 NZ LYS A 6 -6.646 -3.008 -0.314 1.00 41.43 N ATOM 0 H LYS A 6 -9.703 -2.239 4.272 1.00 54.43 H new ATOM 0 HA LYS A 6 -9.638 0.261 2.692 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -10.025 -2.609 2.151 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -11.089 -1.530 1.271 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -9.130 -1.739 -0.093 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -9.013 -0.155 0.647 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -7.349 -0.864 2.205 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -7.729 -2.560 1.981 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -6.688 -0.894 -0.338 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -5.579 -1.585 0.830 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -5.887 -3.072 -1.022 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -6.540 -3.777 0.378 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -7.568 -3.092 -0.787 1.00 41.43 H new ATOM 125 N SER A 7 -12.166 -0.953 4.324 1.00 32.24 N ATOM 126 CA SER A 7 -13.507 -0.654 4.801 1.00 10.10 C ATOM 127 C SER A 7 -13.457 0.462 5.846 1.00 13.42 C ATOM 128 O SER A 7 -14.477 0.813 6.434 1.00 63.35 O ATOM 129 CB SER A 7 -14.173 -1.902 5.387 1.00 44.33 C ATOM 130 OG SER A 7 -15.404 -1.593 6.037 1.00 52.21 O ATOM 0 H SER A 7 -11.734 -1.772 4.751 1.00 32.24 H new ATOM 0 HA SER A 7 -14.104 -0.319 3.953 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.354 -2.624 4.591 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.496 -2.375 6.098 1.00 44.33 H new ATOM 0 HG SER A 7 -15.438 -2.045 6.906 1.00 52.21 H new ATOM 136 N GLU A 8 -12.257 0.989 6.044 1.00 33.03 N ATOM 137 CA GLU A 8 -12.060 2.058 7.008 1.00 53.01 C ATOM 138 C GLU A 8 -12.361 3.414 6.366 1.00 75.05 C ATOM 139 O GLU A 8 -13.285 4.110 6.782 1.00 11.10 O ATOM 140 CB GLU A 8 -10.640 2.025 7.579 1.00 50.33 C ATOM 141 CG GLU A 8 -10.665 2.091 9.108 1.00 33.05 C ATOM 142 CD GLU A 8 -9.740 3.195 9.624 1.00 44.11 C ATOM 143 OE1 GLU A 8 -8.519 3.128 9.419 1.00 71.32 O ATOM 144 OE2 GLU A 8 -10.333 4.151 10.257 1.00 31.12 O ATOM 0 H GLU A 8 -11.412 0.696 5.553 1.00 33.03 H new ATOM 0 HA GLU A 8 -12.754 1.908 7.835 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.136 1.113 7.258 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.065 2.863 7.184 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.683 2.275 9.451 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -10.357 1.131 9.522 1.00 33.05 H new ATOM 152 N TYR A 9 -11.563 3.747 5.362 1.00 11.51 N ATOM 153 CA TYR A 9 -11.734 5.007 4.658 1.00 34.03 C ATOM 154 C TYR A 9 -11.837 4.783 3.148 1.00 13.04 C ATOM 155 O TYR A 9 -11.665 3.662 2.671 1.00 20.14 O ATOM 156 CB TYR A 9 -10.479 5.829 4.955 1.00 23.45 C ATOM 157 CG TYR A 9 -9.303 5.002 5.479 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.731 4.032 4.681 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.813 5.226 6.749 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.624 3.254 5.173 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.706 4.447 7.243 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.167 3.499 6.430 1.00 24.23 C ATOM 163 OH TYR A 9 -6.122 2.763 6.896 1.00 62.13 O ATOM 0 H TYR A 9 -10.797 3.167 5.019 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.647 5.506 4.981 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.171 6.344 4.045 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.725 6.597 5.688 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.114 3.856 3.687 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -9.259 5.986 7.373 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.167 2.493 4.558 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -7.313 4.612 8.236 1.00 14.01 H new ATOM 0 HH TYR A 9 -5.852 2.111 6.216 1.00 62.13 H new ATOM 173 N PRO A 10 -12.122 5.895 2.419 1.00 21.33 N ATOM 174 CA PRO A 10 -12.249 5.829 0.974 1.00 5.43 C ATOM 175 C PRO A 10 -10.877 5.704 0.308 1.00 23.30 C ATOM 176 O PRO A 10 -9.887 6.232 0.812 1.00 24.20 O ATOM 177 CB PRO A 10 -12.983 7.103 0.585 1.00 2.54 C ATOM 178 CG PRO A 10 -12.829 8.050 1.766 1.00 23.32 C ATOM 179 CD PRO A 10 -12.330 7.239 2.950 1.00 44.44 C ATOM 0 HA PRO A 10 -12.799 4.949 0.640 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.560 7.537 -0.321 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.034 6.901 0.381 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.126 8.848 1.526 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.782 8.524 2.002 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.405 7.653 3.352 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.057 7.236 3.762 1.00 44.44 H new ATOM 187 N PHE A 11 -10.863 5.003 -0.816 1.00 12.11 N ATOM 188 CA PHE A 11 -9.629 4.801 -1.557 1.00 25.15 C ATOM 189 C PHE A 11 -8.718 6.025 -1.447 1.00 3.34 C ATOM 190 O PHE A 11 -7.567 5.911 -1.025 1.00 13.02 O ATOM 191 CB PHE A 11 -10.015 4.596 -3.023 1.00 73.12 C ATOM 192 CG PHE A 11 -8.982 5.127 -4.018 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.949 4.335 -4.414 1.00 3.24 C ATOM 194 CD2 PHE A 11 -9.095 6.392 -4.508 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.991 4.827 -5.338 1.00 60.21 C ATOM 196 CE2 PHE A 11 -8.135 6.884 -5.431 1.00 0.24 C ATOM 197 CZ PHE A 11 -7.104 6.092 -5.826 1.00 72.02 C ATOM 0 H PHE A 11 -11.686 4.568 -1.232 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.090 3.943 -1.156 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.164 3.531 -3.203 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.970 5.088 -3.209 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -7.858 3.332 -4.025 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -9.915 7.021 -4.195 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.172 4.197 -5.654 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -8.224 7.888 -5.819 1.00 0.24 H new ATOM 0 HZ PHE A 11 -6.374 6.467 -6.528 1.00 72.02 H new ATOM 207 N GLU A 12 -9.265 7.168 -1.835 1.00 32.21 N ATOM 208 CA GLU A 12 -8.516 8.412 -1.785 1.00 43.50 C ATOM 209 C GLU A 12 -7.704 8.491 -0.490 1.00 41.32 C ATOM 210 O GLU A 12 -6.484 8.643 -0.527 1.00 72.13 O ATOM 211 CB GLU A 12 -9.447 9.618 -1.924 1.00 61.12 C ATOM 212 CG GLU A 12 -9.806 9.868 -3.389 1.00 72.25 C ATOM 213 CD GLU A 12 -11.099 9.142 -3.768 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.947 8.891 -2.898 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.207 8.837 -5.016 1.00 20.32 O ATOM 0 H GLU A 12 -10.219 7.258 -2.186 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.823 8.431 -2.626 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.356 9.448 -1.347 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -8.966 10.503 -1.508 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.922 10.938 -3.561 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -8.992 9.528 -4.030 1.00 72.25 H new ATOM 223 N LYS A 13 -8.413 8.384 0.623 1.00 5.43 N ATOM 224 CA LYS A 13 -7.774 8.441 1.927 1.00 64.41 C ATOM 225 C LYS A 13 -6.428 7.717 1.862 1.00 40.34 C ATOM 226 O LYS A 13 -5.440 8.185 2.428 1.00 3.22 O ATOM 227 CB LYS A 13 -8.712 7.902 3.008 1.00 65.01 C ATOM 228 CG LYS A 13 -9.130 9.011 3.976 1.00 14.12 C ATOM 229 CD LYS A 13 -8.159 9.108 5.153 1.00 72.31 C ATOM 230 CE LYS A 13 -8.785 8.541 6.429 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.647 9.502 7.546 1.00 34.20 N ATOM 0 H LYS A 13 -9.425 8.258 0.649 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.567 9.474 2.205 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.597 7.468 2.543 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.217 7.102 3.558 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.164 9.964 3.449 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -10.136 8.815 4.346 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.244 8.564 4.920 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.879 10.149 5.313 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.839 8.322 6.258 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -8.303 7.599 6.690 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.077 9.101 8.404 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.639 9.690 7.720 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -9.128 10.391 7.301 1.00 34.20 H new ATOM 245 N ARG A 14 -6.433 6.589 1.169 1.00 61.35 N ATOM 246 CA ARG A 14 -5.224 5.796 1.023 1.00 70.54 C ATOM 247 C ARG A 14 -4.219 6.519 0.125 1.00 72.40 C ATOM 248 O ARG A 14 -3.054 6.674 0.489 1.00 21.25 O ATOM 249 CB ARG A 14 -5.535 4.422 0.426 1.00 65.45 C ATOM 250 CG ARG A 14 -6.592 3.690 1.255 1.00 13.40 C ATOM 251 CD ARG A 14 -7.223 2.548 0.455 1.00 22.22 C ATOM 252 NE ARG A 14 -6.320 1.377 0.445 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.369 1.163 -0.489 1.00 43.14 C ATOM 254 NH1 ARG A 14 -5.190 2.041 -1.498 1.00 33.03 N ATOM 255 NH2 ARG A 14 -4.618 0.081 -0.401 1.00 2.22 N ATOM 0 H ARG A 14 -7.254 6.205 0.702 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.796 5.660 2.016 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.888 4.538 -0.599 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -4.624 3.825 0.384 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.137 3.294 2.163 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -7.366 4.392 1.566 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -8.183 2.274 0.893 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -7.420 2.874 -0.566 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.422 0.688 1.190 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -5.776 2.874 -1.559 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -4.469 1.872 -2.200 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -4.761 -0.578 0.364 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -3.895 -0.096 -1.098 1.00 2.22 H new ATOM 269 N LYS A 15 -4.705 6.942 -1.032 1.00 2.20 N ATOM 270 CA LYS A 15 -3.865 7.645 -1.986 1.00 31.35 C ATOM 271 C LYS A 15 -3.055 8.717 -1.251 1.00 5.31 C ATOM 272 O LYS A 15 -1.872 8.904 -1.529 1.00 31.23 O ATOM 273 CB LYS A 15 -4.705 8.193 -3.140 1.00 63.02 C ATOM 274 CG LYS A 15 -4.989 9.685 -2.952 1.00 33.43 C ATOM 275 CD LYS A 15 -5.961 10.197 -4.019 1.00 1.00 C ATOM 276 CE LYS A 15 -6.102 11.718 -3.946 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.660 12.248 -5.209 1.00 61.42 N ATOM 0 H LYS A 15 -5.671 6.811 -1.331 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.150 6.960 -2.442 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.181 8.035 -4.083 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.645 7.645 -3.202 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.408 9.857 -1.961 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.056 10.246 -3.005 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.606 9.908 -5.008 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.937 9.731 -3.881 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.750 11.989 -3.113 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.129 12.170 -3.753 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.749 13.282 -5.142 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.027 12.005 -5.997 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.597 11.830 -5.377 1.00 61.42 H new ATOM 291 N ALA A 16 -3.727 9.392 -0.330 1.00 43.45 N ATOM 292 CA ALA A 16 -3.085 10.440 0.446 1.00 33.41 C ATOM 293 C ALA A 16 -2.039 9.816 1.370 1.00 52.13 C ATOM 294 O ALA A 16 -0.987 10.406 1.613 1.00 11.03 O ATOM 295 CB ALA A 16 -4.146 11.229 1.215 1.00 50.03 C ATOM 0 H ALA A 16 -4.709 9.234 -0.104 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.569 11.141 -0.210 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.664 12.015 1.797 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.848 11.677 0.511 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.683 10.558 1.886 1.00 50.03 H new ATOM 301 N GLU A 17 -2.362 8.629 1.863 1.00 45.42 N ATOM 302 CA GLU A 17 -1.464 7.919 2.756 1.00 11.22 C ATOM 303 C GLU A 17 -0.182 7.525 2.017 1.00 13.51 C ATOM 304 O GLU A 17 0.919 7.851 2.460 1.00 44.12 O ATOM 305 CB GLU A 17 -2.148 6.690 3.360 1.00 32.21 C ATOM 306 CG GLU A 17 -1.139 5.807 4.095 1.00 41.44 C ATOM 307 CD GLU A 17 -0.659 6.479 5.383 1.00 1.55 C ATOM 308 OE1 GLU A 17 -0.871 7.687 5.569 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.045 5.701 6.209 1.00 63.21 O ATOM 0 H GLU A 17 -3.235 8.141 1.660 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.198 8.585 3.576 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -2.930 7.007 4.050 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.633 6.115 2.571 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.595 4.846 4.330 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.287 5.605 3.446 1.00 41.44 H new ATOM 317 N SER A 18 -0.369 6.831 0.906 1.00 32.43 N ATOM 318 CA SER A 18 0.757 6.389 0.100 1.00 63.41 C ATOM 319 C SER A 18 1.608 7.591 -0.314 1.00 73.40 C ATOM 320 O SER A 18 2.792 7.447 -0.613 1.00 73.04 O ATOM 321 CB SER A 18 0.285 5.623 -1.136 1.00 72.20 C ATOM 322 OG SER A 18 1.219 5.711 -2.209 1.00 23.24 O ATOM 0 H SER A 18 -1.284 6.563 0.543 1.00 32.43 H new ATOM 0 HA SER A 18 1.363 5.712 0.703 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.130 4.576 -0.876 1.00 72.20 H new ATOM 0 HB3 SER A 18 -0.678 6.017 -1.461 1.00 72.20 H new ATOM 0 HG SER A 18 1.284 4.842 -2.658 1.00 23.24 H new ATOM 328 N GLU A 19 0.969 8.753 -0.319 1.00 72.31 N ATOM 329 CA GLU A 19 1.652 9.980 -0.692 1.00 1.34 C ATOM 330 C GLU A 19 2.612 10.412 0.418 1.00 3.30 C ATOM 331 O GLU A 19 3.666 10.983 0.145 1.00 22.02 O ATOM 332 CB GLU A 19 0.648 11.089 -1.013 1.00 51.31 C ATOM 333 CG GLU A 19 0.138 10.968 -2.450 1.00 25.43 C ATOM 334 CD GLU A 19 1.046 11.724 -3.422 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.337 11.221 -4.517 1.00 65.44 O ATOM 336 OE2 GLU A 19 1.455 12.874 -3.004 1.00 13.54 O ATOM 0 H GLU A 19 -0.013 8.870 -0.071 1.00 72.31 H new ATOM 0 HA GLU A 19 2.234 9.790 -1.594 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.192 11.036 -0.320 1.00 51.31 H new ATOM 0 HB3 GLU A 19 1.118 12.062 -0.871 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.090 9.917 -2.735 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -0.876 11.362 -2.514 1.00 25.43 H new ATOM 344 N ARG A 20 2.210 10.124 1.648 1.00 64.42 N ATOM 345 CA ARG A 20 3.022 10.477 2.801 1.00 61.32 C ATOM 346 C ARG A 20 3.960 9.324 3.162 1.00 72.54 C ATOM 347 O ARG A 20 5.010 9.539 3.765 1.00 12.42 O ATOM 348 CB ARG A 20 2.144 10.808 4.009 1.00 21.21 C ATOM 349 CG ARG A 20 1.198 11.969 3.700 1.00 4.23 C ATOM 350 CD ARG A 20 0.414 12.385 4.946 1.00 54.55 C ATOM 351 NE ARG A 20 -0.060 11.186 5.670 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.398 11.176 6.977 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.316 12.303 7.716 1.00 61.44 N ATOM 354 NH2 ARG A 20 -0.809 10.046 7.523 1.00 74.03 N ATOM 0 H ARG A 20 1.334 9.651 1.871 1.00 64.42 H new ATOM 0 HA ARG A 20 3.608 11.358 2.538 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.565 9.929 4.294 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.774 11.065 4.861 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.769 12.818 3.325 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.505 11.678 2.911 1.00 4.23 H new ATOM 0 HD2 ARG A 20 1.046 12.988 5.599 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.435 13.007 4.661 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.136 10.312 5.150 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.003 13.172 7.287 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.574 12.286 8.703 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -0.867 9.198 6.959 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -1.068 10.021 8.509 1.00 74.03 H new ATOM 368 N ILE A 21 3.550 8.124 2.775 1.00 62.20 N ATOM 369 CA ILE A 21 4.341 6.938 3.049 1.00 14.54 C ATOM 370 C ILE A 21 5.720 7.089 2.405 1.00 33.24 C ATOM 371 O ILE A 21 6.677 6.436 2.818 1.00 12.23 O ATOM 372 CB ILE A 21 3.591 5.678 2.609 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.541 5.274 3.646 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.565 4.540 2.304 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.831 3.984 3.233 1.00 64.42 C ATOM 0 H ILE A 21 2.679 7.949 2.273 1.00 62.20 H new ATOM 0 HA ILE A 21 4.500 6.827 4.122 1.00 14.54 H new ATOM 0 HB ILE A 21 3.059 5.902 1.685 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.017 5.136 4.617 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.810 6.075 3.760 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.007 3.657 1.994 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.239 4.843 1.503 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.144 4.308 3.198 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.090 3.719 3.987 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.335 4.133 2.274 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.561 3.180 3.143 1.00 64.42 H new ATOM 387 N ALA A 22 5.778 7.956 1.405 1.00 53.32 N ATOM 388 CA ALA A 22 7.025 8.201 0.699 1.00 24.25 C ATOM 389 C ALA A 22 7.908 9.125 1.539 1.00 24.12 C ATOM 390 O ALA A 22 9.129 9.127 1.390 1.00 11.34 O ATOM 391 CB ALA A 22 6.722 8.782 -0.685 1.00 5.11 C ATOM 0 H ALA A 22 4.982 8.497 1.067 1.00 53.32 H new ATOM 0 HA ALA A 22 7.571 7.270 0.549 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.657 8.966 -1.215 1.00 5.11 H new ATOM 0 HB2 ALA A 22 6.117 8.075 -1.252 1.00 5.11 H new ATOM 0 HB3 ALA A 22 6.177 9.719 -0.575 1.00 5.11 H new ATOM 397 N ASP A 23 7.256 9.890 2.403 1.00 25.10 N ATOM 398 CA ASP A 23 7.967 10.817 3.267 1.00 52.05 C ATOM 399 C ASP A 23 8.361 10.102 4.560 1.00 73.32 C ATOM 400 O ASP A 23 9.321 10.493 5.224 1.00 52.31 O ATOM 401 CB ASP A 23 7.084 12.010 3.637 1.00 42.33 C ATOM 402 CG ASP A 23 7.660 12.929 4.718 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.499 13.797 4.438 1.00 25.13 O ATOM 404 OD2 ASP A 23 7.205 12.721 5.907 1.00 10.42 O ATOM 0 H ASP A 23 6.243 9.887 2.523 1.00 25.10 H new ATOM 0 HA ASP A 23 8.847 11.171 2.731 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.901 12.600 2.739 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.117 11.637 3.976 1.00 42.33 H new ATOM 410 N ARG A 24 7.602 9.065 4.880 1.00 2.03 N ATOM 411 CA ARG A 24 7.861 8.289 6.083 1.00 72.20 C ATOM 412 C ARG A 24 8.690 7.049 5.746 1.00 42.41 C ATOM 413 O ARG A 24 9.810 6.895 6.234 1.00 42.21 O ATOM 414 CB ARG A 24 6.554 7.855 6.750 1.00 3.23 C ATOM 415 CG ARG A 24 6.290 8.669 8.018 1.00 41.44 C ATOM 416 CD ARG A 24 4.821 8.573 8.437 1.00 53.35 C ATOM 417 NE ARG A 24 4.711 8.617 9.912 1.00 3.11 N ATOM 418 CZ ARG A 24 3.695 8.069 10.613 1.00 64.41 C ATOM 419 NH1 ARG A 24 2.693 7.427 9.975 1.00 24.30 N ATOM 420 NH2 ARG A 24 3.697 8.170 11.928 1.00 54.54 N ATOM 0 H ARG A 24 6.807 8.743 4.328 1.00 2.03 H new ATOM 0 HA ARG A 24 8.415 8.924 6.774 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.726 7.982 6.053 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.602 6.795 6.998 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.926 8.307 8.826 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.555 9.712 7.846 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.255 9.394 7.997 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.386 7.648 8.059 1.00 53.35 H new ATOM 0 HE ARG A 24 5.449 9.091 10.432 1.00 3.11 H new ATOM 0 HH11 ARG A 24 2.700 7.354 8.958 1.00 24.30 H new ATOM 0 HH12 ARG A 24 1.929 7.015 10.510 1.00 24.30 H new ATOM 0 HH21 ARG A 24 4.459 8.657 12.401 1.00 54.54 H new ATOM 0 HH22 ARG A 24 2.937 7.762 12.472 1.00 54.54 H new ATOM 434 N PHE A 25 8.110 6.196 4.916 1.00 64.32 N ATOM 435 CA PHE A 25 8.782 4.973 4.509 1.00 21.45 C ATOM 436 C PHE A 25 9.014 4.951 2.997 1.00 22.31 C ATOM 437 O PHE A 25 8.280 4.293 2.262 1.00 4.20 O ATOM 438 CB PHE A 25 7.862 3.810 4.888 1.00 21.33 C ATOM 439 CG PHE A 25 7.052 4.048 6.164 1.00 40.00 C ATOM 440 CD1 PHE A 25 7.691 4.283 7.341 1.00 31.32 C ATOM 441 CD2 PHE A 25 5.693 4.024 6.121 1.00 62.14 C ATOM 442 CE1 PHE A 25 6.939 4.504 8.526 1.00 64.13 C ATOM 443 CE2 PHE A 25 4.941 4.246 7.305 1.00 33.12 C ATOM 444 CZ PHE A 25 5.580 4.481 8.482 1.00 35.34 C ATOM 0 H PHE A 25 7.182 6.327 4.514 1.00 64.32 H new ATOM 0 HA PHE A 25 9.753 4.902 5.000 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.175 3.620 4.064 1.00 21.33 H new ATOM 0 HB3 PHE A 25 8.464 2.910 5.015 1.00 21.33 H new ATOM 0 HD1 PHE A 25 8.770 4.302 7.375 1.00 31.32 H new ATOM 0 HD2 PHE A 25 5.186 3.836 5.186 1.00 62.14 H new ATOM 0 HE1 PHE A 25 7.446 4.690 9.461 1.00 64.13 H new ATOM 0 HE2 PHE A 25 3.862 4.228 7.271 1.00 33.12 H new ATOM 0 HZ PHE A 25 5.008 4.649 9.382 1.00 35.34 H new ATOM 454 N PRO A 26 10.065 5.700 2.567 1.00 41.11 N ATOM 455 CA PRO A 26 10.403 5.774 1.155 1.00 13.25 C ATOM 456 C PRO A 26 11.083 4.486 0.687 1.00 62.02 C ATOM 457 O PRO A 26 10.866 4.039 -0.439 1.00 74.20 O ATOM 458 CB PRO A 26 11.294 6.997 1.027 1.00 14.12 C ATOM 459 CG PRO A 26 11.801 7.293 2.430 1.00 11.53 C ATOM 460 CD PRO A 26 10.956 6.494 3.409 1.00 22.31 C ATOM 0 HA PRO A 26 9.525 5.870 0.516 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.122 6.807 0.345 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.738 7.845 0.626 1.00 14.12 H new ATOM 0 HG2 PRO A 26 12.852 7.020 2.522 1.00 11.53 H new ATOM 0 HG3 PRO A 26 11.729 8.359 2.645 1.00 11.53 H new ATOM 0 HD2 PRO A 26 11.576 5.857 4.040 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.393 7.150 4.073 1.00 22.31 H new ATOM 468 N ASN A 27 11.892 3.925 1.573 1.00 3.54 N ATOM 469 CA ASN A 27 12.606 2.698 1.264 1.00 53.31 C ATOM 470 C ASN A 27 11.754 1.498 1.685 1.00 42.04 C ATOM 471 O ASN A 27 12.275 0.517 2.213 1.00 41.30 O ATOM 472 CB ASN A 27 13.932 2.626 2.024 1.00 71.12 C ATOM 473 CG ASN A 27 14.699 3.945 1.915 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.667 4.630 0.905 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.391 4.261 3.006 1.00 54.31 N ATOM 0 H ASN A 27 12.069 4.298 2.506 1.00 3.54 H new ATOM 0 HA ASN A 27 12.804 2.683 0.192 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.742 2.397 3.073 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.540 1.814 1.626 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.938 5.121 3.031 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.374 3.643 3.817 1.00 54.31 H new ATOM 482 N ARG A 28 10.458 1.617 1.435 1.00 14.04 N ATOM 483 CA ARG A 28 9.529 0.555 1.781 1.00 70.34 C ATOM 484 C ARG A 28 8.655 0.200 0.576 1.00 20.11 C ATOM 485 O ARG A 28 8.814 0.774 -0.500 1.00 11.54 O ATOM 486 CB ARG A 28 8.631 0.966 2.949 1.00 32.42 C ATOM 487 CG ARG A 28 9.331 0.730 4.289 1.00 75.13 C ATOM 488 CD ARG A 28 9.843 -0.709 4.393 1.00 41.41 C ATOM 489 NE ARG A 28 9.814 -1.154 5.803 1.00 33.42 N ATOM 490 CZ ARG A 28 10.598 -0.641 6.776 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.478 0.344 6.497 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.489 -1.115 8.003 1.00 71.52 N ATOM 0 H ARG A 28 10.030 2.433 0.997 1.00 14.04 H new ATOM 0 HA ARG A 28 10.116 -0.314 2.078 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.364 2.019 2.854 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.702 0.398 2.915 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.164 1.425 4.396 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.639 0.934 5.106 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.227 -1.368 3.782 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.859 -0.771 4.004 1.00 41.41 H new ATOM 0 HE ARG A 28 9.161 -1.895 6.057 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.554 0.706 5.546 1.00 25.31 H new ATOM 0 HH12 ARG A 28 12.067 0.727 7.237 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.820 -1.858 8.205 1.00 71.52 H new ATOM 0 HH22 ARG A 28 11.074 -0.738 8.749 1.00 71.52 H new ATOM 506 N ILE A 29 7.753 -0.744 0.797 1.00 73.21 N ATOM 507 CA ILE A 29 6.855 -1.183 -0.257 1.00 73.02 C ATOM 508 C ILE A 29 5.469 -1.444 0.335 1.00 4.10 C ATOM 509 O ILE A 29 5.229 -2.498 0.923 1.00 71.12 O ATOM 510 CB ILE A 29 7.445 -2.385 -0.999 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.833 -2.062 -1.553 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.490 -2.877 -2.089 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.744 -1.052 -2.699 1.00 4.23 C ATOM 0 H ILE A 29 7.625 -1.218 1.691 1.00 73.21 H new ATOM 0 HA ILE A 29 6.738 -0.401 -1.008 1.00 73.02 H new ATOM 0 HB ILE A 29 7.568 -3.201 -0.286 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.462 -1.661 -0.758 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.310 -2.977 -1.906 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.932 -3.731 -2.602 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.544 -3.175 -1.637 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.313 -2.076 -2.806 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.745 -0.839 -3.075 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.135 -1.466 -3.502 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.289 -0.130 -2.337 1.00 4.23 H new ATOM 525 N PRO A 30 4.569 -0.439 0.156 1.00 11.44 N ATOM 526 CA PRO A 30 3.213 -0.551 0.666 1.00 41.20 C ATOM 527 C PRO A 30 2.379 -1.500 -0.196 1.00 64.02 C ATOM 528 O PRO A 30 2.221 -1.278 -1.395 1.00 31.24 O ATOM 529 CB PRO A 30 2.678 0.871 0.673 1.00 23.13 C ATOM 530 CG PRO A 30 3.579 1.661 -0.263 1.00 14.13 C ATOM 531 CD PRO A 30 4.817 0.822 -0.534 1.00 23.23 C ATOM 0 HA PRO A 30 3.174 -0.982 1.666 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.642 0.900 0.335 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.697 1.290 1.679 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.059 1.886 -1.194 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.855 2.615 0.187 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.963 0.666 -1.603 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.716 1.310 -0.157 1.00 23.23 H new ATOM 539 N VAL A 31 1.866 -2.537 0.449 1.00 35.55 N ATOM 540 CA VAL A 31 1.051 -3.521 -0.244 1.00 53.01 C ATOM 541 C VAL A 31 -0.179 -3.849 0.606 1.00 30.13 C ATOM 542 O VAL A 31 -0.285 -3.402 1.747 1.00 73.51 O ATOM 543 CB VAL A 31 1.892 -4.755 -0.580 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.324 -4.358 -0.947 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.880 -5.758 0.576 1.00 45.11 C ATOM 0 H VAL A 31 1.999 -2.718 1.444 1.00 35.55 H new ATOM 0 HA VAL A 31 0.693 -3.120 -1.192 1.00 53.01 H new ATOM 0 HB VAL A 31 1.445 -5.240 -1.448 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.901 -5.253 -1.181 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.308 -3.699 -1.815 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.785 -3.839 -0.106 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.485 -6.625 0.311 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.291 -5.288 1.470 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.856 -6.076 0.771 1.00 45.11 H new ATOM 555 N ILE A 32 -1.074 -4.627 0.017 1.00 65.24 N ATOM 556 CA ILE A 32 -2.292 -5.021 0.707 1.00 51.12 C ATOM 557 C ILE A 32 -2.528 -6.519 0.503 1.00 43.11 C ATOM 558 O ILE A 32 -2.968 -6.942 -0.564 1.00 14.33 O ATOM 559 CB ILE A 32 -3.466 -4.148 0.260 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.073 -2.669 0.240 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.699 -4.401 1.128 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.014 -2.098 1.658 1.00 50.14 C ATOM 0 H ILE A 32 -0.981 -4.995 -0.930 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.192 -4.857 1.780 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.729 -4.426 -0.761 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.103 -2.553 -0.243 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.793 -2.106 -0.353 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.519 -3.768 0.789 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.992 -5.448 1.048 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.466 -4.168 2.167 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.733 -1.046 1.615 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.992 -2.193 2.130 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.275 -2.648 2.241 1.00 50.14 H new ATOM 574 N CYS A 33 -2.223 -7.280 1.544 1.00 2.21 N ATOM 575 CA CYS A 33 -2.395 -8.722 1.493 1.00 35.42 C ATOM 576 C CYS A 33 -3.829 -9.049 1.912 1.00 3.32 C ATOM 577 O CYS A 33 -4.307 -8.563 2.937 1.00 43.20 O ATOM 578 CB CYS A 33 -1.367 -9.445 2.364 1.00 33.30 C ATOM 579 SG CYS A 33 -1.030 -11.111 1.681 1.00 13.01 S ATOM 0 H CYS A 33 -1.858 -6.925 2.428 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.225 -9.076 0.476 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.444 -8.867 2.407 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -1.738 -9.530 3.385 1.00 33.30 H new ATOM 0 HG CYS A 33 0.158 -11.132 1.154 1.00 13.01 H new ATOM 585 N GLU A 34 -4.478 -9.870 1.101 1.00 15.11 N ATOM 586 CA GLU A 34 -5.848 -10.268 1.374 1.00 60.01 C ATOM 587 C GLU A 34 -6.082 -11.712 0.925 1.00 42.00 C ATOM 588 O GLU A 34 -5.307 -12.255 0.138 1.00 21.50 O ATOM 589 CB GLU A 34 -6.841 -9.317 0.701 1.00 74.13 C ATOM 590 CG GLU A 34 -8.184 -9.320 1.431 1.00 21.12 C ATOM 591 CD GLU A 34 -9.148 -10.330 0.803 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.200 -10.451 -0.430 1.00 61.31 O ATOM 593 OE2 GLU A 34 -9.857 -11.004 1.644 1.00 64.42 O ATOM 0 H GLU A 34 -4.079 -10.272 0.252 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.013 -10.211 2.450 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.432 -8.307 0.690 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.987 -9.614 -0.338 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.030 -9.564 2.482 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.623 -8.323 1.396 1.00 21.12 H new ATOM 601 N LYS A 35 -7.153 -12.293 1.444 1.00 12.15 N ATOM 602 CA LYS A 35 -7.498 -13.663 1.107 1.00 74.11 C ATOM 603 C LYS A 35 -8.627 -13.660 0.072 1.00 65.13 C ATOM 604 O LYS A 35 -9.612 -12.943 0.225 1.00 52.34 O ATOM 605 CB LYS A 35 -7.826 -14.461 2.371 1.00 54.43 C ATOM 606 CG LYS A 35 -7.419 -15.928 2.215 1.00 11.23 C ATOM 607 CD LYS A 35 -8.526 -16.734 1.533 1.00 11.40 C ATOM 608 CE LYS A 35 -9.707 -16.953 2.481 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.468 -18.162 2.091 1.00 23.43 N ATOM 0 H LYS A 35 -7.794 -11.840 2.096 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.647 -14.168 0.651 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.308 -14.025 3.225 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.894 -14.396 2.579 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.502 -15.995 1.629 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.203 -16.356 3.194 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.865 -16.210 0.639 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.132 -17.697 1.208 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.345 -17.058 3.504 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.362 -16.082 2.463 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -10.799 -18.655 2.945 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -11.286 -17.885 1.512 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -9.854 -18.796 1.541 1.00 23.43 H new ATOM 623 N ALA A 36 -8.442 -14.473 -0.959 1.00 44.15 N ATOM 624 CA ALA A 36 -9.431 -14.572 -2.019 1.00 42.21 C ATOM 625 C ALA A 36 -10.758 -15.053 -1.428 1.00 35.03 C ATOM 626 O ALA A 36 -10.847 -15.324 -0.231 1.00 61.54 O ATOM 627 CB ALA A 36 -8.912 -15.503 -3.117 1.00 55.13 C ATOM 0 H ALA A 36 -7.623 -15.068 -1.082 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.605 -13.597 -2.473 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.654 -15.577 -3.912 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.983 -15.103 -3.524 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.729 -16.493 -2.698 1.00 55.13 H new ATOM 633 N GLU A 37 -11.757 -15.142 -2.293 1.00 33.15 N ATOM 634 CA GLU A 37 -13.076 -15.584 -1.871 1.00 72.10 C ATOM 635 C GLU A 37 -13.248 -17.079 -2.150 1.00 21.01 C ATOM 636 O GLU A 37 -13.642 -17.836 -1.266 1.00 64.00 O ATOM 637 CB GLU A 37 -14.173 -14.769 -2.559 1.00 2.12 C ATOM 638 CG GLU A 37 -14.214 -15.060 -4.061 1.00 54.13 C ATOM 639 CD GLU A 37 -15.118 -14.062 -4.788 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.162 -13.666 -4.251 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.699 -13.696 -5.953 1.00 23.54 O ATOM 0 H GLU A 37 -11.680 -14.916 -3.285 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.167 -15.421 -0.797 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.139 -15.004 -2.113 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.997 -13.706 -2.396 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.206 -15.010 -4.472 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.577 -16.074 -4.229 1.00 54.13 H new ATOM 649 N LYS A 38 -12.944 -17.458 -3.383 1.00 32.50 N ATOM 650 CA LYS A 38 -13.060 -18.848 -3.788 1.00 70.13 C ATOM 651 C LYS A 38 -12.269 -19.727 -2.816 1.00 34.33 C ATOM 652 O LYS A 38 -12.685 -20.840 -2.500 1.00 61.34 O ATOM 653 CB LYS A 38 -12.642 -19.017 -5.250 1.00 31.21 C ATOM 654 CG LYS A 38 -13.523 -18.173 -6.173 1.00 30.31 C ATOM 655 CD LYS A 38 -13.088 -18.321 -7.633 1.00 62.11 C ATOM 656 CE LYS A 38 -13.585 -17.144 -8.475 1.00 24.23 C ATOM 657 NZ LYS A 38 -15.063 -17.096 -8.477 1.00 2.33 N ATOM 0 H LYS A 38 -12.618 -16.826 -4.114 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.099 -19.173 -3.738 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.599 -18.725 -5.370 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.713 -20.067 -5.533 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.564 -18.478 -6.067 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.467 -17.125 -5.877 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.001 -18.379 -7.688 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.478 -19.254 -8.040 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.186 -16.211 -8.078 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -13.217 -17.239 -9.497 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -15.385 -16.356 -9.133 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.440 -18.016 -8.781 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.405 -16.882 -7.518 1.00 2.33 H new ATOM 671 N SER A 39 -11.142 -19.192 -2.370 1.00 31.52 N ATOM 672 CA SER A 39 -10.289 -19.912 -1.440 1.00 23.13 C ATOM 673 C SER A 39 -11.129 -20.489 -0.299 1.00 61.22 C ATOM 674 O SER A 39 -12.271 -20.080 -0.094 1.00 52.33 O ATOM 675 CB SER A 39 -9.190 -19.004 -0.884 1.00 23.31 C ATOM 676 OG SER A 39 -8.009 -19.733 -0.560 1.00 4.43 O ATOM 0 H SER A 39 -10.800 -18.268 -2.635 1.00 31.52 H new ATOM 0 HA SER A 39 -9.809 -20.729 -1.979 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.951 -18.233 -1.617 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.557 -18.494 0.007 1.00 23.31 H new ATOM 0 HG SER A 39 -8.176 -20.692 -0.670 1.00 4.43 H new ATOM 682 N ASP A 40 -10.529 -21.430 0.416 1.00 65.12 N ATOM 683 CA ASP A 40 -11.207 -22.069 1.532 1.00 2.54 C ATOM 684 C ASP A 40 -10.317 -21.993 2.775 1.00 55.42 C ATOM 685 O ASP A 40 -10.457 -22.800 3.692 1.00 54.00 O ATOM 686 CB ASP A 40 -11.485 -23.543 1.237 1.00 11.34 C ATOM 687 CG ASP A 40 -12.405 -23.803 0.042 1.00 55.40 C ATOM 688 OD1 ASP A 40 -11.944 -24.156 -1.054 1.00 20.22 O ATOM 689 OD2 ASP A 40 -13.661 -23.626 0.274 1.00 14.32 O ATOM 0 H ASP A 40 -9.581 -21.765 0.244 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.152 -21.551 1.694 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -10.535 -24.048 1.061 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.928 -23.998 2.123 1.00 11.34 H new ATOM 695 N ILE A 41 -9.421 -21.017 2.763 1.00 65.22 N ATOM 696 CA ILE A 41 -8.509 -20.825 3.878 1.00 75.43 C ATOM 697 C ILE A 41 -9.041 -19.711 4.782 1.00 34.44 C ATOM 698 O ILE A 41 -9.949 -18.976 4.398 1.00 24.44 O ATOM 699 CB ILE A 41 -7.087 -20.579 3.370 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.784 -19.080 3.296 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.855 -21.278 2.029 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.628 -18.803 2.333 1.00 2.30 C ATOM 0 H ILE A 41 -9.307 -20.351 1.999 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.454 -21.729 4.485 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.388 -21.014 4.084 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.673 -18.541 2.968 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.533 -18.706 4.289 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.837 -21.087 1.690 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -7.003 -22.351 2.148 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.560 -20.894 1.292 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.432 -17.731 2.298 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.735 -19.324 2.677 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.892 -19.156 1.336 1.00 2.30 H new ATOM 714 N PRO A 42 -8.438 -19.620 5.997 1.00 50.44 N ATOM 715 CA PRO A 42 -8.841 -18.609 6.959 1.00 24.42 C ATOM 716 C PRO A 42 -8.315 -17.229 6.556 1.00 24.50 C ATOM 717 O PRO A 42 -7.109 -16.990 6.579 1.00 43.12 O ATOM 718 CB PRO A 42 -8.289 -19.089 8.291 1.00 64.40 C ATOM 719 CG PRO A 42 -7.208 -20.102 7.952 1.00 30.21 C ATOM 720 CD PRO A 42 -7.360 -20.475 6.487 1.00 32.44 C ATOM 0 HA PRO A 42 -9.923 -18.488 7.013 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.880 -18.259 8.866 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.073 -19.542 8.898 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.220 -19.682 8.138 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.302 -20.986 8.583 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.436 -20.302 5.936 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.607 -21.530 6.371 1.00 32.44 H new ATOM 728 N GLU A 43 -9.247 -16.357 6.198 1.00 42.44 N ATOM 729 CA GLU A 43 -8.894 -15.008 5.791 1.00 50.22 C ATOM 730 C GLU A 43 -8.150 -14.291 6.921 1.00 11.31 C ATOM 731 O GLU A 43 -8.194 -14.725 8.070 1.00 21.42 O ATOM 732 CB GLU A 43 -10.133 -14.221 5.365 1.00 1.13 C ATOM 733 CG GLU A 43 -9.743 -12.907 4.685 1.00 32.10 C ATOM 734 CD GLU A 43 -10.885 -12.377 3.816 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.603 -13.170 3.188 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.012 -11.094 3.804 1.00 12.44 O ATOM 0 H GLU A 43 -10.247 -16.559 6.182 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.231 -15.072 4.928 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -10.733 -14.823 4.683 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -10.753 -14.013 6.237 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.483 -12.166 5.441 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -8.856 -13.061 4.071 1.00 32.10 H new ATOM 744 N ILE A 44 -7.486 -13.205 6.553 1.00 60.22 N ATOM 745 CA ILE A 44 -6.735 -12.424 7.521 1.00 23.32 C ATOM 746 C ILE A 44 -7.682 -11.465 8.241 1.00 4.52 C ATOM 747 O ILE A 44 -8.835 -11.305 7.839 1.00 3.42 O ATOM 748 CB ILE A 44 -5.552 -11.728 6.844 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.656 -11.042 7.877 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.033 -10.754 5.765 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.252 -10.806 7.315 1.00 33.21 C ATOM 0 H ILE A 44 -7.453 -12.848 5.598 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.301 -13.074 8.281 1.00 23.32 H new ATOM 0 HB ILE A 44 -4.948 -12.487 6.347 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.098 -10.090 8.172 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.594 -11.657 8.775 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.173 -10.273 5.300 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.597 -11.299 5.008 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.672 -9.996 6.218 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.636 -10.317 8.069 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.803 -11.762 7.043 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.316 -10.171 6.431 1.00 33.21 H new ATOM 763 N ASP A 45 -7.164 -10.850 9.294 1.00 33.03 N ATOM 764 CA ASP A 45 -7.951 -9.910 10.076 1.00 71.14 C ATOM 765 C ASP A 45 -8.162 -8.630 9.264 1.00 0.43 C ATOM 766 O ASP A 45 -9.280 -8.128 9.169 1.00 74.13 O ATOM 767 CB ASP A 45 -7.232 -9.534 11.372 1.00 41.02 C ATOM 768 CG ASP A 45 -7.516 -10.457 12.560 1.00 61.43 C ATOM 769 OD1 ASP A 45 -8.679 -10.715 12.904 1.00 63.25 O ATOM 770 OD2 ASP A 45 -6.468 -10.925 13.149 1.00 2.34 O ATOM 0 H ASP A 45 -6.208 -10.984 9.625 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.902 -10.385 10.316 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.158 -9.527 11.185 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.515 -8.517 11.645 1.00 41.02 H new ATOM 776 N LYS A 46 -7.068 -8.140 8.699 1.00 54.04 N ATOM 777 CA LYS A 46 -7.119 -6.928 7.898 1.00 51.14 C ATOM 778 C LYS A 46 -6.150 -7.058 6.722 1.00 4.32 C ATOM 779 O LYS A 46 -5.258 -7.906 6.737 1.00 25.51 O ATOM 780 CB LYS A 46 -6.864 -5.698 8.772 1.00 35.22 C ATOM 781 CG LYS A 46 -5.902 -6.027 9.916 1.00 72.31 C ATOM 782 CD LYS A 46 -4.533 -6.448 9.380 1.00 10.44 C ATOM 783 CE LYS A 46 -3.556 -6.727 10.522 1.00 5.34 C ATOM 784 NZ LYS A 46 -4.282 -7.224 11.714 1.00 3.44 N ATOM 0 H LYS A 46 -6.142 -8.560 8.780 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.115 -6.791 7.477 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.449 -4.895 8.163 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.808 -5.335 9.179 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.791 -5.157 10.563 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.319 -6.828 10.527 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.640 -7.340 8.763 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.133 -5.662 8.739 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.817 -7.463 10.205 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.011 -5.817 10.773 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -3.605 -7.645 12.382 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -4.776 -6.433 12.174 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.975 -7.943 11.424 1.00 3.44 H new ATOM 798 N ARG A 47 -6.357 -6.206 5.729 1.00 22.33 N ATOM 799 CA ARG A 47 -5.513 -6.215 4.546 1.00 73.31 C ATOM 800 C ARG A 47 -4.606 -4.985 4.532 1.00 10.15 C ATOM 801 O ARG A 47 -5.005 -3.917 4.073 1.00 4.24 O ATOM 802 CB ARG A 47 -6.356 -6.232 3.268 1.00 1.04 C ATOM 803 CG ARG A 47 -7.157 -4.937 3.123 1.00 52.44 C ATOM 804 CD ARG A 47 -8.458 -5.180 2.354 1.00 32.42 C ATOM 805 NE ARG A 47 -8.204 -6.070 1.199 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.951 -6.083 0.074 1.00 51.53 C ATOM 807 NH1 ARG A 47 -10.007 -5.252 -0.056 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.633 -6.919 -0.895 1.00 1.01 N ATOM 0 H ARG A 47 -7.097 -5.504 5.719 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.905 -7.119 4.580 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.707 -6.362 2.402 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -7.036 -7.084 3.288 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.384 -4.533 4.110 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.557 -4.190 2.603 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.201 -5.629 3.013 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.869 -4.231 2.009 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.415 -6.714 1.256 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -10.245 -4.608 0.699 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.566 -5.268 -0.909 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.833 -7.543 -0.788 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.187 -6.942 -1.751 1.00 1.01 H new ATOM 822 N LYS A 48 -3.397 -5.176 5.042 1.00 32.22 N ATOM 823 CA LYS A 48 -2.427 -4.095 5.094 1.00 13.13 C ATOM 824 C LYS A 48 -1.050 -4.667 5.440 1.00 65.41 C ATOM 825 O LYS A 48 -0.885 -5.315 6.472 1.00 32.21 O ATOM 826 CB LYS A 48 -2.897 -3.001 6.056 1.00 2.52 C ATOM 827 CG LYS A 48 -2.708 -1.613 5.438 1.00 31.03 C ATOM 828 CD LYS A 48 -1.318 -1.475 4.815 1.00 5.15 C ATOM 829 CE LYS A 48 -0.958 -0.003 4.598 1.00 62.34 C ATOM 830 NZ LYS A 48 -1.685 0.542 3.429 1.00 61.43 N ATOM 0 H LYS A 48 -3.068 -6.063 5.423 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.338 -3.615 4.119 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.948 -3.154 6.302 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -2.338 -3.067 6.990 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -3.470 -1.443 4.677 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -2.845 -0.849 6.203 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.577 -1.943 5.463 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.288 -2.005 3.863 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -1.206 0.573 5.489 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.117 0.096 4.444 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 -1.592 1.578 3.415 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -1.283 0.146 2.555 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -2.691 0.285 3.495 1.00 61.43 H new ATOM 844 N TYR A 49 -0.098 -4.407 4.556 1.00 55.14 N ATOM 845 CA TYR A 49 1.258 -4.887 4.753 1.00 61.12 C ATOM 846 C TYR A 49 2.278 -3.901 4.182 1.00 45.23 C ATOM 847 O TYR A 49 2.137 -3.442 3.049 1.00 72.34 O ATOM 848 CB TYR A 49 1.355 -6.205 3.982 1.00 0.44 C ATOM 849 CG TYR A 49 0.797 -7.413 4.741 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.565 -7.626 4.791 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.656 -8.286 5.376 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.091 -8.762 5.505 1.00 10.22 C ATOM 853 CE2 TYR A 49 1.131 -9.421 6.090 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.217 -9.603 6.118 1.00 11.31 C ATOM 855 OH TYR A 49 -0.713 -10.675 6.792 1.00 30.03 O ATOM 0 H TYR A 49 -0.240 -3.869 3.701 1.00 55.14 H new ATOM 0 HA TYR A 49 1.471 -5.006 5.815 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.819 -6.102 3.038 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.400 -6.394 3.736 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.237 -6.941 4.295 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.722 -8.118 5.338 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.155 -8.941 5.552 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.792 -10.112 6.592 1.00 40.03 H new ATOM 0 HH TYR A 49 0.026 -11.189 7.179 1.00 30.03 H new ATOM 865 N LEU A 50 3.284 -3.604 4.992 1.00 74.33 N ATOM 866 CA LEU A 50 4.327 -2.680 4.582 1.00 43.30 C ATOM 867 C LEU A 50 5.643 -3.442 4.420 1.00 30.44 C ATOM 868 O LEU A 50 6.514 -3.372 5.286 1.00 14.21 O ATOM 869 CB LEU A 50 4.413 -1.502 5.554 1.00 73.54 C ATOM 870 CG LEU A 50 3.440 -0.350 5.300 1.00 22.24 C ATOM 871 CD1 LEU A 50 3.994 0.967 5.849 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.087 -0.247 3.814 1.00 4.24 C ATOM 0 H LEU A 50 3.398 -3.987 5.930 1.00 74.33 H new ATOM 0 HA LEU A 50 4.089 -2.244 3.611 1.00 43.30 H new ATOM 0 HB2 LEU A 50 4.245 -1.877 6.564 1.00 73.54 H new ATOM 0 HB3 LEU A 50 5.428 -1.107 5.525 1.00 73.54 H new ATOM 0 HG LEU A 50 2.515 -0.560 5.837 1.00 22.24 H new ATOM 0 HD11 LEU A 50 3.283 1.770 5.655 1.00 24.21 H new ATOM 0 HD12 LEU A 50 4.153 0.875 6.923 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.941 1.195 5.360 1.00 24.21 H new ATOM 0 HD21 LEU A 50 2.394 0.580 3.661 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.994 -0.072 3.236 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.621 -1.176 3.485 1.00 4.24 H new ATOM 884 N VAL A 51 5.747 -4.152 3.307 1.00 34.04 N ATOM 885 CA VAL A 51 6.943 -4.928 3.022 1.00 63.40 C ATOM 886 C VAL A 51 8.040 -3.995 2.507 1.00 40.31 C ATOM 887 O VAL A 51 7.751 -2.991 1.856 1.00 53.13 O ATOM 888 CB VAL A 51 6.613 -6.059 2.046 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.694 -7.094 2.697 1.00 22.24 C ATOM 890 CG2 VAL A 51 5.996 -5.509 0.758 1.00 42.33 C ATOM 0 H VAL A 51 5.023 -4.207 2.591 1.00 34.04 H new ATOM 0 HA VAL A 51 7.318 -5.400 3.930 1.00 63.40 H new ATOM 0 HB VAL A 51 7.546 -6.558 1.783 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.475 -7.887 1.982 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.187 -7.520 3.571 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.764 -6.614 3.003 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.771 -6.333 0.081 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.077 -4.973 0.995 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.700 -4.829 0.279 1.00 42.33 H new ATOM 900 N PRO A 52 9.309 -4.367 2.825 1.00 31.35 N ATOM 901 CA PRO A 52 10.450 -3.576 2.401 1.00 52.22 C ATOM 902 C PRO A 52 10.730 -3.770 0.910 1.00 45.42 C ATOM 903 O PRO A 52 10.059 -4.561 0.246 1.00 24.12 O ATOM 904 CB PRO A 52 11.598 -4.035 3.285 1.00 72.44 C ATOM 905 CG PRO A 52 11.177 -5.383 3.847 1.00 72.05 C ATOM 906 CD PRO A 52 9.689 -5.549 3.593 1.00 62.34 C ATOM 0 HA PRO A 52 10.282 -2.505 2.512 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.521 -4.122 2.712 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.785 -3.319 4.085 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.738 -6.187 3.371 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.390 -5.435 4.915 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.482 -6.465 3.039 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.132 -5.609 4.528 1.00 62.34 H new ATOM 914 N ALA A 53 11.720 -3.035 0.424 1.00 53.20 N ATOM 915 CA ALA A 53 12.096 -3.117 -0.977 1.00 13.10 C ATOM 916 C ALA A 53 13.172 -4.192 -1.150 1.00 64.41 C ATOM 917 O ALA A 53 13.879 -4.212 -2.156 1.00 65.24 O ATOM 918 CB ALA A 53 12.562 -1.744 -1.462 1.00 72.45 C ATOM 0 H ALA A 53 12.273 -2.380 0.976 1.00 53.20 H new ATOM 0 HA ALA A 53 11.240 -3.405 -1.587 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.844 -1.806 -2.513 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.753 -1.023 -1.345 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.422 -1.423 -0.874 1.00 72.45 H new ATOM 924 N ASP A 54 13.260 -5.061 -0.153 1.00 11.31 N ATOM 925 CA ASP A 54 14.238 -6.135 -0.182 1.00 24.43 C ATOM 926 C ASP A 54 13.512 -7.480 -0.126 1.00 24.43 C ATOM 927 O ASP A 54 13.914 -8.435 -0.789 1.00 72.41 O ATOM 928 CB ASP A 54 15.179 -6.056 1.022 1.00 32.13 C ATOM 929 CG ASP A 54 15.982 -4.758 1.130 1.00 4.14 C ATOM 930 OD1 ASP A 54 16.374 -4.162 0.116 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.206 -4.355 2.335 1.00 61.44 O ATOM 0 H ASP A 54 12.670 -5.043 0.679 1.00 11.31 H new ATOM 0 HA ASP A 54 14.818 -6.039 -1.100 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.592 -6.179 1.932 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.875 -6.894 0.976 1.00 32.13 H new ATOM 937 N LEU A 55 12.454 -7.514 0.672 1.00 53.33 N ATOM 938 CA LEU A 55 11.668 -8.726 0.822 1.00 33.10 C ATOM 939 C LEU A 55 11.159 -9.173 -0.550 1.00 55.22 C ATOM 940 O LEU A 55 10.724 -8.349 -1.352 1.00 73.35 O ATOM 941 CB LEU A 55 10.556 -8.519 1.854 1.00 22.25 C ATOM 942 CG LEU A 55 10.030 -9.783 2.537 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.791 -10.061 3.835 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.520 -9.696 2.763 1.00 41.11 C ATOM 0 H LEU A 55 12.123 -6.721 1.221 1.00 53.33 H new ATOM 0 HA LEU A 55 12.286 -9.535 1.211 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.924 -7.840 2.624 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.720 -8.021 1.363 1.00 22.25 H new ATOM 0 HG LEU A 55 10.207 -10.630 1.873 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.398 -10.965 4.301 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.850 -10.198 3.614 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.668 -9.219 4.516 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.172 -10.607 3.250 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.296 -8.838 3.396 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.015 -9.581 1.804 1.00 41.11 H new ATOM 956 N THR A 56 11.230 -10.476 -0.776 1.00 33.54 N ATOM 957 CA THR A 56 10.782 -11.043 -2.037 1.00 20.24 C ATOM 958 C THR A 56 9.344 -11.550 -1.913 1.00 22.22 C ATOM 959 O THR A 56 8.602 -11.114 -1.034 1.00 33.44 O ATOM 960 CB THR A 56 11.778 -12.130 -2.446 1.00 3.12 C ATOM 961 OG1 THR A 56 11.277 -13.310 -1.823 1.00 4.55 O ATOM 962 CG2 THR A 56 13.156 -11.931 -1.814 1.00 24.15 C ATOM 0 H THR A 56 11.591 -11.156 -0.107 1.00 33.54 H new ATOM 0 HA THR A 56 10.760 -10.290 -2.825 1.00 20.24 H new ATOM 0 HB THR A 56 11.876 -12.142 -3.531 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.251 -14.039 -2.477 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.823 -12.730 -2.138 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.564 -10.969 -2.125 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.065 -11.952 -0.728 1.00 24.15 H new ATOM 970 N VAL A 57 8.994 -12.464 -2.804 1.00 60.44 N ATOM 971 CA VAL A 57 7.659 -13.036 -2.807 1.00 24.01 C ATOM 972 C VAL A 57 7.624 -14.243 -1.866 1.00 24.23 C ATOM 973 O VAL A 57 6.662 -14.427 -1.121 1.00 23.23 O ATOM 974 CB VAL A 57 7.238 -13.379 -4.236 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.197 -14.502 -4.248 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.716 -12.140 -4.967 1.00 3.30 C ATOM 0 H VAL A 57 9.613 -12.824 -3.531 1.00 60.44 H new ATOM 0 HA VAL A 57 6.933 -12.313 -2.435 1.00 24.01 H new ATOM 0 HB VAL A 57 8.120 -13.735 -4.768 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.915 -14.726 -5.277 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.619 -15.394 -3.785 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.315 -14.186 -3.691 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.423 -12.412 -5.981 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.852 -11.741 -4.435 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.500 -11.383 -5.006 1.00 3.30 H new ATOM 986 N GLY A 58 8.684 -15.035 -1.932 1.00 11.12 N ATOM 987 CA GLY A 58 8.787 -16.219 -1.098 1.00 42.23 C ATOM 988 C GLY A 58 9.079 -15.841 0.356 1.00 73.23 C ATOM 989 O GLY A 58 9.080 -16.699 1.238 1.00 60.02 O ATOM 0 H GLY A 58 9.480 -14.879 -2.551 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.858 -16.787 -1.150 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.579 -16.866 -1.475 1.00 42.23 H new ATOM 993 N GLN A 59 9.321 -14.555 0.563 1.00 64.11 N ATOM 994 CA GLN A 59 9.615 -14.052 1.894 1.00 61.51 C ATOM 995 C GLN A 59 8.359 -13.441 2.519 1.00 64.21 C ATOM 996 O GLN A 59 8.239 -13.374 3.741 1.00 44.31 O ATOM 997 CB GLN A 59 10.759 -13.037 1.858 1.00 30.41 C ATOM 998 CG GLN A 59 12.114 -13.741 1.775 1.00 65.32 C ATOM 999 CD GLN A 59 12.843 -13.686 3.119 1.00 74.31 C ATOM 1000 OE1 GLN A 59 12.995 -14.678 3.812 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.284 -12.475 3.446 1.00 1.14 N ATOM 0 H GLN A 59 9.319 -13.845 -0.170 1.00 64.11 H new ATOM 0 HA GLN A 59 9.937 -14.889 2.514 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.636 -12.375 1.001 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.724 -12.412 2.751 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.971 -14.780 1.477 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.726 -13.270 1.006 1.00 65.32 H new ATOM 0 HE21 GLN A 59 13.122 -11.687 2.819 1.00 1.14 H new ATOM 0 HE22 GLN A 59 13.784 -12.334 4.324 1.00 1.14 H new ATOM 1010 N PHE A 60 7.454 -13.012 1.652 1.00 0.21 N ATOM 1011 CA PHE A 60 6.212 -12.408 2.104 1.00 52.15 C ATOM 1012 C PHE A 60 5.216 -13.476 2.559 1.00 43.15 C ATOM 1013 O PHE A 60 4.667 -13.392 3.656 1.00 50.40 O ATOM 1014 CB PHE A 60 5.621 -11.653 0.912 1.00 50.40 C ATOM 1015 CG PHE A 60 4.450 -10.736 1.273 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.546 -9.901 2.342 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.314 -10.757 0.527 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.460 -9.049 2.677 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.229 -9.907 0.861 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.324 -9.071 1.929 1.00 23.01 C ATOM 0 H PHE A 60 7.556 -13.071 0.639 1.00 0.21 H new ATOM 0 HA PHE A 60 6.407 -11.747 2.949 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.406 -11.056 0.448 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.287 -12.375 0.167 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.448 -9.886 2.936 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.238 -11.422 -0.321 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.536 -8.384 3.525 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.327 -9.924 0.267 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.497 -8.424 2.184 1.00 23.01 H new ATOM 1030 N VAL A 61 5.015 -14.460 1.693 1.00 32.35 N ATOM 1031 CA VAL A 61 4.096 -15.545 1.993 1.00 5.44 C ATOM 1032 C VAL A 61 4.275 -15.971 3.451 1.00 71.34 C ATOM 1033 O VAL A 61 3.306 -16.326 4.121 1.00 5.54 O ATOM 1034 CB VAL A 61 4.304 -16.694 1.003 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.505 -17.929 1.424 1.00 42.22 C ATOM 1036 CG2 VAL A 61 3.940 -16.264 -0.420 1.00 73.01 C ATOM 0 H VAL A 61 5.473 -14.528 0.784 1.00 32.35 H new ATOM 0 HA VAL A 61 3.064 -15.216 1.876 1.00 5.44 H new ATOM 0 HB VAL A 61 5.361 -16.959 1.012 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.669 -18.731 0.705 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.832 -18.254 2.412 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.444 -17.682 1.456 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.097 -17.098 -1.104 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.894 -15.960 -0.452 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.570 -15.426 -0.719 1.00 73.01 H new ATOM 1046 N TYR A 62 5.521 -15.924 3.899 1.00 14.20 N ATOM 1047 CA TYR A 62 5.839 -16.300 5.265 1.00 74.54 C ATOM 1048 C TYR A 62 5.034 -15.470 6.267 1.00 34.14 C ATOM 1049 O TYR A 62 4.366 -16.019 7.141 1.00 35.32 O ATOM 1050 CB TYR A 62 7.327 -15.997 5.452 1.00 44.14 C ATOM 1051 CG TYR A 62 7.715 -15.634 6.886 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.326 -16.446 7.932 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.453 -14.495 7.134 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.691 -16.104 9.283 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.817 -14.152 8.484 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.418 -14.974 9.492 1.00 2.21 C ATOM 1057 OH TYR A 62 8.763 -14.650 10.768 1.00 63.13 O ATOM 0 H TYR A 62 6.322 -15.631 3.340 1.00 14.20 H new ATOM 0 HA TYR A 62 5.600 -17.350 5.437 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.906 -16.866 5.139 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.605 -15.175 4.793 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.748 -17.338 7.738 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.758 -13.860 6.315 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.394 -16.731 10.111 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.393 -13.263 8.692 1.00 24.10 H new ATOM 0 HH TYR A 62 9.282 -13.819 10.766 1.00 63.13 H new ATOM 1067 N VAL A 63 5.123 -14.158 6.104 1.00 52.24 N ATOM 1068 CA VAL A 63 4.411 -13.244 6.981 1.00 35.03 C ATOM 1069 C VAL A 63 2.908 -13.514 6.881 1.00 4.02 C ATOM 1070 O VAL A 63 2.196 -13.468 7.883 1.00 23.34 O ATOM 1071 CB VAL A 63 4.782 -11.798 6.647 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.940 -10.812 7.461 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.277 -11.552 6.863 1.00 44.31 C ATOM 0 H VAL A 63 5.678 -13.706 5.377 1.00 52.24 H new ATOM 0 HA VAL A 63 4.703 -13.407 8.018 1.00 35.03 H new ATOM 0 HB VAL A 63 4.564 -11.632 5.592 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.225 -9.792 7.204 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.884 -10.962 7.235 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.111 -10.979 8.524 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.514 -10.517 6.618 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.531 -11.746 7.905 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.852 -12.218 6.219 1.00 44.31 H new ATOM 1083 N ILE A 64 2.469 -13.789 5.660 1.00 25.51 N ATOM 1084 CA ILE A 64 1.064 -14.067 5.415 1.00 30.30 C ATOM 1085 C ILE A 64 0.681 -15.378 6.102 1.00 3.31 C ATOM 1086 O ILE A 64 -0.441 -15.524 6.587 1.00 53.34 O ATOM 1087 CB ILE A 64 0.769 -14.051 3.914 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.356 -12.801 3.254 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.731 -14.188 3.649 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.892 -11.532 3.972 1.00 35.01 C ATOM 0 H ILE A 64 3.062 -13.825 4.831 1.00 25.51 H new ATOM 0 HA ILE A 64 0.440 -13.285 5.848 1.00 30.30 H new ATOM 0 HB ILE A 64 1.256 -14.914 3.460 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.445 -12.854 3.270 1.00 52.44 H new ATOM 0 HG13 ILE A 64 1.054 -12.762 2.207 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.913 -14.174 2.574 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.090 -15.129 4.065 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.261 -13.359 4.118 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.324 -10.659 3.483 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.196 -11.469 3.933 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.217 -11.563 5.012 1.00 35.01 H new ATOM 1102 N ARG A 65 1.632 -16.299 6.126 1.00 63.25 N ATOM 1103 CA ARG A 65 1.408 -17.593 6.746 1.00 61.31 C ATOM 1104 C ARG A 65 1.574 -17.491 8.264 1.00 12.01 C ATOM 1105 O ARG A 65 1.359 -18.466 8.983 1.00 41.52 O ATOM 1106 CB ARG A 65 2.382 -18.641 6.204 1.00 31.34 C ATOM 1107 CG ARG A 65 1.812 -20.053 6.360 1.00 61.42 C ATOM 1108 CD ARG A 65 1.184 -20.538 5.052 1.00 12.15 C ATOM 1109 NE ARG A 65 2.227 -20.674 4.011 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.954 -21.794 3.807 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.757 -22.885 4.575 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.859 -21.803 2.847 1.00 34.13 N ATOM 0 H ARG A 65 2.562 -16.174 5.725 1.00 63.25 H new ATOM 0 HA ARG A 65 0.390 -17.902 6.508 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.587 -18.442 5.152 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.332 -18.568 6.734 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.604 -20.738 6.663 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.063 -20.061 7.152 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.689 -21.496 5.210 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.419 -19.834 4.723 1.00 12.15 H new ATOM 0 HE ARG A 65 2.408 -19.871 3.409 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.056 -22.868 5.315 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.309 -23.727 4.416 1.00 33.44 H new ATOM 0 HH21 ARG A 65 4.001 -20.972 2.272 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.417 -22.641 2.680 1.00 34.13 H new ATOM 1126 N LYS A 66 1.955 -16.301 8.706 1.00 55.44 N ATOM 1127 CA LYS A 66 2.153 -16.058 10.124 1.00 1.33 C ATOM 1128 C LYS A 66 0.835 -15.590 10.746 1.00 70.51 C ATOM 1129 O LYS A 66 0.437 -16.073 11.805 1.00 24.42 O ATOM 1130 CB LYS A 66 3.316 -15.088 10.346 1.00 12.24 C ATOM 1131 CG LYS A 66 4.596 -15.842 10.709 1.00 14.13 C ATOM 1132 CD LYS A 66 5.564 -14.940 11.478 1.00 31.51 C ATOM 1133 CE LYS A 66 6.378 -15.748 12.492 1.00 71.45 C ATOM 1134 NZ LYS A 66 7.537 -14.962 12.968 1.00 62.23 N ATOM 0 H LYS A 66 2.132 -15.495 8.106 1.00 55.44 H new ATOM 0 HA LYS A 66 2.437 -16.980 10.632 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.480 -14.499 9.444 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.064 -14.388 11.142 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.349 -16.715 11.313 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.077 -16.208 9.802 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.237 -14.443 10.779 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.006 -14.158 11.994 1.00 31.51 H new ATOM 0 HE2 LYS A 66 5.747 -16.025 13.337 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.723 -16.675 12.035 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 8.000 -15.466 13.751 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 8.214 -14.835 12.189 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 7.213 -14.031 13.299 1.00 62.23 H new ATOM 1148 N ARG A 67 0.194 -14.654 10.061 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.070 -14.116 10.531 1.00 11.04 C ATOM 1150 C ARG A 67 -2.060 -15.249 10.811 1.00 10.11 C ATOM 1151 O ARG A 67 -2.536 -15.400 11.934 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.678 -13.159 9.504 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.264 -11.713 9.788 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.268 -11.028 10.719 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.861 -11.217 12.129 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.994 -10.414 12.780 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.432 -9.359 12.151 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.702 -10.675 14.041 1.00 2.44 N ATOM 0 H ARG A 67 0.527 -14.255 9.184 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.873 -13.566 11.451 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.356 -13.443 8.502 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.765 -13.240 9.525 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.273 -11.697 10.241 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.195 -11.160 8.851 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.324 -9.964 10.487 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.264 -11.442 10.561 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.261 -12.003 12.641 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.662 -9.164 11.177 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.222 -8.757 12.651 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.130 -11.474 14.509 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.048 -10.078 14.547 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.339 -16.018 9.768 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.263 -17.132 9.887 1.00 51.02 C ATOM 1174 C ILE A 68 -2.538 -18.324 10.516 1.00 1.12 C ATOM 1175 O ILE A 68 -3.154 -19.352 10.796 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.902 -17.445 8.531 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.850 -17.460 7.421 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.044 -16.475 8.227 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.340 -18.263 6.214 1.00 64.50 C ATOM 0 H ILE A 68 -1.941 -15.891 8.837 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.089 -16.874 10.550 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.334 -18.445 8.578 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.624 -16.438 7.115 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.923 -17.893 7.799 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.481 -16.719 7.259 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.807 -16.558 9.001 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.659 -15.455 8.205 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.574 -18.258 5.439 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.542 -19.290 6.518 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.253 -17.813 5.824 1.00 64.50 H new ATOM 1191 N MET A 69 -1.242 -18.147 10.719 1.00 12.12 N ATOM 1192 CA MET A 69 -0.427 -19.195 11.310 1.00 64.34 C ATOM 1193 C MET A 69 -0.782 -20.563 10.721 1.00 52.33 C ATOM 1194 O MET A 69 -0.909 -21.543 11.453 1.00 32.01 O ATOM 1195 CB MET A 69 -0.644 -19.219 12.823 1.00 12.53 C ATOM 1196 CG MET A 69 -2.100 -19.547 13.164 1.00 10.21 C ATOM 1197 SD MET A 69 -2.257 -19.886 14.909 1.00 12.40 S ATOM 1198 CE MET A 69 -3.085 -18.397 15.442 1.00 45.12 C ATOM 0 H MET A 69 -0.735 -17.293 10.485 1.00 12.12 H new ATOM 0 HA MET A 69 0.619 -18.985 11.088 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.015 -19.959 13.277 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.377 -18.251 13.248 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.744 -18.712 12.888 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.432 -20.410 12.586 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.261 -18.443 16.517 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.462 -17.532 15.213 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.038 -18.305 14.922 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.932 -20.584 9.405 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.269 -21.815 8.711 1.00 10.14 C ATOM 1210 C LEU A 70 -0.156 -22.841 8.930 1.00 2.25 C ATOM 1211 O LEU A 70 1.024 -22.493 8.921 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.565 -21.534 7.236 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.723 -22.323 6.622 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.943 -22.316 7.545 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.059 -21.806 5.223 1.00 2.24 C ATOM 0 H LEU A 70 -0.826 -19.769 8.801 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.183 -22.245 9.120 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.777 -20.471 7.125 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.664 -21.742 6.659 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.408 -23.361 6.514 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.751 -22.884 7.084 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.679 -22.770 8.500 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.269 -21.289 7.709 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.885 -22.385 4.810 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.345 -20.756 5.282 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.186 -21.909 4.578 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.581 -24.118 9.124 1.00 43.24 N ATOM 1228 CA PRO A 71 0.367 -25.197 9.345 1.00 13.55 C ATOM 1229 C PRO A 71 1.062 -25.591 8.040 1.00 75.31 C ATOM 1230 O PRO A 71 0.664 -25.152 6.963 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.455 -26.326 9.945 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.903 -26.011 9.608 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.969 -24.567 9.139 1.00 33.31 C ATOM 0 HA PRO A 71 1.179 -24.914 10.015 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.158 -27.289 9.530 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.309 -26.385 11.024 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.269 -26.682 8.831 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.539 -26.158 10.481 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.420 -24.492 8.149 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.574 -23.960 9.812 1.00 33.31 H new ATOM 1241 N PRO A 72 2.119 -26.438 8.184 1.00 11.43 N ATOM 1242 CA PRO A 72 2.873 -26.895 7.030 1.00 73.31 C ATOM 1243 C PRO A 72 2.089 -27.950 6.246 1.00 14.34 C ATOM 1244 O PRO A 72 2.563 -28.449 5.227 1.00 14.13 O ATOM 1245 CB PRO A 72 4.178 -27.426 7.599 1.00 1.11 C ATOM 1246 CG PRO A 72 3.918 -27.674 9.077 1.00 12.50 C ATOM 1247 CD PRO A 72 2.619 -26.978 9.444 1.00 2.00 C ATOM 0 HA PRO A 72 3.062 -26.100 6.309 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.478 -28.345 7.096 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.986 -26.708 7.460 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.849 -28.743 9.278 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.741 -27.289 9.679 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.907 -27.675 9.886 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.786 -26.187 10.175 1.00 2.00 H new ATOM 1255 N GLU A 73 0.904 -28.259 6.753 1.00 4.32 N ATOM 1256 CA GLU A 73 0.050 -29.246 6.114 1.00 33.04 C ATOM 1257 C GLU A 73 -0.879 -28.569 5.105 1.00 15.04 C ATOM 1258 O GLU A 73 -1.720 -29.226 4.493 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.749 -30.035 7.152 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.841 -29.165 7.779 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.851 -30.023 8.546 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -2.657 -31.240 8.677 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.866 -29.379 9.016 1.00 11.00 O ATOM 0 H GLU A 73 0.515 -27.843 7.599 1.00 4.32 H new ATOM 0 HA GLU A 73 0.683 -29.953 5.578 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.200 -30.909 6.682 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.079 -30.402 7.930 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.389 -28.438 8.454 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.354 -28.601 7.000 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.695 -27.264 4.961 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.507 -26.491 4.037 1.00 74.24 C ATOM 1273 C LYS A 74 -0.597 -25.810 3.012 1.00 4.24 C ATOM 1274 O LYS A 74 0.620 -25.981 3.049 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.410 -25.520 4.800 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.626 -26.243 5.381 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.861 -25.340 5.367 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.085 -26.075 5.914 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.927 -25.157 6.714 1.00 72.20 N ATOM 0 H LYS A 74 0.005 -26.723 5.469 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.180 -27.145 3.482 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.845 -25.048 5.604 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.740 -24.724 4.132 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.826 -27.147 4.805 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.413 -26.557 6.403 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.671 -24.449 5.965 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.059 -25.005 4.349 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.667 -26.487 5.090 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.766 -26.916 6.530 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.754 -25.672 7.078 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -6.373 -24.784 7.511 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.246 -24.369 6.116 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.223 -25.054 2.123 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.486 -24.347 1.090 1.00 13.52 C ATOM 1295 C ALA A 75 -1.076 -22.948 0.915 1.00 54.01 C ATOM 1296 O ALA A 75 -2.279 -22.753 1.080 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.516 -25.158 -0.206 1.00 3.35 C ATOM 0 H ALA A 75 -2.233 -24.915 2.097 1.00 2.43 H new ATOM 0 HA ALA A 75 0.559 -24.231 1.377 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.037 -24.627 -0.981 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.058 -26.132 -0.036 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.549 -25.294 -0.526 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.204 -22.008 0.583 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.624 -20.631 0.383 1.00 65.33 C ATOM 1305 C ILE A 76 0.173 -20.021 -0.771 1.00 4.31 C ATOM 1306 O ILE A 76 1.402 -19.975 -0.726 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.515 -19.843 1.691 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.690 -18.875 1.847 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.833 -19.128 1.788 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.451 -17.905 3.006 1.00 43.42 C ATOM 0 H ILE A 76 0.793 -22.173 0.447 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.676 -20.591 0.100 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.566 -20.548 2.521 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.830 -18.315 0.922 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.608 -19.437 2.021 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.885 -18.576 2.726 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.638 -19.862 1.754 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.938 -18.436 0.953 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.301 -17.228 3.095 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.336 -18.467 3.933 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.546 -17.328 2.817 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.558 -19.567 -1.778 1.00 12.42 N ATOM 1323 CA PHE A 77 0.066 -18.961 -2.943 1.00 62.30 C ATOM 1324 C PHE A 77 -0.445 -17.535 -3.157 1.00 33.33 C ATOM 1325 O PHE A 77 -1.630 -17.262 -2.978 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.319 -19.816 -4.151 1.00 40.44 C ATOM 1327 CG PHE A 77 0.046 -21.296 -4.009 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.822 -22.156 -3.412 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.238 -21.749 -4.479 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.483 -23.528 -3.280 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.578 -23.122 -4.346 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.710 -23.981 -3.750 1.00 35.23 C ATOM 0 H PHE A 77 -1.577 -19.606 -1.812 1.00 12.42 H new ATOM 0 HA PHE A 77 1.146 -18.914 -2.806 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.393 -19.732 -4.315 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.171 -19.415 -5.038 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.769 -21.795 -3.038 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.927 -21.065 -4.953 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.172 -24.212 -2.807 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.525 -23.483 -4.718 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.968 -25.025 -3.649 1.00 35.23 H new ATOM 1342 N ILE A 78 0.476 -16.663 -3.541 1.00 3.55 N ATOM 1343 CA ILE A 78 0.134 -15.271 -3.783 1.00 70.04 C ATOM 1344 C ILE A 78 -0.379 -15.119 -5.217 1.00 63.43 C ATOM 1345 O ILE A 78 0.029 -15.862 -6.109 1.00 62.34 O ATOM 1346 CB ILE A 78 1.321 -14.363 -3.456 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.801 -14.584 -2.019 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.981 -12.896 -3.728 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.892 -13.864 -1.021 1.00 44.32 C ATOM 0 H ILE A 78 1.458 -16.893 -3.691 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.671 -14.956 -3.120 1.00 70.04 H new ATOM 0 HB ILE A 78 2.147 -14.629 -4.116 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.817 -15.651 -1.797 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.823 -14.221 -1.913 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.842 -12.272 -3.487 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.725 -12.771 -4.780 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.133 -12.598 -3.111 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.255 -14.037 -0.008 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.897 -12.794 -1.230 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.124 -14.247 -1.113 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.267 -14.152 -5.393 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.841 -13.893 -6.702 1.00 2.04 C ATOM 1363 C PHE A 79 -1.972 -12.390 -6.957 1.00 53.42 C ATOM 1364 O PHE A 79 -2.566 -11.670 -6.155 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.236 -14.523 -6.712 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.273 -15.945 -7.275 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.052 -16.158 -8.600 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.526 -16.996 -6.450 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.085 -17.477 -9.123 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.560 -18.316 -6.973 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.339 -18.529 -8.298 1.00 62.01 C ATOM 0 H PHE A 79 -1.603 -13.538 -4.651 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.200 -14.311 -7.478 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.625 -14.536 -5.694 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.904 -13.893 -7.300 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.851 -15.323 -9.255 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.701 -16.827 -5.398 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -2.909 -17.646 -10.175 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.761 -19.151 -6.318 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.365 -19.533 -8.695 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.408 -11.959 -8.076 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.454 -10.555 -8.445 1.00 62.12 C ATOM 1383 C VAL A 80 -1.966 -10.426 -9.881 1.00 53.14 C ATOM 1384 O VAL A 80 -1.326 -10.905 -10.816 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.079 -9.916 -8.240 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.199 -8.400 -8.073 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.647 -10.543 -7.048 1.00 72.24 C ATOM 0 H VAL A 80 -0.917 -12.558 -8.739 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.149 -10.013 -7.803 1.00 62.12 H new ATOM 0 HB VAL A 80 0.516 -10.109 -9.133 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.792 -7.970 -7.929 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.654 -7.971 -8.965 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.821 -8.178 -7.206 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.621 -10.070 -6.926 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.056 -10.396 -6.144 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.781 -11.610 -7.224 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.115 -9.778 -10.010 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.719 -9.580 -11.317 1.00 42.34 C ATOM 1399 C ASN A 81 -4.093 -10.940 -11.912 1.00 23.52 C ATOM 1400 O ASN A 81 -4.273 -11.064 -13.121 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.745 -8.897 -12.277 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.888 -7.862 -11.544 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.291 -6.733 -11.317 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.686 -8.308 -11.189 1.00 23.44 N ATOM 0 H ASN A 81 -3.643 -9.384 -9.232 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.600 -8.951 -11.189 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.101 -9.645 -12.741 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.300 -8.412 -13.080 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.039 -7.693 -10.696 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.411 -9.265 -11.410 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.198 -11.926 -11.033 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.547 -13.271 -11.456 1.00 23.32 C ATOM 1413 C ASP A 82 -3.295 -13.978 -11.979 1.00 11.03 C ATOM 1414 O ASP A 82 -3.391 -14.902 -12.784 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.581 -13.244 -12.582 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.670 -12.179 -12.434 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.478 -12.218 -11.496 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -6.669 -11.267 -13.347 1.00 63.05 O ATOM 0 H ASP A 82 -4.047 -11.820 -10.030 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.964 -13.797 -10.597 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.063 -13.083 -13.527 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.057 -14.223 -12.642 1.00 70.50 H new ATOM 1424 N THR A 83 -2.149 -13.514 -11.503 1.00 42.44 N ATOM 1425 CA THR A 83 -0.880 -14.090 -11.914 1.00 61.11 C ATOM 1426 C THR A 83 -0.007 -14.380 -10.691 1.00 21.15 C ATOM 1427 O THR A 83 0.105 -13.550 -9.791 1.00 74.25 O ATOM 1428 CB THR A 83 -0.227 -13.132 -12.913 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.497 -13.987 -13.792 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.851 -12.259 -12.268 1.00 30.14 C ATOM 0 H THR A 83 -2.073 -12.746 -10.837 1.00 42.44 H new ATOM 0 HA THR A 83 -1.023 -15.051 -12.409 1.00 61.11 H new ATOM 0 HB THR A 83 -0.991 -12.495 -13.357 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.950 -13.448 -14.473 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.282 -11.598 -13.020 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.407 -11.662 -11.472 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.633 -12.894 -11.852 1.00 30.14 H new ATOM 1438 N LEU A 84 0.591 -15.563 -10.699 1.00 12.33 N ATOM 1439 CA LEU A 84 1.451 -15.975 -9.603 1.00 64.22 C ATOM 1440 C LEU A 84 2.894 -15.571 -9.914 1.00 22.45 C ATOM 1441 O LEU A 84 3.509 -16.112 -10.832 1.00 1.12 O ATOM 1442 CB LEU A 84 1.278 -17.467 -9.316 1.00 62.51 C ATOM 1443 CG LEU A 84 1.154 -17.856 -7.842 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.311 -18.059 -7.449 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.008 -19.087 -7.527 1.00 5.15 C ATOM 0 H LEU A 84 0.496 -16.249 -11.448 1.00 12.33 H new ATOM 0 HA LEU A 84 1.167 -15.464 -8.683 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.388 -17.817 -9.840 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.128 -18.000 -9.742 1.00 62.51 H new ATOM 0 HG LEU A 84 1.538 -17.034 -7.238 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.370 -18.335 -6.396 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.863 -17.134 -7.613 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.744 -18.853 -8.057 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.902 -19.343 -6.473 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.677 -19.926 -8.139 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.054 -18.870 -7.745 1.00 5.15 H new ATOM 1457 N PRO A 85 3.406 -14.601 -9.111 1.00 73.14 N ATOM 1458 CA PRO A 85 4.765 -14.119 -9.290 1.00 54.01 C ATOM 1459 C PRO A 85 5.781 -15.137 -8.767 1.00 31.32 C ATOM 1460 O PRO A 85 5.427 -16.045 -8.017 1.00 23.50 O ATOM 1461 CB PRO A 85 4.815 -12.795 -8.548 1.00 13.52 C ATOM 1462 CG PRO A 85 3.630 -12.806 -7.595 1.00 42.32 C ATOM 1463 CD PRO A 85 2.707 -13.939 -8.012 1.00 13.01 C ATOM 0 HA PRO A 85 5.027 -13.981 -10.339 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.753 -12.688 -8.003 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.751 -11.956 -9.241 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.967 -12.947 -6.568 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.103 -11.852 -7.630 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.526 -14.627 -7.186 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.735 -13.561 -8.331 1.00 13.01 H new ATOM 1471 N PRO A 86 7.058 -14.947 -9.197 1.00 12.01 N ATOM 1472 CA PRO A 86 8.127 -15.838 -8.780 1.00 0.14 C ATOM 1473 C PRO A 86 8.537 -15.563 -7.332 1.00 13.22 C ATOM 1474 O PRO A 86 7.816 -14.890 -6.596 1.00 70.44 O ATOM 1475 CB PRO A 86 9.252 -15.592 -9.772 1.00 21.33 C ATOM 1476 CG PRO A 86 8.951 -14.250 -10.420 1.00 1.45 C ATOM 1477 CD PRO A 86 7.515 -13.884 -10.086 1.00 12.41 C ATOM 0 HA PRO A 86 7.828 -16.886 -8.787 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.219 -15.575 -9.269 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.295 -16.385 -10.518 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.635 -13.486 -10.051 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.089 -14.308 -11.500 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.458 -12.910 -9.600 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.901 -13.829 -10.985 1.00 12.41 H new ATOM 1485 N THR A 87 9.692 -16.097 -6.965 1.00 44.33 N ATOM 1486 CA THR A 87 10.205 -15.918 -5.618 1.00 62.41 C ATOM 1487 C THR A 87 11.196 -14.752 -5.575 1.00 30.31 C ATOM 1488 O THR A 87 11.302 -14.060 -4.564 1.00 14.22 O ATOM 1489 CB THR A 87 10.813 -17.247 -5.163 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.105 -17.262 -5.762 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.102 -18.455 -5.776 1.00 50.43 C ATOM 0 H THR A 87 10.288 -16.654 -7.578 1.00 44.33 H new ATOM 0 HA THR A 87 9.408 -15.653 -4.924 1.00 62.41 H new ATOM 0 HB THR A 87 10.769 -17.313 -4.076 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.570 -18.089 -5.517 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.572 -19.372 -5.421 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.053 -18.447 -5.482 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.174 -18.407 -6.863 1.00 50.43 H new ATOM 1499 N ALA A 88 11.896 -14.572 -6.686 1.00 71.44 N ATOM 1500 CA ALA A 88 12.872 -13.501 -6.788 1.00 13.45 C ATOM 1501 C ALA A 88 12.172 -12.218 -7.240 1.00 44.20 C ATOM 1502 O ALA A 88 12.829 -11.239 -7.592 1.00 63.25 O ATOM 1503 CB ALA A 88 13.992 -13.922 -7.743 1.00 64.41 C ATOM 0 H ALA A 88 11.806 -15.149 -7.522 1.00 71.44 H new ATOM 0 HA ALA A 88 13.327 -13.303 -5.817 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.725 -13.119 -7.820 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.477 -14.821 -7.361 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.573 -14.127 -8.728 1.00 64.41 H new ATOM 1509 N ALA A 89 10.848 -12.264 -7.216 1.00 34.45 N ATOM 1510 CA ALA A 89 10.052 -11.116 -7.617 1.00 73.43 C ATOM 1511 C ALA A 89 10.078 -10.068 -6.503 1.00 42.11 C ATOM 1512 O ALA A 89 9.033 -9.712 -5.957 1.00 30.52 O ATOM 1513 CB ALA A 89 8.632 -11.575 -7.954 1.00 61.45 C ATOM 0 H ALA A 89 10.306 -13.078 -6.925 1.00 34.45 H new ATOM 0 HA ALA A 89 10.467 -10.654 -8.512 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.033 -10.715 -8.255 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.667 -12.296 -8.770 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.182 -12.041 -7.077 1.00 61.45 H new ATOM 1519 N LEU A 90 11.280 -9.602 -6.199 1.00 64.42 N ATOM 1520 CA LEU A 90 11.455 -8.601 -5.161 1.00 63.51 C ATOM 1521 C LEU A 90 10.192 -7.740 -5.070 1.00 52.21 C ATOM 1522 O LEU A 90 9.859 -7.022 -6.011 1.00 54.01 O ATOM 1523 CB LEU A 90 12.732 -7.796 -5.402 1.00 34.25 C ATOM 1524 CG LEU A 90 13.800 -7.886 -4.308 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.906 -9.311 -3.763 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.145 -7.360 -4.811 1.00 41.31 C ATOM 0 H LEU A 90 12.143 -9.900 -6.654 1.00 64.42 H new ATOM 0 HA LEU A 90 11.586 -9.079 -4.190 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.174 -8.127 -6.342 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.459 -6.749 -5.530 1.00 34.25 H new ATOM 0 HG LEU A 90 13.496 -7.247 -3.479 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.671 -9.348 -2.988 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.947 -9.611 -3.341 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.175 -9.991 -4.571 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.886 -7.435 -4.015 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.470 -7.952 -5.666 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.039 -6.317 -5.111 1.00 41.31 H new ATOM 1538 N MET A 91 9.526 -7.843 -3.930 1.00 32.43 N ATOM 1539 CA MET A 91 8.308 -7.082 -3.705 1.00 22.31 C ATOM 1540 C MET A 91 8.404 -5.694 -4.339 1.00 44.01 C ATOM 1541 O MET A 91 7.401 -5.139 -4.785 1.00 41.02 O ATOM 1542 CB MET A 91 8.065 -6.942 -2.201 1.00 61.30 C ATOM 1543 CG MET A 91 7.906 -8.313 -1.541 1.00 10.20 C ATOM 1544 SD MET A 91 6.253 -8.488 -0.889 1.00 71.21 S ATOM 1545 CE MET A 91 5.303 -8.132 -2.357 1.00 3.14 C ATOM 0 H MET A 91 9.806 -8.441 -3.153 1.00 32.43 H new ATOM 0 HA MET A 91 7.477 -7.615 -4.168 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.898 -6.408 -1.743 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.170 -6.345 -2.028 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.105 -9.101 -2.268 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.636 -8.427 -0.740 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.300 -8.546 -2.251 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.237 -7.053 -2.495 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.790 -8.580 -3.223 1.00 3.14 H new ATOM 1555 N SER A 92 9.622 -5.170 -4.358 1.00 61.22 N ATOM 1556 CA SER A 92 9.862 -3.855 -4.930 1.00 10.22 C ATOM 1557 C SER A 92 9.522 -3.863 -6.421 1.00 3.55 C ATOM 1558 O SER A 92 8.702 -3.070 -6.879 1.00 30.35 O ATOM 1559 CB SER A 92 11.313 -3.419 -4.719 1.00 12.35 C ATOM 1560 OG SER A 92 11.440 -2.002 -4.650 1.00 55.11 O ATOM 0 H SER A 92 10.452 -5.632 -3.987 1.00 61.22 H new ATOM 0 HA SER A 92 9.218 -3.138 -4.421 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.695 -3.862 -3.799 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.928 -3.799 -5.535 1.00 12.35 H new ATOM 0 HG SER A 92 12.389 -1.757 -4.674 1.00 55.11 H new ATOM 1566 N ALA A 93 10.171 -4.768 -7.139 1.00 51.43 N ATOM 1567 CA ALA A 93 9.949 -4.892 -8.570 1.00 44.32 C ATOM 1568 C ALA A 93 8.497 -5.304 -8.821 1.00 70.44 C ATOM 1569 O ALA A 93 8.015 -5.234 -9.951 1.00 35.31 O ATOM 1570 CB ALA A 93 10.949 -5.887 -9.159 1.00 51.33 C ATOM 0 H ALA A 93 10.852 -5.424 -6.756 1.00 51.43 H new ATOM 0 HA ALA A 93 10.112 -3.936 -9.068 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.781 -5.979 -10.232 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.964 -5.532 -8.979 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.816 -6.860 -8.686 1.00 51.33 H new ATOM 1576 N ILE A 94 7.841 -5.725 -7.751 1.00 40.34 N ATOM 1577 CA ILE A 94 6.454 -6.149 -7.841 1.00 0.42 C ATOM 1578 C ILE A 94 5.540 -4.934 -7.667 1.00 61.53 C ATOM 1579 O ILE A 94 4.537 -4.801 -8.366 1.00 44.40 O ATOM 1580 CB ILE A 94 6.172 -7.279 -6.849 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.017 -8.514 -7.168 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.679 -7.604 -6.797 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.560 -9.169 -8.472 1.00 10.40 C ATOM 0 H ILE A 94 8.244 -5.782 -6.816 1.00 40.34 H new ATOM 0 HA ILE A 94 6.247 -6.564 -8.827 1.00 0.42 H new ATOM 0 HB ILE A 94 6.462 -6.939 -5.855 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.066 -8.230 -7.248 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.942 -9.231 -6.351 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.507 -8.410 -6.084 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.125 -6.719 -6.485 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.340 -7.915 -7.785 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.177 -10.044 -8.675 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.517 -9.473 -8.380 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.659 -8.457 -9.291 1.00 10.40 H new ATOM 1595 N TYR A 95 5.921 -4.079 -6.728 1.00 51.15 N ATOM 1596 CA TYR A 95 5.148 -2.881 -6.451 1.00 20.24 C ATOM 1597 C TYR A 95 5.438 -1.791 -7.486 1.00 42.21 C ATOM 1598 O TYR A 95 4.801 -0.738 -7.479 1.00 45.41 O ATOM 1599 CB TYR A 95 5.604 -2.394 -5.075 1.00 42.53 C ATOM 1600 CG TYR A 95 5.048 -1.023 -4.684 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.565 0.121 -5.259 1.00 42.40 C ATOM 1602 CD2 TYR A 95 4.029 -0.929 -3.758 1.00 32.12 C ATOM 1603 CE1 TYR A 95 5.043 1.411 -4.891 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.507 0.361 -3.390 1.00 52.14 C ATOM 1605 CZ TYR A 95 4.040 1.467 -3.975 1.00 24.44 C ATOM 1606 OH TYR A 95 3.546 2.686 -3.628 1.00 51.50 O ATOM 0 H TYR A 95 6.754 -4.193 -6.151 1.00 51.15 H new ATOM 0 HA TYR A 95 4.080 -3.096 -6.486 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.303 -3.124 -4.324 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.693 -2.351 -5.059 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.361 0.048 -5.985 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.623 -1.824 -3.309 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.439 2.314 -5.332 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.710 0.449 -2.666 1.00 52.14 H new ATOM 0 HH TYR A 95 2.764 2.892 -4.181 1.00 51.50 H new ATOM 1616 N GLN A 96 6.400 -2.082 -8.350 1.00 41.34 N ATOM 1617 CA GLN A 96 6.783 -1.139 -9.387 1.00 40.14 C ATOM 1618 C GLN A 96 6.176 -1.553 -10.730 1.00 73.33 C ATOM 1619 O GLN A 96 6.222 -0.794 -11.697 1.00 35.05 O ATOM 1620 CB GLN A 96 8.305 -1.021 -9.487 1.00 62.44 C ATOM 1621 CG GLN A 96 8.753 -0.933 -10.948 1.00 73.05 C ATOM 1622 CD GLN A 96 10.273 -0.780 -11.045 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.913 -0.144 -10.226 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.812 -1.398 -12.094 1.00 34.13 N ATOM 0 H GLN A 96 6.925 -2.957 -8.353 1.00 41.34 H new ATOM 0 HA GLN A 96 6.393 -0.157 -9.120 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.641 -0.137 -8.946 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.772 -1.883 -9.011 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.439 -1.829 -11.483 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.267 -0.086 -11.431 1.00 73.05 H new ATOM 0 HE21 GLN A 96 10.218 -1.914 -12.743 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.819 -1.355 -12.249 1.00 34.13 H new ATOM 1633 N GLU A 97 5.620 -2.756 -10.747 1.00 32.44 N ATOM 1634 CA GLU A 97 5.005 -3.280 -11.953 1.00 2.21 C ATOM 1635 C GLU A 97 3.527 -3.589 -11.705 1.00 41.50 C ATOM 1636 O GLU A 97 2.792 -3.912 -12.637 1.00 31.31 O ATOM 1637 CB GLU A 97 5.748 -4.521 -12.454 1.00 65.22 C ATOM 1638 CG GLU A 97 5.145 -5.796 -11.864 1.00 55.53 C ATOM 1639 CD GLU A 97 5.960 -7.027 -12.266 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.412 -7.967 -12.860 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.209 -6.982 -11.944 1.00 70.13 O ATOM 0 H GLU A 97 5.583 -3.383 -9.943 1.00 32.44 H new ATOM 0 HA GLU A 97 5.071 -2.519 -12.730 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.702 -4.562 -13.542 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.801 -4.453 -12.182 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.111 -5.717 -10.777 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.117 -5.909 -12.207 1.00 55.53 H new ATOM 1649 N HIS A 98 3.137 -3.480 -10.443 1.00 3.52 N ATOM 1650 CA HIS A 98 1.761 -3.745 -10.060 1.00 21.22 C ATOM 1651 C HIS A 98 1.209 -2.552 -9.275 1.00 61.24 C ATOM 1652 O HIS A 98 0.189 -2.670 -8.597 1.00 1.42 O ATOM 1653 CB HIS A 98 1.654 -5.063 -9.291 1.00 32.21 C ATOM 1654 CG HIS A 98 1.934 -6.287 -10.130 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.538 -6.397 -11.451 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.574 -7.450 -9.821 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.928 -7.579 -11.907 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.569 -8.230 -10.894 1.00 24.24 N ATOM 0 H HIS A 98 3.750 -3.212 -9.673 1.00 3.52 H new ATOM 0 HA HIS A 98 1.147 -3.864 -10.953 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.352 -5.041 -8.454 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.652 -5.146 -8.869 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.011 -7.695 -8.864 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.767 -7.960 -12.905 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.977 -9.163 -10.952 1.00 24.24 H new ATOM 1667 N LYS A 99 1.908 -1.433 -9.392 1.00 12.51 N ATOM 1668 CA LYS A 99 1.500 -0.221 -8.700 1.00 13.43 C ATOM 1669 C LYS A 99 0.106 0.188 -9.177 1.00 32.40 C ATOM 1670 O LYS A 99 -0.310 -0.173 -10.278 1.00 3.15 O ATOM 1671 CB LYS A 99 2.556 0.873 -8.873 1.00 4.34 C ATOM 1672 CG LYS A 99 2.693 1.276 -10.342 1.00 4.14 C ATOM 1673 CD LYS A 99 2.240 2.721 -10.560 1.00 12.25 C ATOM 1674 CE LYS A 99 2.129 3.042 -12.052 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.922 3.857 -12.317 1.00 53.51 N ATOM 0 H LYS A 99 2.753 -1.339 -9.955 1.00 12.51 H new ATOM 0 HA LYS A 99 1.430 -0.398 -7.627 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.283 1.744 -8.277 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.516 0.519 -8.498 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.730 1.165 -10.658 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.097 0.607 -10.963 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.276 2.880 -10.077 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.948 3.403 -10.089 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.018 3.580 -12.382 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.084 2.117 -12.627 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.861 4.066 -13.334 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.076 3.330 -12.021 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.980 4.748 -11.783 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.579 0.937 -8.326 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.919 1.399 -8.647 1.00 31.41 C ATOM 1691 C ASP A 100 -1.996 2.913 -8.437 1.00 24.34 C ATOM 1692 O ASP A 100 -1.033 3.530 -7.980 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.961 0.744 -7.738 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.798 -0.353 -8.399 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.021 -0.217 -8.551 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -3.135 -1.395 -8.771 1.00 2.43 O ATOM 0 H ASP A 100 -0.232 1.236 -7.415 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.127 1.134 -9.684 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.451 0.320 -6.873 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.633 1.517 -7.364 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.147 3.470 -8.781 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.361 4.900 -8.636 1.00 45.13 C ATOM 1704 C LYS A 101 -2.982 5.326 -7.218 1.00 14.41 C ATOM 1705 O LYS A 101 -2.130 6.193 -7.033 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.792 5.269 -9.029 1.00 61.03 C ATOM 1707 CG LYS A 101 -5.039 5.006 -10.516 1.00 1.14 C ATOM 1708 CD LYS A 101 -4.831 6.279 -11.341 1.00 13.14 C ATOM 1709 CE LYS A 101 -3.403 6.805 -11.184 1.00 51.00 C ATOM 1710 NZ LYS A 101 -3.116 7.835 -12.209 1.00 33.55 N ATOM 0 H LYS A 101 -3.943 2.956 -9.160 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.716 5.454 -9.318 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.497 4.691 -8.432 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.974 6.321 -8.807 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.364 4.226 -10.868 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -6.055 4.637 -10.660 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.033 6.073 -12.392 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.541 7.043 -11.024 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -3.272 7.228 -10.188 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -2.694 5.983 -11.277 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -2.143 8.182 -12.089 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -3.221 7.420 -13.157 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -3.782 8.627 -12.102 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.635 4.697 -6.251 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.379 5.001 -4.853 1.00 44.11 C ATOM 1726 C ASP A 102 -1.893 4.791 -4.556 1.00 52.35 C ATOM 1727 O ASP A 102 -1.372 5.318 -3.573 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.180 4.080 -3.933 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.282 2.627 -4.401 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.305 1.866 -4.341 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.442 2.279 -4.849 1.00 40.41 O ATOM 0 H ASP A 102 -4.341 3.978 -6.408 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.674 6.035 -4.672 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.725 4.096 -2.943 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.187 4.483 -3.828 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.252 4.021 -5.421 1.00 12.34 N ATOM 1738 CA GLY A 103 0.165 3.734 -5.264 1.00 1.51 C ATOM 1739 C GLY A 103 0.377 2.463 -4.440 1.00 42.14 C ATOM 1740 O GLY A 103 1.402 1.794 -4.575 1.00 30.21 O ATOM 0 H GLY A 103 -1.687 3.586 -6.234 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.627 3.618 -6.244 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.658 4.575 -4.776 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.606 2.167 -3.603 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.538 0.988 -2.758 1.00 12.24 C ATOM 1746 C PHE A 104 -0.648 -0.292 -3.589 1.00 72.13 C ATOM 1747 O PHE A 104 -1.355 -0.322 -4.596 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.726 1.059 -1.794 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.434 1.828 -0.503 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.657 1.267 0.462 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -1.953 3.072 -0.322 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.387 1.981 1.659 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.681 3.785 0.876 1.00 70.41 C ATOM 1754 CZ PHE A 104 -0.905 3.225 1.842 1.00 62.30 C ATOM 0 H PHE A 104 -1.454 2.723 -3.492 1.00 53.45 H new ATOM 0 HA PHE A 104 0.415 0.965 -2.230 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.567 1.530 -2.303 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.035 0.045 -1.539 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.246 0.279 0.318 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -2.571 3.517 -1.088 1.00 30.24 H new ATOM 0 HE1 PHE A 104 0.230 1.536 2.425 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -2.091 4.774 1.020 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.700 3.767 2.753 1.00 62.30 H new ATOM 1764 N LEU A 105 0.059 -1.317 -3.138 1.00 64.23 N ATOM 1765 CA LEU A 105 0.049 -2.595 -3.828 1.00 0.04 C ATOM 1766 C LEU A 105 -1.126 -3.435 -3.322 1.00 11.52 C ATOM 1767 O LEU A 105 -1.455 -3.398 -2.137 1.00 74.42 O ATOM 1768 CB LEU A 105 1.406 -3.289 -3.690 1.00 42.33 C ATOM 1769 CG LEU A 105 2.296 -3.274 -4.934 1.00 21.41 C ATOM 1770 CD1 LEU A 105 2.049 -4.509 -5.802 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.116 -1.974 -5.722 1.00 71.12 C ATOM 0 H LEU A 105 0.643 -1.288 -2.302 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.101 -2.449 -4.898 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.951 -2.818 -2.872 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.234 -4.326 -3.403 1.00 42.33 H new ATOM 0 HG LEU A 105 3.336 -3.313 -4.609 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.695 -4.472 -6.679 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.269 -5.408 -5.227 1.00 42.30 H new ATOM 0 HD13 LEU A 105 1.006 -4.528 -6.120 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.760 -1.989 -6.601 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.076 -1.879 -6.035 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.383 -1.126 -5.091 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.726 -4.172 -4.244 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.857 -5.020 -3.906 1.00 42.31 C ATOM 1785 C TYR A 106 -2.561 -6.485 -4.232 1.00 52.24 C ATOM 1786 O TYR A 106 -2.749 -6.922 -5.367 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.019 -4.539 -4.777 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.567 -3.166 -4.383 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.474 -3.056 -3.348 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -4.155 -2.037 -5.061 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -5.990 -1.764 -2.977 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -4.670 -0.745 -4.691 1.00 3.33 C ATOM 1793 CZ TYR A 106 -5.562 -0.672 -3.666 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.049 0.548 -3.316 1.00 44.34 O ATOM 0 H TYR A 106 -1.451 -4.200 -5.226 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.080 -4.957 -2.841 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.690 -4.503 -5.816 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.826 -5.270 -4.724 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.797 -3.939 -2.817 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -3.445 -2.123 -5.870 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.701 -1.664 -2.170 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -4.356 0.146 -5.215 1.00 3.33 H new ATOM 0 HH TYR A 106 -6.117 1.114 -4.113 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.105 -7.203 -3.217 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.782 -8.609 -3.382 1.00 40.22 C ATOM 1806 C VAL A 107 -2.852 -9.460 -2.695 1.00 71.32 C ATOM 1807 O VAL A 107 -3.688 -8.935 -1.958 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.370 -8.888 -2.858 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.298 -8.682 -1.344 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.090 -10.295 -3.242 1.00 51.41 C ATOM 0 H VAL A 107 -1.952 -6.837 -2.277 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.782 -8.878 -4.438 1.00 40.22 H new ATOM 0 HB VAL A 107 0.308 -8.175 -3.327 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.715 -8.886 -0.997 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.563 -7.652 -1.104 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.994 -9.360 -0.851 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.095 -10.467 -2.858 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.592 -11.030 -2.815 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.095 -10.392 -4.328 1.00 51.41 H new ATOM 1820 N THR A 108 -2.794 -10.756 -2.960 1.00 21.14 N ATOM 1821 CA THR A 108 -3.750 -11.682 -2.376 1.00 55.41 C ATOM 1822 C THR A 108 -3.132 -13.077 -2.253 1.00 62.50 C ATOM 1823 O THR A 108 -2.178 -13.401 -2.957 1.00 11.44 O ATOM 1824 CB THR A 108 -5.020 -11.651 -3.227 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.066 -10.320 -3.733 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.292 -11.775 -2.387 1.00 22.42 C ATOM 0 H THR A 108 -2.100 -11.187 -3.571 1.00 21.14 H new ATOM 0 HA THR A 108 -4.017 -11.388 -1.361 1.00 55.41 H new ATOM 0 HB THR A 108 -4.988 -12.460 -3.956 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.859 -10.212 -4.298 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.164 -11.747 -3.041 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.277 -12.719 -1.842 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.343 -10.948 -1.679 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.704 -13.866 -1.356 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.223 -15.218 -1.132 1.00 32.00 C ATOM 1836 C TYR A 109 -4.387 -16.184 -0.908 1.00 31.13 C ATOM 1837 O TYR A 109 -5.370 -15.836 -0.255 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.372 -15.159 0.137 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.183 -14.983 1.422 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.467 -13.715 1.889 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.631 -16.091 2.113 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.230 -13.550 3.100 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.394 -15.925 3.323 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.657 -14.662 3.757 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.377 -14.504 4.899 1.00 35.34 O ATOM 0 H TYR A 109 -4.497 -13.594 -0.775 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.660 -15.573 -1.995 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.786 -16.075 0.212 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.665 -14.334 0.050 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.118 -12.848 1.347 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.409 -17.082 1.746 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.458 -12.564 3.478 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.750 -16.783 3.874 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.616 -15.383 5.260 1.00 35.34 H new ATOM 1855 N SER A 110 -4.238 -17.380 -1.459 1.00 65.21 N ATOM 1856 CA SER A 110 -5.265 -18.399 -1.326 1.00 13.24 C ATOM 1857 C SER A 110 -4.620 -19.762 -1.067 1.00 41.23 C ATOM 1858 O SER A 110 -3.397 -19.888 -1.094 1.00 40.25 O ATOM 1859 CB SER A 110 -6.148 -18.458 -2.576 1.00 42.53 C ATOM 1860 OG SER A 110 -6.695 -17.184 -2.903 1.00 73.50 O ATOM 0 H SER A 110 -3.421 -17.666 -1.999 1.00 65.21 H new ATOM 0 HA SER A 110 -5.898 -18.137 -0.478 1.00 13.24 H new ATOM 0 HB2 SER A 110 -5.561 -18.828 -3.417 1.00 42.53 H new ATOM 0 HB3 SER A 110 -6.958 -19.170 -2.415 1.00 42.53 H new ATOM 0 HG SER A 110 -6.973 -17.179 -3.843 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.471 -20.747 -0.822 1.00 54.34 N ATOM 1867 CA GLY A 111 -5.000 -22.096 -0.559 1.00 10.15 C ATOM 1868 C GLY A 111 -4.835 -22.883 -1.861 1.00 11.13 C ATOM 1869 O GLY A 111 -4.492 -24.064 -1.838 1.00 34.05 O ATOM 0 H GLY A 111 -6.485 -20.638 -0.800 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -4.047 -22.056 -0.031 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.705 -22.610 0.094 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.088 -22.198 -2.966 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.972 -22.819 -4.274 1.00 65.25 C ATOM 1875 C GLU A 112 -3.902 -22.110 -5.106 1.00 62.14 C ATOM 1876 O GLU A 112 -3.674 -20.912 -4.940 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.319 -22.820 -5.002 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.877 -21.401 -5.124 1.00 43.23 C ATOM 1879 CD GLU A 112 -7.741 -21.045 -3.913 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -7.683 -21.737 -2.885 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -8.494 -20.008 -4.064 1.00 41.42 O ATOM 0 H GLU A 112 -5.373 -21.219 -2.982 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.669 -23.857 -4.135 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.200 -23.254 -5.995 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.028 -23.448 -4.462 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.056 -20.690 -5.211 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.469 -21.317 -6.035 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.272 -22.878 -5.982 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.231 -22.339 -6.839 1.00 34.31 C ATOM 1891 C ASN A 113 -2.847 -21.907 -8.172 1.00 20.23 C ATOM 1892 O ASN A 113 -2.129 -21.676 -9.144 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.159 -23.391 -7.132 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.074 -22.825 -8.052 1.00 12.10 C ATOM 1895 OD1 ASN A 113 0.129 -23.278 -9.166 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.610 -21.815 -7.524 1.00 31.33 N ATOM 0 H ASN A 113 -3.463 -23.871 -6.117 1.00 71.13 H new ATOM 0 HA ASN A 113 -1.775 -21.493 -6.325 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.710 -23.728 -6.198 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.618 -24.263 -7.598 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.357 -21.370 -8.058 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.388 -21.485 -6.585 1.00 31.33 H new ATOM 1903 N THR A 114 -4.167 -21.810 -8.173 1.00 2.32 N ATOM 1904 CA THR A 114 -4.887 -21.409 -9.370 1.00 50.23 C ATOM 1905 C THR A 114 -5.950 -20.362 -9.028 1.00 72.55 C ATOM 1906 O THR A 114 -5.998 -19.867 -7.904 1.00 12.33 O ATOM 1907 CB THR A 114 -5.463 -22.670 -10.020 1.00 73.22 C ATOM 1908 OG1 THR A 114 -4.400 -23.615 -9.943 1.00 70.52 O ATOM 1909 CG2 THR A 114 -5.702 -22.498 -11.521 1.00 53.33 C ATOM 0 H THR A 114 -4.758 -22.002 -7.364 1.00 2.32 H new ATOM 0 HA THR A 114 -4.223 -20.929 -10.089 1.00 50.23 H new ATOM 0 HB THR A 114 -6.401 -22.935 -9.532 1.00 73.22 H new ATOM 0 HG1 THR A 114 -4.687 -24.463 -10.341 1.00 70.52 H new ATOM 0 HG21 THR A 114 -6.111 -23.421 -11.932 1.00 53.33 H new ATOM 0 HG22 THR A 114 -6.407 -21.683 -11.686 1.00 53.33 H new ATOM 0 HG23 THR A 114 -4.759 -22.267 -12.016 1.00 53.33 H new ATOM 1917 N PHE A 115 -6.774 -20.058 -10.019 1.00 31.21 N ATOM 1918 CA PHE A 115 -7.834 -19.080 -9.838 1.00 74.33 C ATOM 1919 C PHE A 115 -9.211 -19.739 -9.925 1.00 52.11 C ATOM 1920 O PHE A 115 -9.731 -19.956 -11.017 1.00 2.34 O ATOM 1921 CB PHE A 115 -7.697 -18.059 -10.970 1.00 71.32 C ATOM 1922 CG PHE A 115 -7.368 -18.677 -12.330 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -6.088 -19.030 -12.624 1.00 42.14 C ATOM 1924 CD2 PHE A 115 -8.355 -18.874 -13.244 1.00 71.13 C ATOM 1925 CE1 PHE A 115 -5.783 -19.604 -13.886 1.00 70.23 C ATOM 1926 CE2 PHE A 115 -8.051 -19.448 -14.506 1.00 73.42 C ATOM 1927 CZ PHE A 115 -6.771 -19.802 -14.800 1.00 24.02 C ATOM 0 H PHE A 115 -6.730 -20.471 -10.950 1.00 31.21 H new ATOM 0 HA PHE A 115 -7.747 -18.614 -8.856 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -8.628 -17.497 -11.053 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -6.916 -17.345 -10.709 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -5.304 -18.874 -11.898 1.00 42.14 H new ATOM 0 HD2 PHE A 115 -9.371 -18.593 -13.010 1.00 71.13 H new ATOM 0 HE1 PHE A 115 -4.767 -19.884 -14.121 1.00 70.23 H new ATOM 0 HE2 PHE A 115 -8.835 -19.604 -15.232 1.00 73.42 H new ATOM 0 HZ PHE A 115 -6.539 -20.240 -15.759 1.00 24.02 H new ATOM 1937 N GLY A 116 -9.762 -20.040 -8.758 1.00 41.22 N ATOM 1938 CA GLY A 116 -11.069 -20.672 -8.689 1.00 63.52 C ATOM 1939 C GLY A 116 -11.350 -21.198 -7.280 1.00 53.54 C ATOM 1940 O GLY A 116 -12.400 -21.788 -7.032 1.00 21.00 O ATOM 0 H GLY A 116 -9.328 -19.858 -7.853 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -11.839 -19.955 -8.974 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -11.118 -21.493 -9.404 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -12.588 3.398 26.076 1.00 75.34 N ATOM 1946 CA GLY B 597 -13.139 4.731 25.897 1.00 34.21 C ATOM 1947 C GLY B 597 -14.290 4.717 24.887 1.00 23.30 C ATOM 1948 O GLY B 597 -14.597 3.677 24.305 1.00 40.31 O ATOM 0 HA2 GLY B 597 -13.495 5.113 26.854 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -12.357 5.409 25.554 1.00 34.21 H new ATOM 1952 N PRO B 598 -14.911 5.913 24.706 1.00 62.55 N ATOM 1953 CA PRO B 598 -16.020 6.048 23.778 1.00 62.45 C ATOM 1954 C PRO B 598 -15.527 6.046 22.329 1.00 14.31 C ATOM 1955 O PRO B 598 -14.638 6.818 21.972 1.00 53.31 O ATOM 1956 CB PRO B 598 -16.705 7.346 24.170 1.00 22.45 C ATOM 1957 CG PRO B 598 -15.691 8.122 24.993 1.00 50.22 C ATOM 1958 CD PRO B 598 -14.575 7.164 25.378 1.00 31.51 C ATOM 0 HA PRO B 598 -16.718 5.212 23.833 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -17.005 7.911 23.287 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -17.609 7.151 24.747 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -15.294 8.960 24.420 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -16.161 8.539 25.884 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -13.603 7.538 25.055 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -14.523 7.031 26.459 1.00 31.51 H new ATOM 1966 N HIS B 599 -16.125 5.171 21.535 1.00 20.43 N ATOM 1967 CA HIS B 599 -15.756 5.057 20.134 1.00 24.33 C ATOM 1968 C HIS B 599 -16.946 4.527 19.332 1.00 13.23 C ATOM 1969 O HIS B 599 -17.889 3.979 19.901 1.00 43.53 O ATOM 1970 CB HIS B 599 -14.500 4.199 19.969 1.00 5.22 C ATOM 1971 CG HIS B 599 -13.823 4.353 18.627 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -13.416 5.579 18.131 1.00 2.12 N ATOM 1973 CD2 HIS B 599 -13.486 3.425 17.688 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -12.859 5.384 16.943 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -12.905 4.048 16.670 1.00 14.21 N ATOM 0 H HIS B 599 -16.863 4.534 21.835 1.00 20.43 H new ATOM 0 HA HIS B 599 -15.505 6.042 19.740 1.00 24.33 H new ATOM 0 HB2 HIS B 599 -13.790 4.458 20.755 1.00 5.22 H new ATOM 0 HB3 HIS B 599 -14.766 3.152 20.112 1.00 5.22 H new ATOM 0 HD2 HIS B 599 -13.662 2.362 17.760 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -12.442 6.149 16.304 1.00 22.11 H new ATOM 0 HE2 HIS B 599 -12.551 3.602 15.824 1.00 14.21 H new ATOM 1984 N MET B 600 -16.864 4.709 18.022 1.00 35.21 N ATOM 1985 CA MET B 600 -17.923 4.256 17.135 1.00 63.23 C ATOM 1986 C MET B 600 -19.236 4.981 17.435 1.00 12.44 C ATOM 1987 O MET B 600 -20.310 4.504 17.071 1.00 13.20 O ATOM 1988 CB MET B 600 -18.119 2.748 17.306 1.00 40.24 C ATOM 1989 CG MET B 600 -18.595 2.108 15.999 1.00 42.43 C ATOM 1990 SD MET B 600 -17.357 2.320 14.731 1.00 51.21 S ATOM 1991 CE MET B 600 -18.143 3.577 13.738 1.00 71.31 C ATOM 0 H MET B 600 -16.081 5.164 17.553 1.00 35.21 H new ATOM 0 HA MET B 600 -17.634 4.480 16.108 1.00 63.23 H new ATOM 0 HB2 MET B 600 -17.182 2.289 17.620 1.00 40.24 H new ATOM 0 HB3 MET B 600 -18.847 2.559 18.095 1.00 40.24 H new ATOM 0 HG2 MET B 600 -18.791 1.047 16.154 1.00 42.43 H new ATOM 0 HG3 MET B 600 -19.534 2.563 15.682 1.00 42.43 H new ATOM 0 HE1 MET B 600 -18.486 3.139 12.801 1.00 71.31 H new ATOM 0 HE2 MET B 600 -18.995 3.989 14.279 1.00 71.31 H new ATOM 0 HE3 MET B 600 -17.429 4.373 13.526 1.00 71.31 H new ATOM 2001 N ILE B 601 -19.108 6.122 18.098 1.00 63.02 N ATOM 2002 CA ILE B 601 -20.272 6.916 18.451 1.00 4.30 C ATOM 2003 C ILE B 601 -20.923 7.456 17.175 1.00 60.31 C ATOM 2004 O ILE B 601 -20.331 8.274 16.471 1.00 72.44 O ATOM 2005 CB ILE B 601 -19.893 8.006 19.456 1.00 25.01 C ATOM 2006 CG1 ILE B 601 -19.585 7.401 20.827 1.00 55.25 C ATOM 2007 CG2 ILE B 601 -20.977 9.082 19.532 1.00 53.51 C ATOM 2008 CD1 ILE B 601 -20.869 7.175 21.628 1.00 12.21 C ATOM 0 H ILE B 601 -18.216 6.515 18.399 1.00 63.02 H new ATOM 0 HA ILE B 601 -21.016 6.297 18.952 1.00 4.30 H new ATOM 0 HB ILE B 601 -18.982 8.493 19.107 1.00 25.01 H new ATOM 0 HG12 ILE B 601 -19.060 6.454 20.701 1.00 55.25 H new ATOM 0 HG13 ILE B 601 -18.919 8.064 21.380 1.00 55.25 H new ATOM 0 HG21 ILE B 601 -20.683 9.844 20.253 1.00 53.51 H new ATOM 0 HG22 ILE B 601 -21.104 9.540 18.551 1.00 53.51 H new ATOM 0 HG23 ILE B 601 -21.918 8.629 19.846 1.00 53.51 H new ATOM 0 HD11 ILE B 601 -20.622 6.744 22.598 1.00 12.21 H new ATOM 0 HD12 ILE B 601 -21.380 8.127 21.773 1.00 12.21 H new ATOM 0 HD13 ILE B 601 -21.522 6.492 21.084 1.00 12.21 H new ATOM 2020 N SER B 602 -22.130 6.978 16.915 1.00 24.53 N ATOM 2021 CA SER B 602 -22.866 7.402 15.736 1.00 44.02 C ATOM 2022 C SER B 602 -24.261 6.773 15.736 1.00 51.34 C ATOM 2023 O SER B 602 -24.491 5.764 16.399 1.00 54.12 O ATOM 2024 CB SER B 602 -22.116 7.030 14.454 1.00 55.44 C ATOM 2025 OG SER B 602 -21.989 5.620 14.302 1.00 51.42 O ATOM 0 H SER B 602 -22.618 6.300 17.501 1.00 24.53 H new ATOM 0 HA SER B 602 -22.963 8.487 15.766 1.00 44.02 H new ATOM 0 HB2 SER B 602 -22.643 7.442 13.593 1.00 55.44 H new ATOM 0 HB3 SER B 602 -21.125 7.484 14.469 1.00 55.44 H new ATOM 0 HG SER B 602 -21.507 5.423 13.472 1.00 51.42 H new ATOM 2031 N GLY B 603 -25.155 7.396 14.984 1.00 22.21 N ATOM 2032 CA GLY B 603 -26.522 6.912 14.888 1.00 23.01 C ATOM 2033 C GLY B 603 -27.194 7.413 13.609 1.00 13.24 C ATOM 2034 O GLY B 603 -28.418 7.522 13.547 1.00 71.31 O ATOM 0 H GLY B 603 -24.960 8.233 14.435 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -26.527 5.822 14.902 1.00 23.01 H new ATOM 0 HA3 GLY B 603 -27.091 7.245 15.756 1.00 23.01 H new ATOM 2038 N LEU B 604 -26.365 7.706 12.618 1.00 23.11 N ATOM 2039 CA LEU B 604 -26.863 8.194 11.343 1.00 33.20 C ATOM 2040 C LEU B 604 -26.569 7.159 10.255 1.00 61.43 C ATOM 2041 O LEU B 604 -25.788 6.233 10.469 1.00 44.14 O ATOM 2042 CB LEU B 604 -26.295 9.582 11.042 1.00 63.33 C ATOM 2043 CG LEU B 604 -26.684 10.187 9.691 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -28.199 10.365 9.585 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -25.933 11.497 9.440 1.00 62.25 C ATOM 0 H LEU B 604 -25.351 7.615 12.672 1.00 23.11 H new ATOM 0 HA LEU B 604 -27.945 8.319 11.379 1.00 33.20 H new ATOM 0 HB2 LEU B 604 -26.617 10.263 11.829 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -25.208 9.527 11.094 1.00 63.33 H new ATOM 0 HG LEU B 604 -26.387 9.490 8.907 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -28.448 10.797 8.615 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -28.687 9.396 9.687 1.00 3.42 H new ATOM 0 HD13 LEU B 604 -28.544 11.030 10.377 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -26.228 11.906 8.474 1.00 62.25 H new ATOM 0 HD22 LEU B 604 -26.176 12.212 10.226 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -24.860 11.307 9.442 1.00 62.25 H new ATOM 2057 N SER B 605 -27.207 7.352 9.111 1.00 60.21 N ATOM 2058 CA SER B 605 -27.023 6.448 7.989 1.00 72.42 C ATOM 2059 C SER B 605 -25.555 6.030 7.890 1.00 55.33 C ATOM 2060 O SER B 605 -24.674 6.718 8.402 1.00 51.11 O ATOM 2061 CB SER B 605 -27.481 7.095 6.680 1.00 73.05 C ATOM 2062 OG SER B 605 -27.211 6.265 5.553 1.00 72.33 O ATOM 0 H SER B 605 -27.853 8.122 8.936 1.00 60.21 H new ATOM 0 HA SER B 605 -27.635 5.562 8.158 1.00 72.42 H new ATOM 0 HB2 SER B 605 -28.550 7.301 6.731 1.00 73.05 H new ATOM 0 HB3 SER B 605 -26.978 8.054 6.554 1.00 73.05 H new ATOM 0 HG SER B 605 -27.519 6.711 4.737 1.00 72.33 H new ATOM 2068 N VAL B 606 -25.338 4.904 7.225 1.00 13.10 N ATOM 2069 CA VAL B 606 -23.992 4.386 7.052 1.00 10.05 C ATOM 2070 C VAL B 606 -23.506 4.702 5.636 1.00 33.11 C ATOM 2071 O VAL B 606 -24.305 4.770 4.703 1.00 74.11 O ATOM 2072 CB VAL B 606 -23.960 2.890 7.375 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -22.564 2.309 7.147 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -24.436 2.629 8.805 1.00 64.30 C ATOM 0 H VAL B 606 -26.072 4.337 6.800 1.00 13.10 H new ATOM 0 HA VAL B 606 -23.305 4.869 7.747 1.00 10.05 H new ATOM 0 HB VAL B 606 -24.647 2.385 6.695 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -22.570 1.245 7.384 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -22.278 2.447 6.104 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -21.848 2.820 7.790 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -24.404 1.559 9.010 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -23.786 3.152 9.506 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -25.458 2.990 8.920 1.00 64.30 H new ATOM 2084 N ILE B 607 -22.199 4.887 5.520 1.00 53.13 N ATOM 2085 CA ILE B 607 -21.598 5.195 4.233 1.00 52.11 C ATOM 2086 C ILE B 607 -20.390 4.282 4.008 1.00 71.45 C ATOM 2087 O ILE B 607 -19.962 3.580 4.921 1.00 12.45 O ATOM 2088 CB ILE B 607 -21.269 6.685 4.137 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -22.443 7.538 4.623 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -20.835 7.061 2.720 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -23.492 7.705 3.522 1.00 71.40 C ATOM 0 H ILE B 607 -21.539 4.830 6.296 1.00 53.13 H new ATOM 0 HA ILE B 607 -22.303 4.997 3.426 1.00 52.11 H new ATOM 0 HB ILE B 607 -20.426 6.892 4.796 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -22.899 7.072 5.497 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -22.081 8.517 4.937 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -20.607 8.126 2.680 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -19.948 6.489 2.448 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -21.640 6.836 2.021 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -24.315 8.315 3.893 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -23.039 8.193 2.659 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -23.870 6.726 3.228 1.00 71.40 H new ATOM 2103 N LYS B 608 -19.878 4.324 2.787 1.00 54.41 N ATOM 2104 CA LYS B 608 -18.728 3.510 2.430 1.00 40.33 C ATOM 2105 C LYS B 608 -17.535 3.908 3.302 1.00 31.41 C ATOM 2106 O LYS B 608 -16.543 3.186 3.372 1.00 62.21 O ATOM 2107 CB LYS B 608 -18.450 3.603 0.928 1.00 33.02 C ATOM 2108 CG LYS B 608 -19.231 2.536 0.159 1.00 2.52 C ATOM 2109 CD LYS B 608 -18.791 1.130 0.569 1.00 35.40 C ATOM 2110 CE LYS B 608 -17.275 1.068 0.768 1.00 71.52 C ATOM 2111 NZ LYS B 608 -16.573 1.511 -0.457 1.00 1.31 N ATOM 0 H LYS B 608 -20.238 4.909 2.033 1.00 54.41 H new ATOM 0 HA LYS B 608 -18.931 2.458 2.628 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -18.725 4.593 0.564 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -17.383 3.481 0.744 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -20.298 2.656 0.347 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -19.079 2.670 -0.912 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -19.295 0.842 1.491 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -19.091 0.413 -0.196 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -16.986 1.700 1.608 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -16.976 0.050 1.017 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -15.885 0.786 -0.744 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -17.264 1.654 -1.221 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -16.076 2.405 -0.268 1.00 1.31 H new ATOM 2125 N GLN B 609 -17.673 5.060 3.945 1.00 50.12 N ATOM 2126 CA GLN B 609 -16.619 5.563 4.809 1.00 30.54 C ATOM 2127 C GLN B 609 -16.650 4.844 6.160 1.00 50.42 C ATOM 2128 O GLN B 609 -15.863 5.157 7.052 1.00 51.34 O ATOM 2129 CB GLN B 609 -16.739 7.077 4.993 1.00 75.51 C ATOM 2130 CG GLN B 609 -15.858 7.823 3.987 1.00 42.52 C ATOM 2131 CD GLN B 609 -16.703 8.444 2.874 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -16.707 9.646 2.659 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -17.416 7.562 2.180 1.00 24.14 N ATOM 0 H GLN B 609 -18.497 5.658 3.884 1.00 50.12 H new ATOM 0 HA GLN B 609 -15.659 5.361 4.334 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -17.778 7.381 4.867 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -16.448 7.348 6.008 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -15.295 8.603 4.499 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -15.130 7.136 3.556 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -17.366 6.570 2.413 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -18.013 7.877 1.415 1.00 24.14 H new ATOM 2142 N GLU B 610 -17.567 3.893 6.267 1.00 74.31 N ATOM 2143 CA GLU B 610 -17.711 3.126 7.492 1.00 25.44 C ATOM 2144 C GLU B 610 -16.337 2.715 8.025 1.00 44.11 C ATOM 2145 O GLU B 610 -15.331 2.860 7.333 1.00 14.02 O ATOM 2146 CB GLU B 610 -18.603 1.904 7.273 1.00 15.33 C ATOM 2147 CG GLU B 610 -18.098 1.059 6.102 1.00 10.24 C ATOM 2148 CD GLU B 610 -19.055 -0.098 5.806 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -19.063 -1.098 6.540 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -19.809 0.069 4.774 1.00 64.00 O ATOM 0 H GLU B 610 -18.218 3.637 5.525 1.00 74.31 H new ATOM 0 HA GLU B 610 -18.194 3.757 8.238 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -18.626 1.299 8.179 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -19.626 2.226 7.079 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -17.994 1.685 5.216 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -17.108 0.666 6.333 1.00 10.24 H new ATOM 2158 N VAL B 611 -16.341 2.208 9.248 1.00 40.31 N ATOM 2159 CA VAL B 611 -15.107 1.773 9.882 1.00 23.14 C ATOM 2160 C VAL B 611 -15.389 0.546 10.752 1.00 74.53 C ATOM 2161 O VAL B 611 -16.509 0.362 11.225 1.00 54.30 O ATOM 2162 CB VAL B 611 -14.485 2.930 10.666 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -15.562 3.893 11.169 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -13.629 2.412 11.823 1.00 41.14 C ATOM 0 H VAL B 611 -17.179 2.088 9.818 1.00 40.31 H new ATOM 0 HA VAL B 611 -14.376 1.477 9.129 1.00 23.14 H new ATOM 0 HB VAL B 611 -13.833 3.481 9.988 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -15.093 4.706 11.723 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -16.110 4.301 10.320 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -16.251 3.359 11.823 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -13.199 3.255 12.363 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -14.249 1.825 12.500 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -12.828 1.786 11.431 1.00 41.14 H new ATOM 2174 N GLU B 612 -14.355 -0.262 10.934 1.00 53.42 N ATOM 2175 CA GLU B 612 -14.477 -1.465 11.737 1.00 32.05 C ATOM 2176 C GLU B 612 -13.730 -1.297 13.063 1.00 35.50 C ATOM 2177 O GLU B 612 -14.295 -0.813 14.041 1.00 5.21 O ATOM 2178 CB GLU B 612 -13.969 -2.689 10.974 1.00 3.50 C ATOM 2179 CG GLU B 612 -12.920 -2.290 9.934 1.00 33.52 C ATOM 2180 CD GLU B 612 -13.576 -1.628 8.720 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -12.947 -0.787 8.059 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -14.780 -2.015 8.472 1.00 41.42 O ATOM 0 H GLU B 612 -13.428 -0.106 10.538 1.00 53.42 H new ATOM 0 HA GLU B 612 -15.533 -1.626 11.954 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -13.538 -3.405 11.674 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -14.804 -3.187 10.481 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -12.201 -1.605 10.382 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -12.364 -3.172 9.616 1.00 33.52 H new ATOM 2190 N ARG B 613 -12.470 -1.707 13.051 1.00 12.02 N ATOM 2191 CA ARG B 613 -11.640 -1.608 14.238 1.00 41.35 C ATOM 2192 C ARG B 613 -10.619 -0.479 14.082 1.00 24.23 C ATOM 2193 O ARG B 613 -10.181 0.109 15.069 1.00 43.52 O ATOM 2194 CB ARG B 613 -10.900 -2.921 14.505 1.00 13.42 C ATOM 2195 CG ARG B 613 -10.439 -3.565 13.196 1.00 61.03 C ATOM 2196 CD ARG B 613 -9.540 -4.774 13.467 1.00 71.31 C ATOM 2197 NE ARG B 613 -9.754 -5.805 12.426 1.00 61.42 N ATOM 2198 CZ ARG B 613 -9.538 -7.125 12.614 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -9.100 -7.585 13.805 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -9.761 -7.958 11.615 1.00 25.13 N ATOM 0 H ARG B 613 -12.004 -2.109 12.237 1.00 12.02 H new ATOM 0 HA ARG B 613 -12.296 -1.395 15.082 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -10.038 -2.733 15.146 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -11.553 -3.608 15.043 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -11.307 -3.876 12.614 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -9.899 -2.832 12.597 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -8.495 -4.466 13.476 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -9.759 -5.188 14.451 1.00 71.31 H new ATOM 0 HE ARG B 613 -10.085 -5.500 11.511 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -8.930 -6.934 14.572 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -8.940 -8.583 13.938 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -10.091 -7.602 10.718 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -9.603 -8.958 11.740 1.00 25.13 H new ATOM 2214 N LEU B 614 -10.271 -0.210 12.832 1.00 54.24 N ATOM 2215 CA LEU B 614 -9.311 0.839 12.532 1.00 61.12 C ATOM 2216 C LEU B 614 -10.038 2.183 12.451 1.00 40.40 C ATOM 2217 O LEU B 614 -10.996 2.328 11.694 1.00 75.01 O ATOM 2218 CB LEU B 614 -8.515 0.493 11.272 1.00 22.24 C ATOM 2219 CG LEU B 614 -7.242 -0.327 11.488 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -7.538 -1.827 11.425 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -6.151 0.083 10.497 1.00 23.23 C ATOM 0 H LEU B 614 -10.636 -0.700 12.016 1.00 54.24 H new ATOM 0 HA LEU B 614 -8.576 0.922 13.332 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -9.167 -0.057 10.594 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -8.244 1.422 10.770 1.00 22.24 H new ATOM 0 HG LEU B 614 -6.865 -0.115 12.489 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -6.616 -2.387 11.582 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -8.258 -2.089 12.201 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -7.952 -2.076 10.448 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -5.257 -0.515 10.672 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -6.504 -0.081 9.479 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -5.914 1.138 10.633 1.00 23.23 H new ATOM 2233 N GLY B 615 -9.555 3.131 13.240 1.00 40.14 N ATOM 2234 CA GLY B 615 -10.146 4.457 13.267 1.00 55.23 C ATOM 2235 C GLY B 615 -9.083 5.537 13.057 1.00 22.31 C ATOM 2236 O GLY B 615 -9.164 6.318 12.110 1.00 54.11 O ATOM 0 H GLY B 615 -8.760 3.006 13.866 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -10.907 4.535 12.491 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -10.647 4.616 14.222 1.00 55.23 H new ATOM 2240 N ASN B 616 -8.109 5.546 13.955 1.00 44.14 N ATOM 2241 CA ASN B 616 -7.030 6.516 13.881 1.00 32.45 C ATOM 2242 C ASN B 616 -6.368 6.433 12.504 1.00 32.00 C ATOM 2243 O ASN B 616 -6.884 5.772 11.603 1.00 44.11 O ATOM 2244 CB ASN B 616 -5.961 6.233 14.939 1.00 34.14 C ATOM 2245 CG ASN B 616 -5.427 7.534 15.539 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -6.168 8.387 16.001 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -4.100 7.639 15.509 1.00 63.11 N ATOM 0 H ASN B 616 -8.045 4.896 14.739 1.00 44.14 H new ATOM 0 HA ASN B 616 -7.454 7.505 14.053 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -6.381 5.610 15.728 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -5.141 5.671 14.492 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -3.646 8.470 15.887 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -3.538 6.888 15.108 1.00 63.11 H new ATOM 2254 N ASP B 617 -5.236 7.111 12.384 1.00 35.43 N ATOM 2255 CA ASP B 617 -4.500 7.121 11.133 1.00 0.54 C ATOM 2256 C ASP B 617 -4.232 5.681 10.692 1.00 31.41 C ATOM 2257 O ASP B 617 -4.742 4.738 11.295 1.00 64.21 O ATOM 2258 CB ASP B 617 -3.150 7.825 11.294 1.00 3.41 C ATOM 2259 CG ASP B 617 -3.233 9.288 11.735 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -2.770 10.195 11.028 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -3.808 9.482 12.873 1.00 32.53 O ATOM 0 H ASP B 617 -4.811 7.657 13.133 1.00 35.43 H new ATOM 0 HA ASP B 617 -5.099 7.653 10.394 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -2.555 7.275 12.023 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -2.616 7.777 10.345 1.00 3.41 H new ATOM 2267 N VAL B 618 -3.433 5.557 9.642 1.00 60.45 N ATOM 2268 CA VAL B 618 -3.091 4.247 9.113 1.00 71.01 C ATOM 2269 C VAL B 618 -2.341 3.450 10.182 1.00 52.14 C ATOM 2270 O VAL B 618 -1.380 3.943 10.771 1.00 72.10 O ATOM 2271 CB VAL B 618 -2.297 4.398 7.813 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -2.333 3.106 6.996 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -2.812 5.582 6.993 1.00 73.24 C ATOM 0 H VAL B 618 -3.013 6.342 9.144 1.00 60.45 H new ATOM 0 HA VAL B 618 -3.993 3.688 8.864 1.00 71.01 H new ATOM 0 HB VAL B 618 -1.258 4.598 8.074 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -1.761 3.240 6.078 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -1.898 2.295 7.579 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -3.366 2.861 6.748 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -2.232 5.668 6.074 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -3.862 5.424 6.746 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -2.710 6.499 7.574 1.00 73.24 H new ATOM 2283 N PHE B 619 -2.809 2.230 10.400 1.00 25.44 N ATOM 2284 CA PHE B 619 -2.194 1.358 11.389 1.00 11.22 C ATOM 2285 C PHE B 619 -2.500 1.837 12.808 1.00 72.23 C ATOM 2286 O PHE B 619 -1.680 1.684 13.711 1.00 20.52 O ATOM 2287 CB PHE B 619 -0.683 1.418 11.157 1.00 22.20 C ATOM 2288 CG PHE B 619 -0.274 1.369 9.684 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -0.578 0.278 8.931 1.00 44.43 C ATOM 2290 CD2 PHE B 619 0.391 2.416 9.128 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.200 0.233 7.562 1.00 2.14 C ATOM 2292 CE2 PHE B 619 0.769 2.371 7.760 1.00 51.22 C ATOM 2293 CZ PHE B 619 0.465 1.280 7.007 1.00 0.11 C ATOM 0 H PHE B 619 -3.606 1.824 9.910 1.00 25.44 H new ATOM 0 HA PHE B 619 -2.582 0.345 11.286 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -0.294 2.335 11.600 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -0.213 0.586 11.681 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.106 -0.554 9.373 1.00 44.43 H new ATOM 0 HD2 PHE B 619 0.632 3.282 9.727 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -0.441 -0.633 6.963 1.00 2.14 H new ATOM 0 HE2 PHE B 619 1.298 3.203 7.318 1.00 51.22 H new ATOM 0 HZ PHE B 619 0.753 1.246 5.967 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.686 2.411 12.962 1.00 25.21 N ATOM 2304 CA GLU B 620 -4.112 2.913 14.257 1.00 20.41 C ATOM 2305 C GLU B 620 -3.839 1.873 15.346 1.00 10.51 C ATOM 2306 O GLU B 620 -3.550 2.226 16.489 1.00 10.54 O ATOM 2307 CB GLU B 620 -5.590 3.307 14.234 1.00 32.30 C ATOM 2308 CG GLU B 620 -6.476 2.093 13.951 1.00 52.04 C ATOM 2309 CD GLU B 620 -7.315 1.728 15.178 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -7.898 2.617 15.817 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -7.351 0.470 15.460 1.00 53.42 O ATOM 0 H GLU B 620 -4.364 2.539 12.211 1.00 25.21 H new ATOM 0 HA GLU B 620 -3.535 3.809 14.484 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -5.867 3.749 15.191 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -5.755 4.068 13.472 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -7.133 2.306 13.107 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -5.855 1.244 13.665 1.00 52.04 H new ATOM 2319 N TRP B 621 -3.939 0.612 14.955 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.707 -0.481 15.883 1.00 24.13 C ATOM 2321 C TRP B 621 -2.206 -0.547 16.170 1.00 42.02 C ATOM 2322 O TRP B 621 -1.408 0.067 15.463 1.00 11.11 O ATOM 2323 CB TRP B 621 -4.271 -1.795 15.335 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.333 -2.516 14.364 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.214 -3.196 14.649 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -3.482 -2.602 12.930 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -1.633 -3.712 13.509 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -2.428 -3.339 12.431 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -4.474 -2.075 12.085 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -2.264 -3.616 11.069 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -4.296 -2.360 10.727 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -3.241 -3.101 10.207 1.00 64.22 C ATOM 0 H TRP B 621 -4.178 0.322 14.007 1.00 11.35 H new ATOM 0 HA TRP B 621 -4.233 -0.308 16.822 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.494 -2.459 16.170 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -5.215 -1.591 14.829 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -1.817 -3.324 15.645 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -0.777 -4.265 13.465 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -5.307 -1.496 12.455 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -1.430 -4.195 10.702 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -5.030 -1.977 10.034 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -3.175 -3.279 9.144 1.00 64.22 H new ATOM 2343 N GLU B 622 -1.865 -1.300 17.206 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.475 -1.453 17.594 1.00 41.33 C ATOM 2345 C GLU B 622 0.402 -1.660 16.358 1.00 13.42 C ATOM 2346 O GLU B 622 -0.100 -1.999 15.287 1.00 1.24 O ATOM 2347 CB GLU B 622 -0.306 -2.607 18.585 1.00 62.13 C ATOM 2348 CG GLU B 622 1.125 -2.664 19.121 1.00 34.31 C ATOM 2349 CD GLU B 622 1.537 -1.324 19.731 1.00 41.32 C ATOM 2350 OE1 GLU B 622 2.718 -0.950 19.667 1.00 64.15 O ATOM 2351 OE2 GLU B 622 0.581 -0.662 20.287 1.00 44.04 O ATOM 0 H GLU B 622 -2.529 -1.811 17.788 1.00 25.53 H new ATOM 0 HA GLU B 622 -0.155 -0.538 18.093 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -1.004 -2.485 19.413 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -0.553 -3.550 18.097 1.00 62.13 H new ATOM 0 HG2 GLU B 622 1.204 -3.449 19.873 1.00 34.31 H new ATOM 0 HG3 GLU B 622 1.809 -2.925 18.314 1.00 34.31 H new ATOM 2359 N ASP B 623 1.696 -1.449 16.546 1.00 21.43 N ATOM 2360 CA ASP B 623 2.648 -1.608 15.459 1.00 72.32 C ATOM 2361 C ASP B 623 2.191 -0.771 14.263 1.00 14.13 C ATOM 2362 O ASP B 623 1.302 -1.180 13.518 1.00 14.44 O ATOM 2363 CB ASP B 623 2.732 -3.069 15.010 1.00 24.22 C ATOM 2364 CG ASP B 623 3.429 -4.009 15.995 1.00 54.21 C ATOM 2365 OD1 ASP B 623 2.784 -4.847 16.644 1.00 4.31 O ATOM 2366 OD2 ASP B 623 4.705 -3.855 16.086 1.00 14.51 O ATOM 0 H ASP B 623 2.108 -1.169 17.436 1.00 21.43 H new ATOM 0 HA ASP B 623 3.626 -1.284 15.815 1.00 72.32 H new ATOM 0 HB2 ASP B 623 1.722 -3.437 14.832 1.00 24.22 H new ATOM 0 HB3 ASP B 623 3.259 -3.111 14.057 1.00 24.22 H new ATOM 2372 N ASP B 624 2.823 0.385 14.115 1.00 63.21 N ATOM 2373 CA ASP B 624 2.494 1.282 13.021 1.00 2.44 C ATOM 2374 C ASP B 624 3.111 0.750 11.726 1.00 5.53 C ATOM 2375 O ASP B 624 2.393 0.298 10.834 1.00 43.52 O ATOM 2376 CB ASP B 624 3.055 2.683 13.271 1.00 43.24 C ATOM 2377 CG ASP B 624 2.047 3.695 13.821 1.00 11.11 C ATOM 2378 OD1 ASP B 624 2.015 4.859 13.393 1.00 61.32 O ATOM 2379 OD2 ASP B 624 1.263 3.241 14.738 1.00 24.20 O ATOM 0 H ASP B 624 3.561 0.720 14.735 1.00 63.21 H new ATOM 0 HA ASP B 624 1.408 1.336 12.945 1.00 2.44 H new ATOM 0 HB2 ASP B 624 3.887 2.605 13.970 1.00 43.24 H new ATOM 0 HB3 ASP B 624 3.460 3.068 12.335 1.00 43.24 H new ATOM 2385 N GLU B 625 4.432 0.819 11.665 1.00 20.02 N ATOM 2386 CA GLU B 625 5.152 0.350 10.495 1.00 44.10 C ATOM 2387 C GLU B 625 6.031 -0.848 10.858 1.00 71.11 C ATOM 2388 O GLU B 625 6.982 -1.165 10.142 1.00 31.20 O ATOM 2389 CB GLU B 625 5.987 1.474 9.876 1.00 13.31 C ATOM 2390 CG GLU B 625 6.989 2.033 10.888 1.00 75.10 C ATOM 2391 CD GLU B 625 8.273 2.489 10.191 1.00 32.24 C ATOM 2392 OE1 GLU B 625 8.698 1.870 9.204 1.00 75.01 O ATOM 2393 OE2 GLU B 625 8.834 3.528 10.711 1.00 11.44 O ATOM 0 H GLU B 625 5.023 1.193 12.408 1.00 20.02 H new ATOM 0 HA GLU B 625 4.424 0.030 9.750 1.00 44.10 H new ATOM 0 HB2 GLU B 625 6.519 1.098 9.002 1.00 13.31 H new ATOM 0 HB3 GLU B 625 5.330 2.272 9.530 1.00 13.31 H new ATOM 0 HG2 GLU B 625 6.543 2.872 11.422 1.00 75.10 H new ATOM 0 HG3 GLU B 625 7.225 1.271 11.631 1.00 75.10 H new ATOM 2401 N SER B 626 5.683 -1.482 11.968 1.00 3.43 N ATOM 2402 CA SER B 626 6.430 -2.638 12.435 1.00 72.44 C ATOM 2403 C SER B 626 6.852 -3.503 11.246 1.00 60.04 C ATOM 2404 O SER B 626 6.231 -3.453 10.186 1.00 70.54 O ATOM 2405 CB SER B 626 5.605 -3.463 13.424 1.00 35.15 C ATOM 2406 OG SER B 626 6.362 -4.524 13.998 1.00 4.03 O ATOM 0 H SER B 626 4.894 -1.217 12.558 1.00 3.43 H new ATOM 0 HA SER B 626 7.321 -2.283 12.953 1.00 72.44 H new ATOM 0 HB2 SER B 626 5.234 -2.813 14.216 1.00 35.15 H new ATOM 0 HB3 SER B 626 4.734 -3.874 12.914 1.00 35.15 H new ATOM 0 HG SER B 626 6.067 -4.674 14.920 1.00 4.03 H new ATOM 2412 N ASP B 627 7.905 -4.277 11.462 1.00 24.54 N ATOM 2413 CA ASP B 627 8.418 -5.152 10.422 1.00 32.12 C ATOM 2414 C ASP B 627 7.763 -6.528 10.551 1.00 14.14 C ATOM 2415 O ASP B 627 8.311 -7.528 10.086 1.00 24.25 O ATOM 2416 CB ASP B 627 9.931 -5.334 10.553 1.00 1.41 C ATOM 2417 CG ASP B 627 10.702 -4.077 10.955 1.00 61.45 C ATOM 2418 OD1 ASP B 627 11.353 -4.037 12.011 1.00 61.00 O ATOM 2419 OD2 ASP B 627 10.616 -3.093 10.124 1.00 21.33 O ATOM 0 H ASP B 627 8.417 -4.316 12.343 1.00 24.54 H new ATOM 0 HA ASP B 627 8.192 -4.698 9.457 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.125 -6.112 11.291 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.322 -5.693 9.601 1.00 1.41 H new ATOM 2425 N GLU B 628 6.599 -6.537 11.184 1.00 14.44 N ATOM 2426 CA GLU B 628 5.863 -7.775 11.379 1.00 65.14 C ATOM 2427 C GLU B 628 4.958 -8.050 10.177 1.00 32.14 C ATOM 2428 O GLU B 628 4.398 -9.138 10.054 1.00 70.04 O ATOM 2429 CB GLU B 628 5.052 -7.732 12.676 1.00 14.41 C ATOM 2430 CG GLU B 628 3.854 -6.790 12.543 1.00 3.20 C ATOM 2431 CD GLU B 628 2.883 -6.968 13.711 1.00 42.30 C ATOM 2432 OE1 GLU B 628 1.852 -7.640 13.564 1.00 1.42 O ATOM 2433 OE2 GLU B 628 3.232 -6.378 14.805 1.00 3.33 O ATOM 0 H GLU B 628 6.147 -5.707 11.568 1.00 14.44 H new ATOM 0 HA GLU B 628 6.580 -8.591 11.464 1.00 65.14 H new ATOM 0 HB2 GLU B 628 4.705 -8.735 12.925 1.00 14.41 H new ATOM 0 HB3 GLU B 628 5.689 -7.402 13.497 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.201 -5.757 12.509 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.337 -6.984 11.603 1.00 3.20 H new ATOM 2441 N ILE B 629 4.845 -7.047 9.319 1.00 24.41 N ATOM 2442 CA ILE B 629 4.019 -7.168 8.131 1.00 43.42 C ATOM 2443 C ILE B 629 4.913 -7.432 6.918 1.00 31.11 C ATOM 2444 O ILE B 629 4.584 -7.037 5.801 1.00 23.45 O ATOM 2445 CB ILE B 629 3.121 -5.939 7.976 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.893 -4.654 8.275 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.863 -6.067 8.838 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.169 -4.571 7.434 1.00 61.41 C ATOM 0 H ILE B 629 5.312 -6.146 9.423 1.00 24.41 H new ATOM 0 HA ILE B 629 3.344 -8.019 8.222 1.00 43.42 H new ATOM 0 HB ILE B 629 2.795 -5.883 6.937 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.261 -3.790 8.069 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.148 -4.617 9.334 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.242 -5.180 8.709 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.302 -6.950 8.534 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.148 -6.161 9.886 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.699 -3.647 7.667 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.810 -5.423 7.660 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.909 -4.583 6.376 1.00 61.41 H new ATOM 2460 N ALA B 630 6.026 -8.101 7.179 1.00 41.41 N ATOM 2461 CA ALA B 630 6.971 -8.424 6.122 1.00 34.31 C ATOM 2462 C ALA B 630 6.309 -9.376 5.125 1.00 73.25 C ATOM 2463 O ALA B 630 5.084 -9.489 5.090 1.00 11.20 O ATOM 2464 CB ALA B 630 8.241 -9.016 6.737 1.00 15.34 C ATOM 0 H ALA B 630 6.295 -8.429 8.107 1.00 41.41 H new ATOM 0 HA ALA B 630 7.260 -7.525 5.577 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.950 -9.258 5.945 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.689 -8.290 7.416 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.990 -9.922 7.289 1.00 15.34 H new TER 2470 ALA B 630