USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 988 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 104 GLN :FLIP amide:sc= -4.73! C(o=-11!,f=-8.4!) USER MOD Set 1.2: A 141 HIS : no HD1:sc= 0.337 K(o=-8.4,f=-11) USER MOD Set 1.3: A 145 GLN :FLIP amide:sc= -4.01! C(o=-10!,f=-8.4!) USER MOD Set 2.1: A 132 SER OG : rot 151:sc= 0.495 USER MOD Set 2.2: A 135 GLN : amide:sc= -0.193 K(o=0.3,f=-0.33) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0714 K(o=-0.071,f=-0.64) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.11 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 82 SER OG : rot 46:sc= 0.0677 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 161:sc= -1.54 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.59) USER MOD Single : A 97 THR OG1 : rot -83:sc= -1.63 USER MOD Single : A 100 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.29) USER MOD Single : A 102 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.14) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0598 USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 0.0858 (180deg=0.0572) USER MOD Single : A 114 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.4!) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 168:sc= 0.201 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.3) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -58:sc= -0.241 USER MOD Single : B 518 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.56) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 180:sc= 0 USER MOD Single : B 529 SER OG : rot -52:sc= 0.0764 USER MOD Single : B 531 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 532 ASN : amide:sc= -0.0426 K(o=-0.043,f=-0.72) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= -1.69 K(o=-1.7,f=-7!) USER MOD Single : B 537 SER OG : rot 37:sc= 0.123 USER MOD Single : B 541 SER OG : rot 180:sc= 0 USER MOD Single : B 545 LYS NZ :NH3+ -145:sc= -0.135 (180deg=-0.594) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= -0.752 USER MOD Single : B 558 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.37) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 -0.456 -8.686 -48.142 1.00 74.20 N ATOM 2 CA MET A 69 0.205 -8.112 -46.976 1.00 31.11 C ATOM 3 C MET A 69 1.649 -8.596 -46.876 1.00 50.54 C ATOM 4 O MET A 69 2.067 -9.118 -45.843 1.00 3.54 O ATOM 5 CB MET A 69 -0.556 -8.475 -45.700 1.00 33.12 C ATOM 6 CG MET A 69 -0.688 -9.973 -45.476 1.00 34.21 C ATOM 7 SD MET A 69 -2.199 -10.651 -46.188 1.00 30.11 S ATOM 8 CE MET A 69 -3.179 -10.918 -44.713 1.00 32.55 C ATOM 0 HA MET A 69 0.210 -7.028 -47.090 1.00 31.11 H new ATOM 0 HB2 MET A 69 -0.047 -8.032 -44.844 1.00 33.12 H new ATOM 0 HB3 MET A 69 -1.552 -8.033 -45.742 1.00 33.12 H new ATOM 0 HG2 MET A 69 0.173 -10.479 -45.912 1.00 34.21 H new ATOM 0 HG3 MET A 69 -0.671 -10.179 -44.406 1.00 34.21 H new ATOM 0 HE1 MET A 69 -4.147 -11.336 -44.990 1.00 32.55 H new ATOM 0 HE2 MET A 69 -2.660 -11.612 -44.052 1.00 32.55 H new ATOM 0 HE3 MET A 69 -3.328 -9.969 -44.198 1.00 32.55 H new ATOM 18 N ASP A 70 2.403 -8.418 -47.955 1.00 23.23 N ATOM 19 CA ASP A 70 3.800 -8.837 -47.988 1.00 34.14 C ATOM 20 C ASP A 70 4.690 -7.816 -47.285 1.00 65.45 C ATOM 21 O ASP A 70 4.300 -6.666 -47.093 1.00 24.10 O ATOM 22 CB ASP A 70 4.264 -9.025 -49.433 1.00 21.10 C ATOM 23 CG ASP A 70 3.363 -9.962 -50.213 1.00 71.45 C ATOM 24 OD1 ASP A 70 2.528 -9.465 -50.997 1.00 15.14 O ATOM 25 OD2 ASP A 70 3.491 -11.192 -50.038 1.00 53.42 O1- ATOM 0 H ASP A 70 2.071 -7.987 -48.818 1.00 23.23 H new ATOM 0 HA ASP A 70 3.881 -9.788 -47.461 1.00 34.14 H new ATOM 0 HB2 ASP A 70 4.294 -8.056 -49.931 1.00 21.10 H new ATOM 0 HB3 ASP A 70 5.281 -9.417 -49.437 1.00 21.10 H new ATOM 30 N ASN A 71 5.887 -8.248 -46.901 1.00 22.14 N ATOM 31 CA ASN A 71 6.832 -7.373 -46.215 1.00 34.12 C ATOM 32 C ASN A 71 6.253 -6.877 -44.894 1.00 4.12 C ATOM 33 O ASN A 71 6.150 -5.672 -44.663 1.00 65.53 O ATOM 34 CB ASN A 71 7.193 -6.183 -47.106 1.00 71.13 C ATOM 35 CG ASN A 71 7.504 -6.600 -48.531 1.00 0.32 C ATOM 36 OD1 ASN A 71 7.944 -7.723 -48.778 1.00 3.23 O ATOM 37 ND2 ASN A 71 7.277 -5.695 -49.475 1.00 4.42 N ATOM 0 H ASN A 71 6.226 -9.198 -47.053 1.00 22.14 H new ATOM 0 HA ASN A 71 7.734 -7.947 -46.002 1.00 34.12 H new ATOM 0 HB2 ASN A 71 6.367 -5.472 -47.111 1.00 71.13 H new ATOM 0 HB3 ASN A 71 8.056 -5.666 -46.685 1.00 71.13 H new ATOM 0 HD21 ASN A 71 7.468 -5.918 -50.452 1.00 4.42 H new ATOM 0 HD22 ASN A 71 6.912 -4.776 -49.224 1.00 4.42 H new ATOM 44 N SER A 72 5.878 -7.814 -44.029 1.00 3.04 N ATOM 45 CA SER A 72 5.308 -7.472 -42.731 1.00 45.25 C ATOM 46 C SER A 72 6.369 -7.538 -41.637 1.00 31.43 C ATOM 47 O SER A 72 6.689 -6.531 -41.008 1.00 24.42 O ATOM 48 CB SER A 72 4.152 -8.416 -42.394 1.00 33.44 C ATOM 49 OG SER A 72 3.803 -8.327 -41.023 1.00 30.22 O ATOM 0 H SER A 72 5.959 -8.816 -44.204 1.00 3.04 H new ATOM 0 HA SER A 72 4.930 -6.451 -42.785 1.00 45.25 H new ATOM 0 HB2 SER A 72 3.287 -8.170 -43.009 1.00 33.44 H new ATOM 0 HB3 SER A 72 4.434 -9.441 -42.635 1.00 33.44 H new ATOM 0 HG SER A 72 3.061 -8.939 -40.834 1.00 30.22 H new ATOM 55 N ALA A 73 6.908 -8.733 -41.416 1.00 32.23 N ATOM 56 CA ALA A 73 7.935 -8.930 -40.400 1.00 1.24 C ATOM 57 C ALA A 73 9.288 -8.417 -40.878 1.00 73.54 C ATOM 58 O ALA A 73 10.188 -9.199 -41.183 1.00 43.12 O ATOM 59 CB ALA A 73 8.028 -10.402 -40.026 1.00 50.03 C ATOM 0 H ALA A 73 6.651 -9.578 -41.926 1.00 32.23 H new ATOM 0 HA ALA A 73 7.652 -8.357 -39.517 1.00 1.24 H new ATOM 0 HB1 ALA A 73 8.798 -10.536 -39.267 1.00 50.03 H new ATOM 0 HB2 ALA A 73 7.069 -10.739 -39.633 1.00 50.03 H new ATOM 0 HB3 ALA A 73 8.284 -10.986 -40.910 1.00 50.03 H new ATOM 65 N SER A 74 9.425 -7.096 -40.944 1.00 65.05 N ATOM 66 CA SER A 74 10.668 -6.477 -41.390 1.00 24.22 C ATOM 67 C SER A 74 11.566 -6.144 -40.203 1.00 51.35 C ATOM 68 O SER A 74 12.778 -6.352 -40.247 1.00 13.12 O ATOM 69 CB SER A 74 10.371 -5.209 -42.193 1.00 11.40 C ATOM 70 OG SER A 74 9.577 -5.499 -43.330 1.00 64.15 O ATOM 0 H SER A 74 8.690 -6.434 -40.694 1.00 65.05 H new ATOM 0 HA SER A 74 11.191 -7.189 -42.029 1.00 24.22 H new ATOM 0 HB2 SER A 74 9.855 -4.487 -41.560 1.00 11.40 H new ATOM 0 HB3 SER A 74 11.307 -4.747 -42.507 1.00 11.40 H new ATOM 0 HG SER A 74 9.400 -4.672 -43.825 1.00 64.15 H new ATOM 76 N LYS A 75 10.961 -5.624 -39.140 1.00 51.20 N ATOM 77 CA LYS A 75 11.702 -5.261 -37.938 1.00 61.13 C ATOM 78 C LYS A 75 11.974 -6.489 -37.075 1.00 14.21 C ATOM 79 O LYS A 75 11.086 -7.312 -36.855 1.00 53.03 O ATOM 80 CB LYS A 75 10.927 -4.218 -37.131 1.00 4.54 C ATOM 81 CG LYS A 75 11.766 -3.517 -36.076 1.00 70.10 C ATOM 82 CD LYS A 75 10.968 -2.451 -35.347 1.00 22.54 C ATOM 83 CE LYS A 75 11.879 -1.434 -34.675 1.00 42.01 C ATOM 84 NZ LYS A 75 12.511 -1.985 -33.444 1.00 3.24 N1+ ATOM 0 H LYS A 75 9.958 -5.444 -39.087 1.00 51.20 H new ATOM 0 HA LYS A 75 12.658 -4.836 -38.245 1.00 61.13 H new ATOM 0 HB2 LYS A 75 10.520 -3.472 -37.814 1.00 4.54 H new ATOM 0 HB3 LYS A 75 10.080 -4.703 -36.646 1.00 4.54 H new ATOM 0 HG2 LYS A 75 12.137 -4.249 -35.359 1.00 70.10 H new ATOM 0 HG3 LYS A 75 12.638 -3.062 -36.546 1.00 70.10 H new ATOM 0 HD2 LYS A 75 10.310 -1.942 -36.052 1.00 22.54 H new ATOM 0 HD3 LYS A 75 10.331 -2.921 -34.598 1.00 22.54 H new ATOM 0 HE2 LYS A 75 12.655 -1.124 -35.374 1.00 42.01 H new ATOM 0 HE3 LYS A 75 11.304 -0.543 -34.421 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 13.124 -1.262 -33.015 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 11.771 -2.258 -32.766 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 13.080 -2.820 -33.690 1.00 3.24 H new ATOM 98 N ASN A 76 13.205 -6.604 -36.587 1.00 3.42 N ATOM 99 CA ASN A 76 13.592 -7.731 -35.747 1.00 15.21 C ATOM 100 C ASN A 76 13.866 -7.275 -34.317 1.00 1.14 C ATOM 101 O ASN A 76 13.670 -6.107 -33.979 1.00 24.43 O ATOM 102 CB ASN A 76 14.831 -8.420 -36.321 1.00 52.35 C ATOM 103 CG ASN A 76 14.555 -9.094 -37.652 1.00 1.44 C ATOM 104 OD1 ASN A 76 14.121 -10.245 -37.699 1.00 51.55 O ATOM 105 ND2 ASN A 76 14.804 -8.376 -38.741 1.00 51.31 N ATOM 0 H ASN A 76 13.951 -5.930 -36.759 1.00 3.42 H new ATOM 0 HA ASN A 76 12.765 -8.441 -35.731 1.00 15.21 H new ATOM 0 HB2 ASN A 76 15.626 -7.685 -36.447 1.00 52.35 H new ATOM 0 HB3 ASN A 76 15.193 -9.162 -35.609 1.00 52.35 H new ATOM 0 HD21 ASN A 76 14.636 -8.775 -39.664 1.00 51.31 H new ATOM 0 HD22 ASN A 76 15.163 -7.425 -38.654 1.00 51.31 H new ATOM 112 N SER A 77 14.323 -8.203 -33.483 1.00 4.44 N ATOM 113 CA SER A 77 14.622 -7.897 -32.088 1.00 12.05 C ATOM 114 C SER A 77 16.123 -7.722 -31.881 1.00 25.02 C ATOM 115 O SER A 77 16.931 -8.187 -32.684 1.00 34.10 O ATOM 116 CB SER A 77 14.095 -9.008 -31.177 1.00 2.00 C ATOM 117 OG SER A 77 14.965 -9.219 -30.078 1.00 22.15 O ATOM 0 H SER A 77 14.494 -9.173 -33.748 1.00 4.44 H new ATOM 0 HA SER A 77 14.126 -6.961 -31.831 1.00 12.05 H new ATOM 0 HB2 SER A 77 13.102 -8.745 -30.814 1.00 2.00 H new ATOM 0 HB3 SER A 77 13.992 -9.932 -31.746 1.00 2.00 H new ATOM 0 HG SER A 77 14.607 -9.932 -29.509 1.00 22.15 H new ATOM 123 N ALA A 78 16.489 -7.047 -30.796 1.00 22.23 N ATOM 124 CA ALA A 78 17.893 -6.811 -30.481 1.00 11.51 C ATOM 125 C ALA A 78 18.157 -6.985 -28.989 1.00 34.52 C ATOM 126 O ALA A 78 18.144 -6.016 -28.229 1.00 71.44 O ATOM 127 CB ALA A 78 18.308 -5.418 -30.933 1.00 23.42 C ATOM 0 H ALA A 78 15.833 -6.654 -30.121 1.00 22.23 H new ATOM 0 HA ALA A 78 18.490 -7.548 -31.018 1.00 11.51 H new ATOM 0 HB1 ALA A 78 19.358 -5.255 -30.692 1.00 23.42 H new ATOM 0 HB2 ALA A 78 18.165 -5.327 -32.010 1.00 23.42 H new ATOM 0 HB3 ALA A 78 17.698 -4.673 -30.422 1.00 23.42 H new ATOM 133 N ILE A 79 18.394 -8.226 -28.577 1.00 74.14 N ATOM 134 CA ILE A 79 18.661 -8.527 -27.176 1.00 71.01 C ATOM 135 C ILE A 79 19.812 -9.517 -27.036 1.00 71.13 C ATOM 136 O ILE A 79 19.851 -10.311 -26.096 1.00 10.44 O ATOM 137 CB ILE A 79 17.416 -9.102 -26.476 1.00 31.22 C ATOM 138 CG1 ILE A 79 17.597 -9.070 -24.957 1.00 14.41 C ATOM 139 CG2 ILE A 79 17.149 -10.522 -26.953 1.00 3.00 C ATOM 140 CD1 ILE A 79 16.294 -8.976 -24.195 1.00 1.13 C ATOM 0 H ILE A 79 18.407 -9.039 -29.193 1.00 74.14 H new ATOM 0 HA ILE A 79 18.934 -7.586 -26.698 1.00 71.01 H new ATOM 0 HB ILE A 79 16.555 -8.485 -26.733 1.00 31.22 H new ATOM 0 HG12 ILE A 79 18.128 -9.969 -24.644 1.00 14.41 H new ATOM 0 HG13 ILE A 79 18.226 -8.220 -24.692 1.00 14.41 H new ATOM 0 HG21 ILE A 79 16.266 -10.915 -26.449 1.00 3.00 H new ATOM 0 HG22 ILE A 79 16.981 -10.519 -28.030 1.00 3.00 H new ATOM 0 HG23 ILE A 79 18.009 -11.151 -26.722 1.00 3.00 H new ATOM 0 HD11 ILE A 79 16.499 -8.958 -23.125 1.00 1.13 H new ATOM 0 HD12 ILE A 79 15.771 -8.063 -24.480 1.00 1.13 H new ATOM 0 HD13 ILE A 79 15.672 -9.839 -24.431 1.00 1.13 H new ATOM 152 N SER A 80 20.749 -9.463 -27.977 1.00 54.20 N ATOM 153 CA SER A 80 21.901 -10.357 -27.960 1.00 1.35 C ATOM 154 C SER A 80 22.804 -10.058 -26.767 1.00 11.25 C ATOM 155 O SER A 80 22.831 -10.809 -25.792 1.00 61.02 O ATOM 156 CB SER A 80 22.697 -10.223 -29.261 1.00 45.00 C ATOM 157 OG SER A 80 24.030 -10.671 -29.091 1.00 4.14 O ATOM 0 H SER A 80 20.733 -8.810 -28.760 1.00 54.20 H new ATOM 0 HA SER A 80 21.534 -11.379 -27.869 1.00 1.35 H new ATOM 0 HB2 SER A 80 22.213 -10.801 -30.048 1.00 45.00 H new ATOM 0 HB3 SER A 80 22.698 -9.182 -29.585 1.00 45.00 H new ATOM 0 HG SER A 80 24.517 -10.577 -29.936 1.00 4.14 H new ATOM 163 N SER A 81 23.542 -8.956 -26.852 1.00 72.10 N ATOM 164 CA SER A 81 24.448 -8.558 -25.781 1.00 3.34 C ATOM 165 C SER A 81 24.285 -7.077 -25.453 1.00 74.11 C ATOM 166 O SER A 81 23.357 -6.423 -25.929 1.00 52.22 O ATOM 167 CB SER A 81 25.897 -8.848 -26.177 1.00 32.25 C ATOM 168 OG SER A 81 26.703 -9.075 -25.033 1.00 4.53 O ATOM 0 H SER A 81 23.530 -8.323 -27.652 1.00 72.10 H new ATOM 0 HA SER A 81 24.198 -9.138 -24.893 1.00 3.34 H new ATOM 0 HB2 SER A 81 25.931 -9.721 -26.829 1.00 32.25 H new ATOM 0 HB3 SER A 81 26.297 -8.009 -26.747 1.00 32.25 H new ATOM 0 HG SER A 81 27.624 -9.260 -25.313 1.00 4.53 H new ATOM 174 N SER A 82 25.195 -6.555 -24.636 1.00 64.12 N ATOM 175 CA SER A 82 25.151 -5.152 -24.240 1.00 73.52 C ATOM 176 C SER A 82 25.096 -4.244 -25.465 1.00 10.43 C ATOM 177 O SER A 82 26.079 -4.104 -26.193 1.00 22.43 O ATOM 178 CB SER A 82 26.371 -4.803 -23.387 1.00 44.04 C ATOM 179 OG SER A 82 27.553 -5.360 -23.935 1.00 54.11 O ATOM 0 H SER A 82 25.971 -7.082 -24.236 1.00 64.12 H new ATOM 0 HA SER A 82 24.248 -4.994 -23.651 1.00 73.52 H new ATOM 0 HB2 SER A 82 26.473 -3.720 -23.319 1.00 44.04 H new ATOM 0 HB3 SER A 82 26.227 -5.174 -22.372 1.00 44.04 H new ATOM 0 HG SER A 82 27.577 -5.191 -24.900 1.00 54.11 H new ATOM 185 N ILE A 83 23.938 -3.628 -25.686 1.00 3.54 N ATOM 186 CA ILE A 83 23.755 -2.733 -26.821 1.00 1.04 C ATOM 187 C ILE A 83 24.112 -1.296 -26.451 1.00 52.44 C ATOM 188 O ILE A 83 24.642 -0.547 -27.272 1.00 74.14 O ATOM 189 CB ILE A 83 22.305 -2.772 -27.339 1.00 20.12 C ATOM 190 CG1 ILE A 83 21.930 -4.193 -27.763 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.131 -1.804 -28.500 1.00 13.24 C ATOM 192 CD1 ILE A 83 20.530 -4.308 -28.326 1.00 71.04 C ATOM 0 H ILE A 83 23.114 -3.733 -25.094 1.00 3.54 H new ATOM 0 HA ILE A 83 24.424 -3.080 -27.609 1.00 1.04 H new ATOM 0 HB ILE A 83 21.639 -2.466 -26.533 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.643 -4.540 -28.511 1.00 73.13 H new ATOM 0 HG13 ILE A 83 22.022 -4.856 -26.903 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.101 -1.843 -28.855 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.362 -0.792 -28.168 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.805 -2.083 -29.310 1.00 13.24 H new ATOM 0 HD11 ILE A 83 20.334 -5.343 -28.605 1.00 71.04 H new ATOM 0 HD12 ILE A 83 19.808 -3.992 -27.573 1.00 71.04 H new ATOM 0 HD13 ILE A 83 20.438 -3.671 -29.206 1.00 71.04 H new ATOM 204 N PHE A 84 23.819 -0.920 -25.211 1.00 22.43 N ATOM 205 CA PHE A 84 24.111 0.426 -24.732 1.00 52.22 C ATOM 206 C PHE A 84 25.563 0.802 -25.015 1.00 1.23 C ATOM 207 O PHE A 84 25.848 1.898 -25.499 1.00 0.11 O ATOM 208 CB PHE A 84 23.829 0.529 -23.232 1.00 51.20 C ATOM 209 CG PHE A 84 22.381 0.343 -22.880 1.00 42.14 C ATOM 210 CD1 PHE A 84 21.994 -0.635 -21.977 1.00 24.13 C ATOM 211 CD2 PHE A 84 21.407 1.146 -23.451 1.00 23.11 C ATOM 212 CE1 PHE A 84 20.662 -0.809 -21.653 1.00 43.41 C ATOM 213 CE2 PHE A 84 20.073 0.977 -23.129 1.00 3.54 C ATOM 214 CZ PHE A 84 19.700 -0.001 -22.228 1.00 63.45 C ATOM 0 H PHE A 84 23.380 -1.528 -24.520 1.00 22.43 H new ATOM 0 HA PHE A 84 23.464 1.122 -25.265 1.00 52.22 H new ATOM 0 HB2 PHE A 84 24.421 -0.220 -22.707 1.00 51.20 H new ATOM 0 HB3 PHE A 84 24.159 1.504 -22.875 1.00 51.20 H new ATOM 0 HD1 PHE A 84 22.742 -1.268 -21.522 1.00 24.13 H new ATOM 0 HD2 PHE A 84 21.693 1.913 -24.156 1.00 23.11 H new ATOM 0 HE1 PHE A 84 20.373 -1.577 -20.950 1.00 43.41 H new ATOM 0 HE2 PHE A 84 19.323 1.609 -23.582 1.00 3.54 H new ATOM 0 HZ PHE A 84 18.659 -0.134 -21.974 1.00 63.45 H new ATOM 224 N CYS A 85 26.475 -0.114 -24.709 1.00 41.44 N ATOM 225 CA CYS A 85 27.897 0.121 -24.928 1.00 10.24 C ATOM 226 C CYS A 85 28.252 -0.027 -26.405 1.00 23.33 C ATOM 227 O CYS A 85 29.048 0.741 -26.941 1.00 44.32 O ATOM 228 CB CYS A 85 28.731 -0.850 -24.091 1.00 12.32 C ATOM 229 SG CYS A 85 30.516 -0.587 -24.214 1.00 24.32 S ATOM 0 H CYS A 85 26.255 -1.026 -24.309 1.00 41.44 H new ATOM 0 HA CYS A 85 28.123 1.142 -24.619 1.00 10.24 H new ATOM 0 HB2 CYS A 85 28.433 -0.761 -23.046 1.00 12.32 H new ATOM 0 HB3 CYS A 85 28.503 -1.869 -24.402 1.00 12.32 H new ATOM 0 HG CYS A 85 31.135 -1.455 -23.470 1.00 24.32 H new ATOM 235 N GLU A 86 27.655 -1.023 -27.054 1.00 41.31 N ATOM 236 CA GLU A 86 27.909 -1.273 -28.467 1.00 23.33 C ATOM 237 C GLU A 86 27.586 -0.039 -29.305 1.00 54.43 C ATOM 238 O GLU A 86 28.100 0.127 -30.412 1.00 14.41 O ATOM 239 CB GLU A 86 27.082 -2.464 -28.955 1.00 70.34 C ATOM 240 CG GLU A 86 27.645 -3.126 -30.201 1.00 12.31 C ATOM 241 CD GLU A 86 26.846 -4.344 -30.626 1.00 71.01 C ATOM 242 OE1 GLU A 86 26.740 -4.585 -31.847 1.00 12.02 O ATOM 243 OE2 GLU A 86 26.327 -5.052 -29.740 1.00 72.23 O1- ATOM 0 H GLU A 86 26.993 -1.669 -26.623 1.00 41.31 H new ATOM 0 HA GLU A 86 28.968 -1.503 -28.583 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.020 -3.204 -28.157 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.065 -2.130 -29.159 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.660 -2.403 -31.017 1.00 12.31 H new ATOM 0 HG3 GLU A 86 28.678 -3.420 -30.016 1.00 12.31 H new ATOM 250 N LYS A 87 26.730 0.825 -28.771 1.00 3.45 N ATOM 251 CA LYS A 87 26.336 2.044 -29.467 1.00 44.40 C ATOM 252 C LYS A 87 27.560 2.800 -29.972 1.00 54.55 C ATOM 253 O LYS A 87 27.499 3.491 -30.990 1.00 13.23 O ATOM 254 CB LYS A 87 25.516 2.942 -28.539 1.00 41.11 C ATOM 255 CG LYS A 87 24.059 2.528 -28.422 1.00 30.21 C ATOM 256 CD LYS A 87 23.315 2.728 -29.731 1.00 62.43 C ATOM 257 CE LYS A 87 21.826 2.464 -29.573 1.00 44.42 C ATOM 258 NZ LYS A 87 21.040 3.024 -30.707 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.295 0.703 -27.857 1.00 3.45 H new ATOM 0 HA LYS A 87 25.724 1.763 -30.324 1.00 44.40 H new ATOM 0 HB2 LYS A 87 25.968 2.934 -27.547 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.565 3.968 -28.903 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.000 1.481 -28.126 1.00 30.21 H new ATOM 0 HG3 LYS A 87 23.577 3.109 -27.636 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.469 3.747 -30.086 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.725 2.061 -30.489 1.00 62.43 H new ATOM 0 HE2 LYS A 87 21.653 1.390 -29.506 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.477 2.902 -28.638 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.030 2.823 -30.562 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.185 4.053 -30.755 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.355 2.588 -31.597 1.00 70.52 H new ATOM 272 N TYR A 88 28.671 2.664 -29.257 1.00 73.21 N ATOM 273 CA TYR A 88 29.909 3.336 -29.634 1.00 74.10 C ATOM 274 C TYR A 88 30.226 3.108 -31.109 1.00 50.10 C ATOM 275 O TYR A 88 30.809 3.966 -31.772 1.00 0.51 O ATOM 276 CB TYR A 88 31.069 2.837 -28.770 1.00 0.31 C ATOM 277 CG TYR A 88 31.725 1.583 -29.301 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.040 0.374 -29.326 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.029 1.606 -29.778 1.00 2.51 C ATOM 280 CE1 TYR A 88 31.635 -0.774 -29.811 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.632 0.463 -30.266 1.00 45.43 C ATOM 282 CZ TYR A 88 32.931 -0.725 -30.280 1.00 51.51 C ATOM 283 OH TYR A 88 33.529 -1.866 -30.764 1.00 33.11 O ATOM 0 H TYR A 88 28.740 2.095 -28.413 1.00 73.21 H new ATOM 0 HA TYR A 88 29.775 4.405 -29.470 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.819 3.624 -28.694 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.703 2.646 -27.761 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.025 0.332 -28.960 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.581 2.534 -29.767 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.088 -1.705 -29.823 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.647 0.499 -30.634 1.00 45.43 H new ATOM 0 HH TYR A 88 34.441 -1.659 -31.056 1.00 33.11 H new ATOM 293 N LYS A 89 29.837 1.944 -31.617 1.00 34.53 N ATOM 294 CA LYS A 89 30.076 1.601 -33.015 1.00 32.43 C ATOM 295 C LYS A 89 29.210 2.450 -33.940 1.00 22.43 C ATOM 296 O LYS A 89 29.724 3.203 -34.767 1.00 3.10 O ATOM 297 CB LYS A 89 29.790 0.116 -33.252 1.00 53.34 C ATOM 298 CG LYS A 89 30.121 -0.349 -34.660 1.00 63.43 C ATOM 299 CD LYS A 89 29.188 -1.460 -35.114 1.00 14.45 C ATOM 300 CE LYS A 89 28.964 -1.419 -36.618 1.00 72.22 C ATOM 301 NZ LYS A 89 28.377 -2.690 -37.125 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.355 1.222 -31.082 1.00 34.53 H new ATOM 0 HA LYS A 89 31.123 1.804 -33.239 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.365 -0.475 -32.539 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.736 -0.079 -33.052 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.048 0.493 -35.349 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.152 -0.701 -34.695 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.607 -2.426 -34.834 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.231 -1.366 -34.600 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.302 -0.589 -36.864 1.00 72.22 H new ATOM 0 HE3 LYS A 89 29.912 -1.230 -37.122 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 28.239 -2.623 -38.154 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 29.021 -3.479 -36.913 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 27.460 -2.857 -36.663 1.00 43.33 H new ATOM 315 N GLN A 90 27.895 2.325 -33.793 1.00 2.13 N ATOM 316 CA GLN A 90 26.960 3.082 -34.615 1.00 14.13 C ATOM 317 C GLN A 90 27.224 4.580 -34.500 1.00 2.13 C ATOM 318 O GLN A 90 27.080 5.323 -35.472 1.00 41.43 O ATOM 319 CB GLN A 90 25.519 2.774 -34.201 1.00 44.13 C ATOM 320 CG GLN A 90 24.506 2.997 -35.313 1.00 72.41 C ATOM 321 CD GLN A 90 24.470 1.852 -36.306 1.00 65.22 C ATOM 322 OE1 GLN A 90 23.900 0.795 -36.033 1.00 14.22 O ATOM 323 NE2 GLN A 90 25.079 2.056 -37.468 1.00 61.02 N ATOM 0 H GLN A 90 27.454 1.707 -33.112 1.00 2.13 H new ATOM 0 HA GLN A 90 27.105 2.784 -35.653 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.459 1.738 -33.868 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.253 3.399 -33.348 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.515 3.126 -34.877 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.746 3.921 -35.838 1.00 72.41 H new ATOM 0 HE21 GLN A 90 25.539 2.947 -37.653 1.00 61.02 H new ATOM 0 HE22 GLN A 90 25.087 1.321 -38.176 1.00 61.02 H new ATOM 332 N THR A 91 27.611 5.019 -33.307 1.00 22.11 N ATOM 333 CA THR A 91 27.894 6.428 -33.065 1.00 23.40 C ATOM 334 C THR A 91 29.106 6.890 -33.866 1.00 53.31 C ATOM 335 O THR A 91 29.015 7.821 -34.668 1.00 13.14 O ATOM 336 CB THR A 91 28.147 6.702 -31.570 1.00 43.34 C ATOM 337 OG1 THR A 91 29.259 5.925 -31.111 1.00 21.23 O ATOM 338 CG2 THR A 91 26.914 6.370 -30.744 1.00 21.32 C ATOM 0 H THR A 91 27.736 4.418 -32.492 1.00 22.11 H new ATOM 0 HA THR A 91 27.015 6.987 -33.385 1.00 23.40 H new ATOM 0 HB THR A 91 28.371 7.762 -31.450 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.606 6.310 -30.279 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.116 6.571 -29.692 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.077 6.984 -31.077 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.664 5.317 -30.870 1.00 21.32 H new ATOM 346 N LYS A 92 30.240 6.236 -33.646 1.00 31.12 N ATOM 347 CA LYS A 92 31.471 6.578 -34.349 1.00 63.03 C ATOM 348 C LYS A 92 31.245 6.614 -35.856 1.00 75.23 C ATOM 349 O LYS A 92 31.658 7.556 -36.532 1.00 51.33 O ATOM 350 CB LYS A 92 32.572 5.570 -34.012 1.00 4.45 C ATOM 351 CG LYS A 92 33.934 6.207 -33.792 1.00 1.42 C ATOM 352 CD LYS A 92 33.987 6.971 -32.480 1.00 63.25 C ATOM 353 CE LYS A 92 35.323 6.778 -31.778 1.00 65.32 C ATOM 354 NZ LYS A 92 35.383 7.522 -30.489 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.333 5.465 -32.985 1.00 31.12 H new ATOM 0 HA LYS A 92 31.782 7.570 -34.022 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.288 5.021 -33.114 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.647 4.843 -34.820 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.703 5.434 -33.795 1.00 1.42 H new ATOM 0 HG3 LYS A 92 34.158 6.883 -34.617 1.00 1.42 H new ATOM 0 HD2 LYS A 92 33.823 8.032 -32.668 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.180 6.635 -31.829 1.00 63.25 H new ATOM 0 HE2 LYS A 92 35.486 5.716 -31.593 1.00 65.32 H new ATOM 0 HE3 LYS A 92 36.128 7.115 -32.430 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 36.308 7.366 -30.041 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 35.252 8.538 -30.668 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 34.630 7.182 -29.857 1.00 44.20 H new ATOM 368 N GLU A 93 30.585 5.584 -36.376 1.00 42.21 N ATOM 369 CA GLU A 93 30.303 5.501 -37.805 1.00 71.42 C ATOM 370 C GLU A 93 29.441 6.674 -38.259 1.00 60.11 C ATOM 371 O GLU A 93 29.708 7.291 -39.290 1.00 73.42 O ATOM 372 CB GLU A 93 29.602 4.180 -38.133 1.00 74.41 C ATOM 373 CG GLU A 93 29.564 3.864 -39.618 1.00 73.24 C ATOM 374 CD GLU A 93 28.388 2.984 -39.997 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.439 3.502 -40.623 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.416 1.781 -39.668 1.00 60.10 O1- ATOM 0 H GLU A 93 30.236 4.796 -35.830 1.00 42.21 H new ATOM 0 HA GLU A 93 31.252 5.543 -38.340 1.00 71.42 H new ATOM 0 HB2 GLU A 93 30.110 3.369 -37.610 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.582 4.215 -37.751 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.513 4.795 -40.183 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.491 3.368 -39.904 1.00 73.24 H new ATOM 383 N GLN A 94 28.404 6.974 -37.482 1.00 40.54 N ATOM 384 CA GLN A 94 27.501 8.073 -37.806 1.00 30.21 C ATOM 385 C GLN A 94 28.245 9.404 -37.816 1.00 52.42 C ATOM 386 O GLN A 94 27.933 10.295 -38.607 1.00 15.43 O ATOM 387 CB GLN A 94 26.350 8.127 -36.799 1.00 23.31 C ATOM 388 CG GLN A 94 25.143 7.299 -37.211 1.00 1.33 C ATOM 389 CD GLN A 94 23.960 7.492 -36.285 1.00 51.31 C ATOM 390 OE1 GLN A 94 22.982 8.153 -36.635 1.00 50.12 O ATOM 391 NE2 GLN A 94 24.041 6.913 -35.092 1.00 14.24 N ATOM 0 H GLN A 94 28.169 6.472 -36.626 1.00 40.54 H new ATOM 0 HA GLN A 94 27.096 7.896 -38.803 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.708 7.776 -35.831 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.041 9.164 -36.668 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.852 7.568 -38.227 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.419 6.245 -37.227 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.870 6.374 -34.842 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.274 7.008 -34.426 1.00 14.24 H new ATOM 400 N ALA A 95 29.230 9.533 -36.933 1.00 25.00 N ATOM 401 CA ALA A 95 30.019 10.756 -36.842 1.00 45.15 C ATOM 402 C ALA A 95 30.890 10.939 -38.079 1.00 70.10 C ATOM 403 O ALA A 95 30.757 11.926 -38.804 1.00 11.14 O ATOM 404 CB ALA A 95 30.879 10.736 -35.587 1.00 72.43 C ATOM 0 H ALA A 95 29.501 8.806 -36.271 1.00 25.00 H new ATOM 0 HA ALA A 95 29.332 11.600 -36.785 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.463 11.655 -35.531 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.239 10.659 -34.708 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.552 9.880 -35.621 1.00 72.43 H new ATOM 410 N LEU A 96 31.783 9.984 -38.316 1.00 21.34 N ATOM 411 CA LEU A 96 32.678 10.041 -39.467 1.00 71.41 C ATOM 412 C LEU A 96 31.890 10.201 -40.763 1.00 65.14 C ATOM 413 O LEU A 96 32.311 10.912 -41.675 1.00 60.24 O ATOM 414 CB LEU A 96 33.538 8.778 -39.532 1.00 41.41 C ATOM 415 CG LEU A 96 32.789 7.450 -39.412 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.354 6.957 -40.784 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.657 6.409 -38.720 1.00 62.41 C ATOM 0 H LEU A 96 31.907 9.161 -37.726 1.00 21.34 H new ATOM 0 HA LEU A 96 33.326 10.909 -39.349 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.082 8.781 -40.476 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.281 8.827 -38.736 1.00 41.41 H new ATOM 0 HG LEU A 96 31.897 7.611 -38.807 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.823 6.011 -40.679 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.695 7.694 -41.244 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.232 6.812 -41.414 1.00 0.51 H new ATOM 0 HD21 LEU A 96 33.108 5.470 -38.643 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.567 6.251 -39.299 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.919 6.759 -37.721 1.00 62.41 H new ATOM 429 N THR A 97 30.740 9.536 -40.836 1.00 53.12 N ATOM 430 CA THR A 97 29.891 9.605 -42.018 1.00 4.23 C ATOM 431 C THR A 97 29.361 11.018 -42.233 1.00 42.31 C ATOM 432 O THR A 97 29.417 11.551 -43.341 1.00 43.35 O ATOM 433 CB THR A 97 28.703 8.632 -41.914 1.00 75.23 C ATOM 434 OG1 THR A 97 28.084 8.752 -40.628 1.00 52.14 O ATOM 435 CG2 THR A 97 29.156 7.196 -42.133 1.00 3.45 C ATOM 0 H THR A 97 30.376 8.944 -40.090 1.00 53.12 H new ATOM 0 HA THR A 97 30.510 9.320 -42.869 1.00 4.23 H new ATOM 0 HB THR A 97 27.982 8.890 -42.690 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.575 8.209 -39.977 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.298 6.528 -42.054 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.600 7.102 -43.124 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.895 6.928 -41.378 1.00 3.45 H new ATOM 443 N PHE A 98 28.846 11.619 -41.167 1.00 64.32 N ATOM 444 CA PHE A 98 28.304 12.972 -41.238 1.00 20.12 C ATOM 445 C PHE A 98 29.423 13.997 -41.394 1.00 70.44 C ATOM 446 O PHE A 98 29.208 15.091 -41.919 1.00 24.53 O ATOM 447 CB PHE A 98 27.483 13.282 -39.985 1.00 4.32 C ATOM 448 CG PHE A 98 28.017 14.438 -39.190 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.667 15.739 -39.513 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.869 14.225 -38.118 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.157 16.806 -38.783 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.361 15.287 -37.384 1.00 2.32 C ATOM 453 CZ PHE A 98 29.006 16.580 -37.717 1.00 14.52 C ATOM 0 H PHE A 98 28.792 11.191 -40.243 1.00 64.32 H new ATOM 0 HA PHE A 98 27.655 13.032 -42.112 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.455 13.497 -40.278 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.455 12.396 -39.350 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.003 15.922 -40.345 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.152 13.217 -37.853 1.00 24.22 H new ATOM 0 HE1 PHE A 98 27.876 17.815 -39.046 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.023 15.106 -36.550 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.391 17.412 -37.146 1.00 14.52 H new ATOM 463 N PHE A 99 30.616 13.638 -40.933 1.00 61.53 N ATOM 464 CA PHE A 99 31.769 14.528 -41.019 1.00 61.41 C ATOM 465 C PHE A 99 32.403 14.462 -42.405 1.00 60.30 C ATOM 466 O PHE A 99 32.885 15.467 -42.927 1.00 64.11 O ATOM 467 CB PHE A 99 32.803 14.160 -39.953 1.00 43.00 C ATOM 468 CG PHE A 99 34.072 14.957 -40.051 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.204 14.414 -40.638 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.134 16.250 -39.556 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.374 15.145 -40.729 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.301 16.986 -39.645 1.00 44.24 C ATOM 473 CZ PHE A 99 36.421 16.433 -40.232 1.00 54.34 C ATOM 0 H PHE A 99 30.810 12.737 -40.496 1.00 61.53 H new ATOM 0 HA PHE A 99 31.425 15.548 -40.845 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.365 14.309 -38.966 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.041 13.100 -40.039 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.172 13.408 -41.029 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.261 16.688 -39.095 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.250 14.710 -41.188 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.336 17.993 -39.256 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.333 17.007 -40.303 1.00 54.34 H new ATOM 483 N GLN A 100 32.401 13.270 -42.995 1.00 31.14 N ATOM 484 CA GLN A 100 32.977 13.073 -44.319 1.00 2.22 C ATOM 485 C GLN A 100 31.977 13.444 -45.410 1.00 64.05 C ATOM 486 O GLN A 100 32.351 13.991 -46.446 1.00 14.00 O ATOM 487 CB GLN A 100 33.424 11.621 -44.493 1.00 53.03 C ATOM 488 CG GLN A 100 32.269 10.638 -44.602 1.00 64.35 C ATOM 489 CD GLN A 100 32.711 9.197 -44.437 1.00 33.11 C ATOM 490 OE1 GLN A 100 32.414 8.344 -45.275 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.427 8.917 -43.354 1.00 14.41 N ATOM 0 H GLN A 100 32.007 12.427 -42.577 1.00 31.14 H new ATOM 0 HA GLN A 100 33.845 13.726 -44.410 1.00 2.22 H new ATOM 0 HB2 GLN A 100 34.041 11.544 -45.388 1.00 53.03 H new ATOM 0 HB3 GLN A 100 34.052 11.339 -43.648 1.00 53.03 H new ATOM 0 HG2 GLN A 100 31.523 10.874 -43.843 1.00 64.35 H new ATOM 0 HG3 GLN A 100 31.786 10.757 -45.572 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.650 9.654 -42.686 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.754 7.965 -43.191 1.00 14.41 H new ATOM 500 N GLU A 101 30.706 13.141 -45.168 1.00 35.51 N ATOM 501 CA GLU A 101 29.653 13.441 -46.130 1.00 4.42 C ATOM 502 C GLU A 101 29.346 14.936 -46.151 1.00 73.11 C ATOM 503 O GLU A 101 29.116 15.519 -47.211 1.00 13.41 O ATOM 504 CB GLU A 101 28.384 12.653 -45.794 1.00 74.32 C ATOM 505 CG GLU A 101 27.317 12.731 -46.873 1.00 62.12 C ATOM 506 CD GLU A 101 27.654 11.888 -48.088 1.00 61.35 C ATOM 507 OE1 GLU A 101 27.666 12.440 -49.208 1.00 22.34 O ATOM 508 OE2 GLU A 101 27.906 10.676 -47.919 1.00 61.22 O1- ATOM 0 H GLU A 101 30.381 12.688 -44.314 1.00 35.51 H new ATOM 0 HA GLU A 101 30.004 13.145 -47.119 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.648 11.608 -45.630 1.00 74.32 H new ATOM 0 HB3 GLU A 101 27.970 13.028 -44.858 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.363 12.402 -46.460 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.191 13.769 -47.179 1.00 62.12 H new ATOM 515 N HIS A 102 29.343 15.551 -44.972 1.00 15.43 N ATOM 516 CA HIS A 102 29.065 16.977 -44.855 1.00 21.40 C ATOM 517 C HIS A 102 30.093 17.660 -43.958 1.00 72.54 C ATOM 518 O HIS A 102 29.783 18.128 -42.862 1.00 40.35 O ATOM 519 CB HIS A 102 27.658 17.199 -44.298 1.00 2.24 C ATOM 520 CG HIS A 102 26.585 17.145 -45.341 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.594 17.934 -46.472 1.00 73.30 N ATOM 522 CD2 HIS A 102 25.465 16.389 -45.422 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.526 17.666 -47.203 1.00 44.23 C ATOM 524 NE2 HIS A 102 24.825 16.732 -46.587 1.00 62.12 N ATOM 0 H HIS A 102 29.530 15.084 -44.085 1.00 15.43 H new ATOM 0 HA HIS A 102 29.128 17.417 -45.850 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.454 16.444 -43.539 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.622 18.169 -43.801 1.00 2.24 H new ATOM 0 HD2 HIS A 102 25.136 15.653 -44.704 1.00 34.24 H new ATOM 0 HE1 HIS A 102 25.270 18.131 -48.143 1.00 44.23 H new ATOM 0 HE2 HIS A 102 23.950 16.330 -46.922 1.00 62.12 H new ATOM 533 N PRO A 103 31.346 17.717 -44.432 1.00 40.25 N ATOM 534 CA PRO A 103 32.446 18.340 -43.689 1.00 34.11 C ATOM 535 C PRO A 103 32.304 19.855 -43.606 1.00 22.13 C ATOM 536 O PRO A 103 32.968 20.591 -44.335 1.00 74.22 O ATOM 537 CB PRO A 103 33.684 17.963 -44.506 1.00 54.42 C ATOM 538 CG PRO A 103 33.173 17.739 -45.887 1.00 30.51 C ATOM 539 CD PRO A 103 31.787 17.179 -45.730 1.00 20.03 C ATOM 0 HA PRO A 103 32.482 18.001 -42.654 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.430 18.758 -44.484 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.161 17.067 -44.110 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.156 18.671 -46.453 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.814 17.047 -46.433 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.131 17.497 -46.540 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.791 16.089 -45.733 1.00 20.03 H new ATOM 547 N GLN A 104 31.434 20.315 -42.712 1.00 53.52 N ATOM 548 CA GLN A 104 31.206 21.745 -42.534 1.00 32.12 C ATOM 549 C GLN A 104 32.502 22.462 -42.175 1.00 3.31 C ATOM 550 O GLN A 104 32.723 23.605 -42.576 1.00 4.35 O ATOM 551 CB GLN A 104 30.158 21.984 -41.445 1.00 52.22 C ATOM 552 CG GLN A 104 29.339 23.247 -41.657 1.00 72.42 C ATOM 553 CD GLN A 104 28.297 23.454 -40.575 1.00 53.42 C ATOM 554 OE1 GLN A 104 28.705 23.298 -39.322 1.00 50.22 O flip ATOM 555 NE2 GLN A 104 27.137 23.751 -40.863 1.00 43.34 N flip ATOM 0 H GLN A 104 30.876 19.719 -42.100 1.00 53.52 H new ATOM 0 HA GLN A 104 30.838 22.149 -43.477 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.486 21.127 -41.405 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.658 22.043 -40.478 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.006 24.108 -41.683 1.00 72.42 H new ATOM 0 HG3 GLN A 104 28.845 23.197 -42.627 1.00 72.42 H new ATOM 0 HE21 GLN A 104 26.866 23.861 -41.840 1.00 43.34 H new ATOM 0 HE22 GLN A 104 26.447 23.887 -40.124 1.00 43.34 H new ATOM 564 N TYR A 105 33.357 21.785 -41.416 1.00 14.32 N ATOM 565 CA TYR A 105 34.630 22.360 -41.000 1.00 65.43 C ATOM 566 C TYR A 105 35.487 22.720 -42.210 1.00 72.42 C ATOM 567 O TYR A 105 36.241 23.692 -42.183 1.00 15.51 O ATOM 568 CB TYR A 105 35.387 21.380 -40.100 1.00 13.44 C ATOM 569 CG TYR A 105 36.802 21.813 -39.788 1.00 21.04 C ATOM 570 CD1 TYR A 105 37.890 21.127 -40.315 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.050 22.906 -38.969 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.184 21.519 -40.031 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.341 23.306 -38.682 1.00 62.22 C ATOM 574 CZ TYR A 105 39.405 22.608 -39.215 1.00 63.32 C ATOM 575 OH TYR A 105 40.692 23.001 -38.932 1.00 2.35 O ATOM 0 H TYR A 105 33.191 20.838 -41.077 1.00 14.32 H new ATOM 0 HA TYR A 105 34.421 23.272 -40.440 1.00 65.43 H new ATOM 0 HB2 TYR A 105 34.838 21.260 -39.166 1.00 13.44 H new ATOM 0 HB3 TYR A 105 35.413 20.403 -40.582 1.00 13.44 H new ATOM 0 HD1 TYR A 105 37.721 20.275 -40.956 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.219 23.453 -38.549 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.019 20.975 -40.447 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.516 24.160 -38.044 1.00 62.22 H new ATOM 0 HH TYR A 105 40.673 23.785 -38.344 1.00 2.35 H new ATOM 585 N MET A 106 35.362 21.930 -43.271 1.00 2.13 N ATOM 586 CA MET A 106 36.123 22.166 -44.493 1.00 12.33 C ATOM 587 C MET A 106 35.559 23.357 -45.262 1.00 34.43 C ATOM 588 O MET A 106 36.262 23.987 -46.052 1.00 14.31 O ATOM 589 CB MET A 106 36.109 20.918 -45.378 1.00 2.20 C ATOM 590 CG MET A 106 37.300 20.825 -46.317 1.00 33.23 C ATOM 591 SD MET A 106 36.976 21.565 -47.927 1.00 45.54 S ATOM 592 CE MET A 106 37.745 20.366 -49.013 1.00 62.30 C ATOM 0 H MET A 106 34.742 21.121 -43.310 1.00 2.13 H new ATOM 0 HA MET A 106 37.152 22.391 -44.213 1.00 12.33 H new ATOM 0 HB2 MET A 106 36.088 20.033 -44.743 1.00 2.20 H new ATOM 0 HB3 MET A 106 35.191 20.910 -45.966 1.00 2.20 H new ATOM 0 HG2 MET A 106 38.157 21.320 -45.860 1.00 33.23 H new ATOM 0 HG3 MET A 106 37.571 19.778 -46.451 1.00 33.23 H new ATOM 0 HE1 MET A 106 37.628 20.685 -50.049 1.00 62.30 H new ATOM 0 HE2 MET A 106 38.806 20.288 -48.775 1.00 62.30 H new ATOM 0 HE3 MET A 106 37.270 19.394 -48.877 1.00 62.30 H new ATOM 602 N ARG A 107 34.286 23.658 -45.029 1.00 64.32 N ATOM 603 CA ARG A 107 33.628 24.772 -45.701 1.00 35.05 C ATOM 604 C ARG A 107 33.790 26.062 -44.903 1.00 22.20 C ATOM 605 O ARG A 107 33.963 27.139 -45.474 1.00 15.10 O ATOM 606 CB ARG A 107 32.143 24.467 -45.903 1.00 40.51 C ATOM 607 CG ARG A 107 31.476 25.347 -46.947 1.00 44.25 C ATOM 608 CD ARG A 107 30.175 24.736 -47.443 1.00 14.22 C ATOM 609 NE ARG A 107 29.204 25.757 -47.830 1.00 62.33 N ATOM 610 CZ ARG A 107 27.934 25.492 -48.114 1.00 43.41 C ATOM 611 NH1 ARG A 107 27.484 24.245 -48.056 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 27.112 26.474 -48.459 1.00 71.14 N ATOM 0 H ARG A 107 33.689 23.146 -44.380 1.00 64.32 H new ATOM 0 HA ARG A 107 34.100 24.907 -46.674 1.00 35.05 H new ATOM 0 HB2 ARG A 107 32.032 23.423 -46.196 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.623 24.588 -44.952 1.00 40.51 H new ATOM 0 HG2 ARG A 107 31.278 26.331 -46.522 1.00 44.25 H new ATOM 0 HG3 ARG A 107 32.154 25.493 -47.788 1.00 44.25 H new ATOM 0 HD2 ARG A 107 30.380 24.089 -48.296 1.00 14.22 H new ATOM 0 HD3 ARG A 107 29.748 24.107 -46.661 1.00 14.22 H new ATOM 0 HE ARG A 107 29.519 26.726 -47.885 1.00 62.33 H new ATOM 0 HH11 ARG A 107 28.114 23.487 -47.793 1.00 11.24 H new ATOM 0 HH12 ARG A 107 26.508 24.044 -48.275 1.00 11.24 H new ATOM 0 HH21 ARG A 107 27.455 27.433 -48.506 1.00 71.14 H new ATOM 0 HH22 ARG A 107 26.137 26.270 -48.677 1.00 71.14 H new ATOM 626 N SER A 108 33.733 25.944 -43.580 1.00 32.45 N ATOM 627 CA SER A 108 33.870 27.101 -42.703 1.00 62.54 C ATOM 628 C SER A 108 34.348 26.680 -41.318 1.00 72.04 C ATOM 629 O SER A 108 33.592 26.103 -40.535 1.00 3.11 O ATOM 630 CB SER A 108 32.536 27.843 -42.591 1.00 72.53 C ATOM 631 OG SER A 108 32.731 29.247 -42.594 1.00 0.01 O ATOM 0 H SER A 108 33.593 25.059 -43.092 1.00 32.45 H new ATOM 0 HA SER A 108 34.614 27.769 -43.137 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.889 27.561 -43.421 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.027 27.545 -41.674 1.00 72.53 H new ATOM 0 HG SER A 108 31.864 29.698 -42.523 1.00 0.01 H new ATOM 637 N LYS A 109 35.610 26.972 -41.019 1.00 71.21 N ATOM 638 CA LYS A 109 36.191 26.624 -39.728 1.00 31.02 C ATOM 639 C LYS A 109 35.311 27.119 -38.585 1.00 3.25 C ATOM 640 O LYS A 109 35.213 26.473 -37.542 1.00 50.22 O ATOM 641 CB LYS A 109 37.594 27.222 -39.601 1.00 21.34 C ATOM 642 CG LYS A 109 37.604 28.738 -39.512 1.00 52.33 C ATOM 643 CD LYS A 109 37.644 29.212 -38.069 1.00 1.02 C ATOM 644 CE LYS A 109 38.338 30.559 -37.943 1.00 51.12 C ATOM 645 NZ LYS A 109 37.846 31.330 -36.768 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.250 27.449 -41.654 1.00 71.21 H new ATOM 0 HA LYS A 109 36.258 25.538 -39.668 1.00 31.02 H new ATOM 0 HB2 LYS A 109 38.076 26.811 -38.714 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.190 26.913 -40.459 1.00 21.34 H new ATOM 0 HG2 LYS A 109 38.469 29.129 -40.048 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.717 29.138 -40.003 1.00 52.33 H new ATOM 0 HD2 LYS A 109 36.628 29.288 -37.682 1.00 1.02 H new ATOM 0 HD3 LYS A 109 38.164 28.475 -37.457 1.00 1.02 H new ATOM 0 HE2 LYS A 109 39.413 30.406 -37.852 1.00 51.12 H new ATOM 0 HE3 LYS A 109 38.174 31.138 -38.852 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 38.186 32.311 -36.829 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 36.806 31.324 -36.760 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 38.202 30.894 -35.893 1.00 73.22 H new ATOM 659 N GLU A 110 34.672 28.267 -38.789 1.00 44.12 N ATOM 660 CA GLU A 110 33.801 28.846 -37.774 1.00 65.03 C ATOM 661 C GLU A 110 32.545 27.998 -37.588 1.00 4.22 C ATOM 662 O GLU A 110 32.117 27.744 -36.462 1.00 42.42 O ATOM 663 CB GLU A 110 33.411 30.275 -38.159 1.00 51.22 C ATOM 664 CG GLU A 110 32.753 30.379 -39.525 1.00 52.11 C ATOM 665 CD GLU A 110 33.066 31.688 -40.225 1.00 73.11 C ATOM 666 OE1 GLU A 110 32.774 31.797 -41.434 1.00 50.24 O ATOM 667 OE2 GLU A 110 33.605 32.600 -39.565 1.00 64.00 O1- ATOM 0 H GLU A 110 34.741 28.814 -39.647 1.00 44.12 H new ATOM 0 HA GLU A 110 34.348 28.868 -36.832 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.730 30.672 -37.406 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.302 30.902 -38.146 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.086 29.549 -40.149 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.673 30.280 -39.413 1.00 52.11 H new ATOM 674 N ASP A 111 31.961 27.564 -38.698 1.00 31.12 N ATOM 675 CA ASP A 111 30.755 26.745 -38.659 1.00 2.31 C ATOM 676 C ASP A 111 30.940 25.552 -37.726 1.00 54.23 C ATOM 677 O ASP A 111 30.080 25.263 -36.896 1.00 72.33 O ATOM 678 CB ASP A 111 30.397 26.259 -40.064 1.00 61.15 C ATOM 679 CG ASP A 111 29.689 27.322 -40.881 1.00 72.04 C ATOM 680 OD1 ASP A 111 29.195 26.994 -41.981 1.00 62.34 O ATOM 681 OD2 ASP A 111 29.626 28.480 -40.420 1.00 75.41 O1- ATOM 0 H ASP A 111 32.303 27.766 -39.638 1.00 31.12 H new ATOM 0 HA ASP A 111 29.940 27.359 -38.278 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.306 25.952 -40.582 1.00 61.15 H new ATOM 0 HB3 ASP A 111 29.760 25.378 -39.989 1.00 61.15 H new ATOM 686 N GLU A 112 32.067 24.863 -37.872 1.00 32.13 N ATOM 687 CA GLU A 112 32.362 23.699 -37.043 1.00 62.34 C ATOM 688 C GLU A 112 32.433 24.086 -35.569 1.00 34.15 C ATOM 689 O GLU A 112 32.034 23.316 -34.694 1.00 35.11 O ATOM 690 CB GLU A 112 33.682 23.058 -37.477 1.00 32.10 C ATOM 691 CG GLU A 112 34.003 21.768 -36.740 1.00 0.21 C ATOM 692 CD GLU A 112 35.494 21.531 -36.601 1.00 23.14 C ATOM 693 OE1 GLU A 112 36.192 22.436 -36.098 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.962 20.443 -36.994 1.00 14.24 O1- ATOM 0 H GLU A 112 32.790 25.090 -38.555 1.00 32.13 H new ATOM 0 HA GLU A 112 31.555 22.977 -37.174 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.643 22.855 -38.547 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.492 23.770 -37.317 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.550 21.798 -35.749 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.554 20.929 -37.271 1.00 0.21 H new ATOM 701 N GLU A 113 32.945 25.284 -35.301 1.00 34.35 N ATOM 702 CA GLU A 113 33.069 25.771 -33.931 1.00 1.04 C ATOM 703 C GLU A 113 31.697 25.953 -33.291 1.00 62.52 C ATOM 704 O GLU A 113 31.388 25.333 -32.274 1.00 62.44 O ATOM 705 CB GLU A 113 33.836 27.096 -33.907 1.00 30.23 C ATOM 706 CG GLU A 113 34.501 27.388 -32.573 1.00 33.05 C ATOM 707 CD GLU A 113 35.111 28.775 -32.516 1.00 2.32 C ATOM 708 OE1 GLU A 113 34.478 29.723 -33.026 1.00 5.24 O ATOM 709 OE2 GLU A 113 36.222 28.913 -31.963 1.00 53.21 O1- ATOM 0 H GLU A 113 33.280 25.934 -36.012 1.00 34.35 H new ATOM 0 HA GLU A 113 33.621 25.028 -33.356 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.597 27.080 -34.687 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.150 27.908 -34.147 1.00 30.23 H new ATOM 0 HG2 GLU A 113 33.766 27.285 -31.775 1.00 33.05 H new ATOM 0 HG3 GLU A 113 35.278 26.646 -32.388 1.00 33.05 H new ATOM 716 N GLN A 114 30.877 26.808 -33.896 1.00 21.15 N ATOM 717 CA GLN A 114 29.537 27.073 -33.383 1.00 15.15 C ATOM 718 C GLN A 114 28.752 25.776 -33.219 1.00 12.24 C ATOM 719 O GLN A 114 28.048 25.587 -32.226 1.00 54.31 O ATOM 720 CB GLN A 114 28.789 28.021 -34.322 1.00 72.44 C ATOM 721 CG GLN A 114 28.832 27.593 -35.780 1.00 22.33 C ATOM 722 CD GLN A 114 28.067 28.537 -36.688 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.218 28.111 -37.471 1.00 32.25 O ATOM 724 NE2 GLN A 114 28.366 29.826 -36.586 1.00 40.41 N ATOM 0 H GLN A 114 31.117 27.328 -34.740 1.00 21.15 H new ATOM 0 HA GLN A 114 29.634 27.543 -32.405 1.00 15.15 H new ATOM 0 HB2 GLN A 114 27.749 28.089 -34.003 1.00 72.44 H new ATOM 0 HB3 GLN A 114 29.216 29.020 -34.232 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.870 27.540 -36.109 1.00 22.33 H new ATOM 0 HG3 GLN A 114 28.417 26.589 -35.873 1.00 22.33 H new ATOM 0 HE21 GLN A 114 29.077 30.134 -35.923 1.00 40.41 H new ATOM 0 HE22 GLN A 114 27.885 30.509 -37.171 1.00 40.41 H new ATOM 733 N LEU A 115 28.877 24.885 -34.197 1.00 24.11 N ATOM 734 CA LEU A 115 28.179 23.606 -34.160 1.00 72.35 C ATOM 735 C LEU A 115 28.682 22.744 -33.007 1.00 40.11 C ATOM 736 O LEU A 115 27.906 22.040 -32.361 1.00 41.13 O ATOM 737 CB LEU A 115 28.362 22.863 -35.485 1.00 4.21 C ATOM 738 CG LEU A 115 27.170 22.034 -35.961 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.493 21.337 -37.273 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.769 21.019 -34.900 1.00 4.03 C ATOM 0 H LEU A 115 29.456 25.026 -35.025 1.00 24.11 H new ATOM 0 HA LEU A 115 27.118 23.804 -34.005 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.602 23.593 -36.258 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.224 22.202 -35.392 1.00 4.21 H new ATOM 0 HG LEU A 115 26.329 22.706 -36.129 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.632 20.752 -37.596 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.730 22.082 -38.032 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.349 20.677 -37.133 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.919 20.437 -35.256 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.607 20.351 -34.700 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.494 21.540 -33.983 1.00 4.03 H new ATOM 752 N MET A 116 29.985 22.805 -32.754 1.00 70.42 N ATOM 753 CA MET A 116 30.592 22.032 -31.676 1.00 64.52 C ATOM 754 C MET A 116 30.067 22.488 -30.318 1.00 75.03 C ATOM 755 O MET A 116 29.497 21.699 -29.564 1.00 41.14 O ATOM 756 CB MET A 116 32.116 22.165 -31.719 1.00 43.44 C ATOM 757 CG MET A 116 32.830 21.299 -30.694 1.00 45.44 C ATOM 758 SD MET A 116 33.244 22.203 -29.189 1.00 64.42 S ATOM 759 CE MET A 116 34.890 22.786 -29.588 1.00 64.32 C ATOM 0 H MET A 116 30.641 23.382 -33.281 1.00 70.42 H new ATOM 0 HA MET A 116 30.323 20.985 -31.817 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.468 21.899 -32.716 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.386 23.208 -31.553 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.198 20.448 -30.440 1.00 45.44 H new ATOM 0 HG3 MET A 116 33.743 20.898 -31.135 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.284 23.365 -28.752 1.00 64.32 H new ATOM 0 HE2 MET A 116 35.542 21.933 -29.778 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.848 23.415 -30.477 1.00 64.32 H new ATOM 769 N THR A 117 30.263 23.767 -30.012 1.00 23.24 N ATOM 770 CA THR A 117 29.811 24.328 -28.745 1.00 45.12 C ATOM 771 C THR A 117 28.329 24.051 -28.518 1.00 55.01 C ATOM 772 O THR A 117 27.926 23.639 -27.432 1.00 75.24 O ATOM 773 CB THR A 117 30.053 25.848 -28.685 1.00 45.34 C ATOM 774 OG1 THR A 117 29.463 26.392 -27.500 1.00 40.01 O ATOM 775 CG2 THR A 117 29.470 26.537 -29.910 1.00 22.51 C ATOM 0 H THR A 117 30.732 24.434 -30.625 1.00 23.24 H new ATOM 0 HA THR A 117 30.392 23.844 -27.960 1.00 45.12 H new ATOM 0 HB THR A 117 31.129 26.022 -28.667 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.779 27.310 -27.369 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.653 27.610 -29.846 1.00 22.51 H new ATOM 0 HG22 THR A 117 29.942 26.142 -30.809 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.396 26.354 -29.954 1.00 22.51 H new ATOM 783 N GLU A 118 27.525 24.279 -29.551 1.00 13.24 N ATOM 784 CA GLU A 118 26.087 24.054 -29.463 1.00 64.41 C ATOM 785 C GLU A 118 25.776 22.566 -29.332 1.00 71.35 C ATOM 786 O GLU A 118 24.861 22.172 -28.610 1.00 2.31 O ATOM 787 CB GLU A 118 25.382 24.628 -30.694 1.00 42.20 C ATOM 788 CG GLU A 118 25.062 26.109 -30.579 1.00 62.40 C ATOM 789 CD GLU A 118 24.046 26.568 -31.607 1.00 32.23 C ATOM 790 OE1 GLU A 118 24.461 26.925 -32.730 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.839 26.571 -31.288 1.00 51.30 O1- ATOM 0 H GLU A 118 27.844 24.619 -30.458 1.00 13.24 H new ATOM 0 HA GLU A 118 25.719 24.564 -28.572 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.011 24.468 -31.570 1.00 42.20 H new ATOM 0 HB3 GLU A 118 24.456 24.077 -30.862 1.00 42.20 H new ATOM 0 HG2 GLU A 118 24.682 26.318 -29.579 1.00 62.40 H new ATOM 0 HG3 GLU A 118 25.979 26.685 -30.698 1.00 62.40 H new ATOM 798 N PHE A 119 26.544 21.743 -30.038 1.00 72.35 N ATOM 799 CA PHE A 119 26.352 20.298 -30.003 1.00 31.24 C ATOM 800 C PHE A 119 26.574 19.754 -28.595 1.00 51.21 C ATOM 801 O PHE A 119 25.973 18.754 -28.202 1.00 74.52 O ATOM 802 CB PHE A 119 27.304 19.611 -30.984 1.00 12.54 C ATOM 803 CG PHE A 119 27.518 18.154 -30.690 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.650 17.729 -30.014 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.588 17.209 -31.091 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.851 16.388 -29.742 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.782 15.867 -30.821 1.00 3.12 C ATOM 808 CZ PHE A 119 27.916 15.456 -30.146 1.00 63.33 C ATOM 0 H PHE A 119 27.306 22.052 -30.642 1.00 72.35 H new ATOM 0 HA PHE A 119 25.324 20.086 -30.297 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.909 19.715 -31.995 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.266 20.123 -30.963 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.385 18.454 -29.695 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.701 17.524 -31.621 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.738 16.070 -29.214 1.00 34.02 H new ATOM 0 HE2 PHE A 119 26.048 15.140 -31.137 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.070 14.408 -29.935 1.00 63.33 H new ATOM 818 N LYS A 120 27.442 20.419 -27.840 1.00 14.44 N ATOM 819 CA LYS A 120 27.745 20.005 -26.476 1.00 23.11 C ATOM 820 C LYS A 120 26.711 20.556 -25.498 1.00 34.44 C ATOM 821 O LYS A 120 26.352 19.898 -24.521 1.00 62.52 O ATOM 822 CB LYS A 120 29.144 20.477 -26.076 1.00 32.24 C ATOM 823 CG LYS A 120 30.209 19.402 -26.206 1.00 15.35 C ATOM 824 CD LYS A 120 31.588 20.005 -26.411 1.00 0.00 C ATOM 825 CE LYS A 120 31.988 20.892 -25.242 1.00 12.11 C ATOM 826 NZ LYS A 120 33.456 21.138 -25.210 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.948 21.248 -28.151 1.00 14.44 H new ATOM 0 HA LYS A 120 27.712 18.916 -26.438 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.422 21.329 -26.696 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.119 20.829 -25.045 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.212 18.781 -25.310 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.968 18.749 -27.045 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.321 19.207 -26.531 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.598 20.588 -27.332 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.462 21.844 -25.312 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.678 20.424 -24.308 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.688 21.746 -24.399 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.958 20.232 -25.118 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.749 21.608 -26.090 1.00 75.10 H new ATOM 840 N LYS A 121 26.236 21.767 -25.767 1.00 31.11 N ATOM 841 CA LYS A 121 25.243 22.408 -24.913 1.00 75.21 C ATOM 842 C LYS A 121 23.867 21.780 -25.114 1.00 2.10 C ATOM 843 O LYS A 121 23.075 21.683 -24.177 1.00 52.44 O ATOM 844 CB LYS A 121 25.178 23.908 -25.207 1.00 1.02 C ATOM 845 CG LYS A 121 24.078 24.289 -26.182 1.00 1.41 C ATOM 846 CD LYS A 121 24.223 25.729 -26.650 1.00 43.52 C ATOM 847 CE LYS A 121 23.956 26.712 -25.520 1.00 20.23 C ATOM 848 NZ LYS A 121 23.232 27.921 -25.996 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.523 22.325 -26.571 1.00 31.11 H new ATOM 0 HA LYS A 121 25.543 22.261 -23.876 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.026 24.447 -24.272 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.137 24.233 -25.610 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.106 23.621 -27.043 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.106 24.156 -25.706 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.228 25.886 -27.041 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.530 25.918 -27.469 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.371 26.221 -24.742 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.902 27.010 -25.067 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.069 28.566 -25.196 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 23.801 28.404 -26.720 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.318 27.640 -26.405 1.00 31.14 H new ATOM 862 N VAL A 122 23.590 21.353 -26.342 1.00 23.10 N ATOM 863 CA VAL A 122 22.311 20.731 -26.665 1.00 13.41 C ATOM 864 C VAL A 122 22.240 19.309 -26.124 1.00 52.23 C ATOM 865 O VAL A 122 21.165 18.710 -26.061 1.00 71.34 O ATOM 866 CB VAL A 122 22.069 20.704 -28.186 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.046 22.118 -28.748 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.130 19.863 -28.878 1.00 1.45 C ATOM 0 H VAL A 122 24.234 21.426 -27.130 1.00 23.10 H new ATOM 0 HA VAL A 122 21.536 21.335 -26.192 1.00 13.41 H new ATOM 0 HB VAL A 122 21.097 20.248 -28.375 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.874 22.079 -29.824 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.246 22.685 -28.273 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.002 22.604 -28.551 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.944 19.854 -29.952 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.115 20.288 -28.683 1.00 1.45 H new ATOM 0 HG23 VAL A 122 23.093 18.843 -28.495 1.00 1.45 H new ATOM 878 N LEU A 123 23.391 18.771 -25.734 1.00 4.14 N ATOM 879 CA LEU A 123 23.459 17.416 -25.197 1.00 53.40 C ATOM 880 C LEU A 123 23.204 17.414 -23.693 1.00 25.13 C ATOM 881 O LEU A 123 22.611 16.477 -23.155 1.00 61.25 O ATOM 882 CB LEU A 123 24.826 16.798 -25.496 1.00 74.02 C ATOM 883 CG LEU A 123 24.951 16.058 -26.828 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.028 16.672 -27.868 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.394 16.076 -27.314 1.00 1.21 C ATOM 0 H LEU A 123 24.289 19.252 -25.780 1.00 4.14 H new ATOM 0 HA LEU A 123 22.684 16.820 -25.678 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.574 17.591 -25.472 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.072 16.103 -24.693 1.00 74.02 H new ATOM 0 HG LEU A 123 24.653 15.021 -26.676 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.131 16.132 -28.809 1.00 42.44 H new ATOM 0 HD12 LEU A 123 22.996 16.606 -27.523 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.294 17.718 -28.019 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.465 15.545 -28.263 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.719 17.107 -27.450 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.032 15.589 -26.577 1.00 1.21 H new ATOM 897 N LEU A 124 23.653 18.466 -23.020 1.00 54.13 N ATOM 898 CA LEU A 124 23.472 18.587 -21.578 1.00 75.34 C ATOM 899 C LEU A 124 22.182 19.333 -21.251 1.00 14.20 C ATOM 900 O LEU A 124 21.543 19.072 -20.233 1.00 71.21 O ATOM 901 CB LEU A 124 24.666 19.310 -20.951 1.00 22.35 C ATOM 902 CG LEU A 124 25.868 18.436 -20.593 1.00 2.11 C ATOM 903 CD1 LEU A 124 25.475 17.383 -19.567 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.441 17.779 -21.841 1.00 45.33 C ATOM 0 H LEU A 124 24.146 19.249 -23.450 1.00 54.13 H new ATOM 0 HA LEU A 124 23.405 17.582 -21.161 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.999 20.085 -21.641 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.326 19.813 -20.046 1.00 22.35 H new ATOM 0 HG LEU A 124 26.638 19.072 -20.155 1.00 2.11 H new ATOM 0 HD11 LEU A 124 26.343 16.770 -19.324 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.112 17.873 -18.663 1.00 33.13 H new ATOM 0 HD13 LEU A 124 24.688 16.751 -19.978 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.296 17.161 -21.567 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.678 17.156 -22.308 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.760 18.549 -22.543 1.00 45.33 H new ATOM 916 N GLU A 125 21.806 20.263 -22.124 1.00 14.41 N ATOM 917 CA GLU A 125 20.591 21.046 -21.929 1.00 41.11 C ATOM 918 C GLU A 125 19.414 20.145 -21.568 1.00 63.43 C ATOM 919 O GLU A 125 18.807 20.270 -20.505 1.00 14.15 O ATOM 920 CB GLU A 125 20.266 21.847 -23.192 1.00 64.13 C ATOM 921 CG GLU A 125 18.780 22.099 -23.387 1.00 62.33 C ATOM 922 CD GLU A 125 18.135 22.747 -22.177 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.756 23.656 -21.589 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.009 22.343 -21.818 1.00 3.44 O1- ATOM 0 H GLU A 125 22.325 20.492 -22.972 1.00 14.41 H new ATOM 0 HA GLU A 125 20.763 21.736 -21.103 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.786 22.804 -23.149 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.653 21.313 -24.060 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.635 22.738 -24.258 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.280 21.154 -23.599 1.00 62.33 H new ATOM 931 N PRO A 126 19.084 19.213 -22.475 1.00 30.12 N ATOM 932 CA PRO A 126 17.978 18.272 -22.275 1.00 22.40 C ATOM 933 C PRO A 126 18.278 17.247 -21.186 1.00 25.33 C ATOM 934 O PRO A 126 19.437 16.934 -20.918 1.00 41.31 O ATOM 935 CB PRO A 126 17.847 17.584 -23.637 1.00 61.24 C ATOM 936 CG PRO A 126 19.200 17.701 -24.250 1.00 12.33 C ATOM 937 CD PRO A 126 19.764 19.006 -23.764 1.00 0.12 C ATOM 0 HA PRO A 126 17.068 18.776 -21.947 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.551 16.541 -23.527 1.00 61.24 H new ATOM 0 HB3 PRO A 126 17.089 18.067 -24.254 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.836 16.867 -23.954 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.138 17.684 -25.338 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.846 18.956 -23.644 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.558 19.818 -24.462 1.00 0.12 H new ATOM 945 N GLY A 127 17.225 16.726 -20.564 1.00 43.42 N ATOM 946 CA GLY A 127 17.398 15.741 -19.511 1.00 51.41 C ATOM 947 C GLY A 127 17.399 14.322 -20.042 1.00 23.25 C ATOM 948 O GLY A 127 17.862 13.400 -19.368 1.00 21.10 O ATOM 0 H GLY A 127 16.256 16.968 -20.770 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.336 15.932 -18.990 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.598 15.852 -18.779 1.00 51.41 H new ATOM 952 N SER A 128 16.877 14.142 -21.251 1.00 64.24 N ATOM 953 CA SER A 128 16.815 12.823 -21.869 1.00 14.15 C ATOM 954 C SER A 128 18.114 12.505 -22.603 1.00 43.42 C ATOM 955 O SER A 128 18.101 12.085 -23.760 1.00 75.43 O ATOM 956 CB SER A 128 15.635 12.747 -22.840 1.00 12.14 C ATOM 957 OG SER A 128 15.189 11.411 -22.996 1.00 41.51 O ATOM 0 H SER A 128 16.491 14.894 -21.822 1.00 64.24 H new ATOM 0 HA SER A 128 16.675 12.085 -21.079 1.00 14.15 H new ATOM 0 HB2 SER A 128 14.817 13.366 -22.472 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.930 13.151 -23.808 1.00 12.14 H new ATOM 0 HG SER A 128 14.434 11.389 -23.620 1.00 41.51 H new ATOM 963 N LYS A 129 19.237 12.707 -21.921 1.00 13.44 N ATOM 964 CA LYS A 129 20.546 12.441 -22.505 1.00 70.44 C ATOM 965 C LYS A 129 20.656 10.988 -22.955 1.00 11.20 C ATOM 966 O LYS A 129 21.538 10.636 -23.737 1.00 23.24 O ATOM 967 CB LYS A 129 21.652 12.759 -21.495 1.00 55.21 C ATOM 968 CG LYS A 129 21.435 12.120 -20.135 1.00 13.43 C ATOM 969 CD LYS A 129 21.176 13.166 -19.063 1.00 2.32 C ATOM 970 CE LYS A 129 20.387 12.587 -17.899 1.00 34.02 C ATOM 971 NZ LYS A 129 21.281 12.030 -16.846 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.266 13.054 -20.962 1.00 13.44 H new ATOM 0 HA LYS A 129 20.664 13.083 -23.378 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.608 12.422 -21.897 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.721 13.840 -21.372 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.591 11.432 -20.185 1.00 13.43 H new ATOM 0 HG3 LYS A 129 22.311 11.530 -19.865 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.125 13.560 -18.700 1.00 2.32 H new ATOM 0 HD3 LYS A 129 20.628 14.003 -19.495 1.00 2.32 H new ATOM 0 HE2 LYS A 129 19.756 13.363 -17.466 1.00 34.02 H new ATOM 0 HE3 LYS A 129 19.723 11.803 -18.264 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.705 11.645 -16.070 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 21.866 11.272 -17.252 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 21.897 12.784 -16.479 1.00 60.14 H new ATOM 985 N ASN A 130 19.755 10.149 -22.456 1.00 50.25 N ATOM 986 CA ASN A 130 19.751 8.733 -22.807 1.00 20.54 C ATOM 987 C ASN A 130 19.222 8.526 -24.222 1.00 24.34 C ATOM 988 O ASN A 130 19.159 7.399 -24.715 1.00 52.01 O ATOM 989 CB ASN A 130 18.901 7.941 -21.811 1.00 13.43 C ATOM 990 CG ASN A 130 17.421 8.247 -21.944 1.00 62.11 C ATOM 991 OD1 ASN A 130 16.775 7.838 -22.908 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.878 8.972 -20.972 1.00 30.42 N ATOM 0 H ASN A 130 19.018 10.425 -21.807 1.00 50.25 H new ATOM 0 HA ASN A 130 20.778 8.371 -22.765 1.00 20.54 H new ATOM 0 HB2 ASN A 130 19.064 6.874 -21.965 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.227 8.170 -20.796 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.887 9.211 -21.007 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.452 9.290 -20.191 1.00 30.42 H new ATOM 999 N LEU A 131 18.843 9.620 -24.873 1.00 22.31 N ATOM 1000 CA LEU A 131 18.319 9.560 -26.233 1.00 15.12 C ATOM 1001 C LEU A 131 19.378 9.041 -27.201 1.00 65.34 C ATOM 1002 O LEU A 131 20.564 8.998 -26.876 1.00 42.41 O ATOM 1003 CB LEU A 131 17.839 10.943 -26.678 1.00 11.43 C ATOM 1004 CG LEU A 131 18.879 12.063 -26.626 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.637 12.147 -27.942 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.214 13.393 -26.306 1.00 50.13 C ATOM 0 H LEU A 131 18.889 10.560 -24.481 1.00 22.31 H new ATOM 0 HA LEU A 131 17.475 8.870 -26.241 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.469 10.865 -27.700 1.00 11.43 H new ATOM 0 HB3 LEU A 131 16.993 11.230 -26.053 1.00 11.43 H new ATOM 0 HG LEU A 131 19.592 11.836 -25.833 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.373 12.949 -27.887 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.145 11.201 -28.131 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.937 12.351 -28.753 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.969 14.179 -26.273 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.480 13.627 -27.077 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.716 13.327 -25.339 1.00 50.13 H new ATOM 1018 N SER A 132 18.940 8.648 -28.393 1.00 12.44 N ATOM 1019 CA SER A 132 19.849 8.130 -29.408 1.00 34.35 C ATOM 1020 C SER A 132 20.744 9.239 -29.952 1.00 0.35 C ATOM 1021 O SER A 132 20.315 10.384 -30.096 1.00 24.34 O ATOM 1022 CB SER A 132 19.059 7.490 -30.552 1.00 71.11 C ATOM 1023 OG SER A 132 18.941 8.378 -31.650 1.00 74.41 O ATOM 0 H SER A 132 17.961 8.679 -28.679 1.00 12.44 H new ATOM 0 HA SER A 132 20.480 7.372 -28.943 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.555 6.574 -30.873 1.00 71.11 H new ATOM 0 HB3 SER A 132 18.067 7.208 -30.200 1.00 71.11 H new ATOM 0 HG SER A 132 18.874 7.863 -32.481 1.00 74.41 H new ATOM 1029 N ILE A 133 21.991 8.890 -30.254 1.00 2.43 N ATOM 1030 CA ILE A 133 22.947 9.856 -30.783 1.00 72.04 C ATOM 1031 C ILE A 133 22.414 10.520 -32.048 1.00 24.01 C ATOM 1032 O ILE A 133 22.690 11.691 -32.309 1.00 53.43 O ATOM 1033 CB ILE A 133 24.301 9.192 -31.097 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.273 10.218 -31.681 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.110 8.027 -32.057 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.689 10.072 -31.168 1.00 63.31 C ATOM 0 H ILE A 133 22.362 7.947 -30.142 1.00 2.43 H new ATOM 0 HA ILE A 133 23.092 10.613 -30.012 1.00 72.04 H new ATOM 0 HB ILE A 133 24.724 8.806 -30.169 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.278 10.125 -32.767 1.00 14.41 H new ATOM 0 HG13 ILE A 133 24.913 11.220 -31.449 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.076 7.568 -32.269 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.449 7.288 -31.605 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.669 8.389 -32.985 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.322 10.833 -31.625 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.698 10.195 -30.085 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.068 9.083 -31.424 1.00 63.31 H new ATOM 1048 N TYR A 134 21.648 9.766 -32.828 1.00 51.34 N ATOM 1049 CA TYR A 134 21.077 10.282 -34.066 1.00 14.53 C ATOM 1050 C TYR A 134 20.355 11.604 -33.824 1.00 72.13 C ATOM 1051 O TYR A 134 20.381 12.501 -34.666 1.00 64.14 O ATOM 1052 CB TYR A 134 20.108 9.263 -34.669 1.00 10.23 C ATOM 1053 CG TYR A 134 19.672 9.600 -36.077 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.587 10.062 -37.016 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.347 9.459 -36.468 1.00 14.43 C ATOM 1056 CE1 TYR A 134 20.193 10.373 -38.303 1.00 43.31 C ATOM 1057 CE2 TYR A 134 17.945 9.766 -37.753 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.871 10.223 -38.667 1.00 2.11 C ATOM 1059 OH TYR A 134 18.475 10.531 -39.949 1.00 3.43 O ATOM 0 H TYR A 134 21.408 8.796 -32.625 1.00 51.34 H new ATOM 0 HA TYR A 134 21.893 10.457 -34.767 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.581 8.281 -34.670 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.226 9.192 -34.032 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.623 10.180 -36.735 1.00 75.12 H new ATOM 0 HD2 TYR A 134 17.618 9.103 -35.755 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.916 10.732 -39.020 1.00 43.31 H new ATOM 0 HE2 TYR A 134 16.911 9.649 -38.041 1.00 22.22 H new ATOM 0 HH TYR A 134 17.513 10.369 -40.042 1.00 3.43 H new ATOM 1069 N GLN A 135 19.712 11.716 -32.666 1.00 15.24 N ATOM 1070 CA GLN A 135 18.983 12.928 -32.312 1.00 3.44 C ATOM 1071 C GLN A 135 19.941 14.032 -31.878 1.00 63.55 C ATOM 1072 O GLN A 135 19.730 15.208 -32.181 1.00 15.31 O ATOM 1073 CB GLN A 135 17.980 12.637 -31.193 1.00 23.05 C ATOM 1074 CG GLN A 135 17.321 11.272 -31.307 1.00 5.20 C ATOM 1075 CD GLN A 135 16.862 10.960 -32.717 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.389 11.840 -33.437 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.001 9.702 -33.121 1.00 23.23 N ATOM 0 H GLN A 135 19.681 10.983 -31.958 1.00 15.24 H new ATOM 0 HA GLN A 135 18.442 13.268 -33.195 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.490 12.706 -30.232 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.208 13.406 -31.200 1.00 23.05 H new ATOM 0 HG2 GLN A 135 18.024 10.505 -30.980 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.466 11.229 -30.633 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.398 9.005 -32.491 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.711 9.433 -34.061 1.00 23.23 H new ATOM 1086 N THR A 136 20.994 13.648 -31.164 1.00 4.35 N ATOM 1087 CA THR A 136 21.984 14.605 -30.685 1.00 41.33 C ATOM 1088 C THR A 136 22.584 15.398 -31.841 1.00 13.53 C ATOM 1089 O THR A 136 22.649 16.627 -31.795 1.00 52.25 O ATOM 1090 CB THR A 136 23.119 13.903 -29.916 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.966 13.197 -30.829 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.556 12.934 -28.887 1.00 12.34 C ATOM 0 H THR A 136 21.184 12.680 -30.904 1.00 4.35 H new ATOM 0 HA THR A 136 21.465 15.286 -30.010 1.00 41.33 H new ATOM 0 HB THR A 136 23.701 14.664 -29.396 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.435 12.543 -31.329 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.376 12.450 -28.356 1.00 12.34 H new ATOM 0 HG22 THR A 136 21.935 13.479 -28.176 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.953 12.178 -29.391 1.00 12.34 H new ATOM 1100 N LEU A 137 23.021 14.689 -32.875 1.00 40.20 N ATOM 1101 CA LEU A 137 23.615 15.328 -34.044 1.00 24.30 C ATOM 1102 C LEU A 137 22.545 15.997 -34.903 1.00 25.13 C ATOM 1103 O LEU A 137 22.687 17.154 -35.301 1.00 73.04 O ATOM 1104 CB LEU A 137 24.385 14.301 -34.876 1.00 71.51 C ATOM 1105 CG LEU A 137 25.542 13.595 -34.168 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.131 12.512 -35.058 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.613 14.598 -33.765 1.00 41.53 C ATOM 0 H LEU A 137 22.975 13.671 -32.928 1.00 40.20 H new ATOM 0 HA LEU A 137 24.306 16.095 -33.695 1.00 24.30 H new ATOM 0 HB2 LEU A 137 23.682 13.544 -35.224 1.00 71.51 H new ATOM 0 HB3 LEU A 137 24.778 14.801 -35.761 1.00 71.51 H new ATOM 0 HG LEU A 137 25.156 13.124 -33.264 1.00 14.44 H new ATOM 0 HD11 LEU A 137 26.953 12.021 -34.538 1.00 42.21 H new ATOM 0 HD12 LEU A 137 25.361 11.778 -35.296 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.502 12.960 -35.980 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.428 14.078 -33.263 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.996 15.099 -34.654 1.00 41.53 H new ATOM 0 HD23 LEU A 137 26.183 15.337 -33.089 1.00 41.53 H new ATOM 1119 N LEU A 138 21.476 15.261 -35.184 1.00 10.14 N ATOM 1120 CA LEU A 138 20.380 15.783 -35.994 1.00 31.24 C ATOM 1121 C LEU A 138 19.846 17.087 -35.412 1.00 11.02 C ATOM 1122 O LEU A 138 19.574 18.039 -36.142 1.00 71.33 O ATOM 1123 CB LEU A 138 19.253 14.752 -36.085 1.00 41.12 C ATOM 1124 CG LEU A 138 18.060 15.139 -36.960 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.421 13.901 -37.570 1.00 14.12 C ATOM 1126 CD2 LEU A 138 17.038 15.925 -36.152 1.00 22.45 C ATOM 0 H LEU A 138 21.344 14.302 -34.864 1.00 10.14 H new ATOM 0 HA LEU A 138 20.763 15.984 -36.995 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.670 13.820 -36.466 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.889 14.551 -35.077 1.00 41.12 H new ATOM 0 HG LEU A 138 18.420 15.774 -37.770 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.574 14.196 -38.189 1.00 14.12 H new ATOM 0 HD12 LEU A 138 18.154 13.378 -38.184 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.076 13.240 -36.775 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.196 16.192 -36.791 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.684 15.315 -35.321 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.501 16.832 -35.764 1.00 22.45 H new ATOM 1138 N ALA A 139 19.700 17.125 -34.092 1.00 11.23 N ATOM 1139 CA ALA A 139 19.203 18.313 -33.410 1.00 25.20 C ATOM 1140 C ALA A 139 20.241 19.430 -33.427 1.00 1.41 C ATOM 1141 O ALA A 139 19.973 20.535 -33.899 1.00 21.21 O ATOM 1142 CB ALA A 139 18.810 17.977 -31.980 1.00 44.04 C ATOM 0 H ALA A 139 19.919 16.345 -33.473 1.00 11.23 H new ATOM 0 HA ALA A 139 18.320 18.664 -33.944 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.441 18.874 -31.484 1.00 44.04 H new ATOM 0 HB2 ALA A 139 18.028 17.218 -31.986 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.679 17.597 -31.443 1.00 44.04 H new ATOM 1148 N ALA A 140 21.429 19.134 -32.909 1.00 70.34 N ATOM 1149 CA ALA A 140 22.508 20.114 -32.865 1.00 73.32 C ATOM 1150 C ALA A 140 22.765 20.709 -34.245 1.00 31.53 C ATOM 1151 O ALA A 140 23.087 21.891 -34.373 1.00 61.43 O ATOM 1152 CB ALA A 140 23.778 19.476 -32.319 1.00 20.30 C ATOM 0 H ALA A 140 21.668 18.224 -32.514 1.00 70.34 H new ATOM 0 HA ALA A 140 22.205 20.922 -32.200 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.575 20.219 -32.292 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.594 19.104 -31.311 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.075 18.648 -32.963 1.00 20.30 H new ATOM 1158 N HIS A 141 22.623 19.883 -35.278 1.00 1.44 N ATOM 1159 CA HIS A 141 22.839 20.328 -36.649 1.00 35.23 C ATOM 1160 C HIS A 141 21.704 21.236 -37.112 1.00 23.11 C ATOM 1161 O HIS A 141 21.914 22.416 -37.392 1.00 71.12 O ATOM 1162 CB HIS A 141 22.961 19.126 -37.586 1.00 54.14 C ATOM 1163 CG HIS A 141 23.280 19.498 -39.001 1.00 62.40 C ATOM 1164 ND1 HIS A 141 22.313 19.801 -39.935 1.00 11.41 N ATOM 1165 CD2 HIS A 141 24.468 19.617 -39.638 1.00 55.51 C ATOM 1166 CE1 HIS A 141 22.892 20.088 -41.088 1.00 43.34 C ATOM 1167 NE2 HIS A 141 24.200 19.984 -40.934 1.00 1.53 N ATOM 0 H HIS A 141 22.359 18.902 -35.190 1.00 1.44 H new ATOM 0 HA HIS A 141 23.769 20.896 -36.677 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.738 18.461 -37.210 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.026 18.566 -37.568 1.00 54.14 H new ATOM 0 HD2 HIS A 141 25.445 19.454 -39.207 1.00 55.51 H new ATOM 0 HE1 HIS A 141 22.383 20.361 -42.000 1.00 43.34 H new ATOM 0 HE2 HIS A 141 24.897 20.149 -41.660 1.00 1.53 H new ATOM 1176 N GLU A 142 20.501 20.676 -37.190 1.00 21.22 N ATOM 1177 CA GLU A 142 19.333 21.436 -37.622 1.00 60.01 C ATOM 1178 C GLU A 142 19.193 22.725 -36.816 1.00 12.12 C ATOM 1179 O GLU A 142 18.780 23.757 -37.343 1.00 65.25 O ATOM 1180 CB GLU A 142 18.065 20.591 -37.476 1.00 0.33 C ATOM 1181 CG GLU A 142 17.975 19.450 -38.476 1.00 13.53 C ATOM 1182 CD GLU A 142 16.639 19.406 -39.191 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.695 18.796 -38.645 1.00 13.54 O ATOM 1184 OE2 GLU A 142 16.536 19.978 -40.295 1.00 0.23 O1- ATOM 0 H GLU A 142 20.309 19.701 -36.960 1.00 21.22 H new ATOM 0 HA GLU A 142 19.469 21.697 -38.671 1.00 60.01 H new ATOM 0 HB2 GLU A 142 18.025 20.182 -36.466 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.194 21.235 -37.593 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.773 19.552 -39.211 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.137 18.505 -37.959 1.00 13.53 H new ATOM 1191 N ARG A 143 19.542 22.655 -35.535 1.00 11.21 N ATOM 1192 CA ARG A 143 19.455 23.814 -34.655 1.00 60.32 C ATOM 1193 C ARG A 143 20.455 24.889 -35.072 1.00 61.53 C ATOM 1194 O ARG A 143 20.186 26.084 -34.947 1.00 4.22 O ATOM 1195 CB ARG A 143 19.710 23.400 -33.205 1.00 31.13 C ATOM 1196 CG ARG A 143 18.486 22.821 -32.513 1.00 61.33 C ATOM 1197 CD ARG A 143 18.583 22.955 -31.003 1.00 34.34 C ATOM 1198 NE ARG A 143 18.119 21.754 -30.314 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.837 21.475 -30.106 1.00 42.24 C ATOM 1200 NH1 ARG A 143 15.897 22.308 -30.531 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.494 20.362 -29.472 1.00 72.21 N ATOM 0 H ARG A 143 19.888 21.808 -35.084 1.00 11.21 H new ATOM 0 HA ARG A 143 18.449 24.226 -34.736 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.513 22.663 -33.182 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.058 24.267 -32.644 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.591 23.332 -32.868 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.380 21.769 -32.780 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.617 23.156 -30.723 1.00 34.34 H new ATOM 0 HD3 ARG A 143 17.992 23.811 -30.677 1.00 34.34 H new ATOM 0 HE ARG A 143 18.818 21.093 -29.974 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.158 23.165 -31.019 1.00 31.10 H new ATOM 0 HH12 ARG A 143 14.913 22.092 -30.370 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.215 19.719 -29.144 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.509 20.149 -29.313 1.00 72.21 H new ATOM 1215 N LEU A 144 21.609 24.456 -35.566 1.00 51.52 N ATOM 1216 CA LEU A 144 22.650 25.381 -36.001 1.00 34.24 C ATOM 1217 C LEU A 144 22.181 26.209 -37.192 1.00 61.12 C ATOM 1218 O LEU A 144 22.532 27.381 -37.322 1.00 51.43 O ATOM 1219 CB LEU A 144 23.921 24.612 -36.370 1.00 61.43 C ATOM 1220 CG LEU A 144 25.112 25.460 -36.817 1.00 62.04 C ATOM 1221 CD1 LEU A 144 25.909 25.940 -35.614 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.001 24.671 -37.767 1.00 54.33 C ATOM 0 H LEU A 144 21.848 23.470 -35.676 1.00 51.52 H new ATOM 0 HA LEU A 144 22.868 26.058 -35.175 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.226 24.019 -35.508 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.679 23.912 -37.169 1.00 61.43 H new ATOM 0 HG LEU A 144 24.732 26.334 -37.346 1.00 62.04 H new ATOM 0 HD11 LEU A 144 26.752 26.542 -35.953 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.268 26.543 -34.970 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.278 25.080 -35.055 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.844 25.290 -38.075 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.371 23.779 -37.262 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.426 24.378 -38.645 1.00 54.33 H new ATOM 1234 N GLN A 145 21.383 25.592 -38.058 1.00 51.00 N ATOM 1235 CA GLN A 145 20.864 26.273 -39.238 1.00 12.25 C ATOM 1236 C GLN A 145 19.396 26.641 -39.052 1.00 12.51 C ATOM 1237 O GLN A 145 18.617 26.627 -40.005 1.00 14.40 O ATOM 1238 CB GLN A 145 21.028 25.391 -40.477 1.00 54.30 C ATOM 1239 CG GLN A 145 22.434 24.839 -40.649 1.00 44.02 C ATOM 1240 CD GLN A 145 22.601 23.463 -40.034 1.00 45.43 C ATOM 1241 OE1 GLN A 145 23.811 23.161 -39.577 1.00 3.44 O flip ATOM 1242 NE2 GLN A 145 21.653 22.681 -39.970 1.00 40.43 N flip ATOM 0 H GLN A 145 21.082 24.622 -37.964 1.00 51.00 H new ATOM 0 HA GLN A 145 21.435 27.191 -39.377 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.325 24.560 -40.417 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.763 25.969 -41.362 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.673 24.789 -41.711 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.148 25.525 -40.193 1.00 44.02 H new ATOM 0 HE21 GLN A 145 20.740 22.955 -40.334 1.00 40.43 H new ATOM 0 HE22 GLN A 145 21.780 21.759 -39.553 1.00 40.43 H new ATOM 1251 N ALA A 146 19.024 26.968 -37.819 1.00 25.41 N ATOM 1252 CA ALA A 146 17.649 27.340 -37.509 1.00 61.13 C ATOM 1253 C ALA A 146 17.410 28.823 -37.772 1.00 43.10 C ATOM 1254 O ALA A 146 16.411 29.202 -38.385 1.00 53.12 O ATOM 1255 CB ALA A 146 17.324 27.000 -36.062 1.00 73.03 C ATOM 0 H ALA A 146 19.656 26.983 -37.018 1.00 25.41 H new ATOM 0 HA ALA A 146 16.988 26.770 -38.162 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.294 27.283 -35.844 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.447 25.929 -35.904 1.00 73.03 H new ATOM 0 HB3 ALA A 146 17.998 27.544 -35.400 1.00 73.03 H new ATOM 1261 N LEU A 147 18.331 29.658 -37.305 1.00 64.13 N ATOM 1262 CA LEU A 147 18.220 31.102 -37.489 1.00 53.53 C ATOM 1263 C LEU A 147 16.886 31.617 -36.957 1.00 25.45 C ATOM 1264 O LEU A 147 16.721 32.828 -36.819 1.00 52.04 O ATOM 1265 CB LEU A 147 18.364 31.459 -38.970 1.00 12.24 C ATOM 1266 CG LEU A 147 19.616 32.249 -39.351 1.00 10.30 C ATOM 1267 CD1 LEU A 147 20.765 31.306 -39.672 1.00 75.04 C ATOM 1268 CD2 LEU A 147 19.330 33.166 -40.531 1.00 34.23 C ATOM 0 H LEU A 147 19.163 29.361 -36.796 1.00 64.13 H new ATOM 0 HA LEU A 147 19.023 31.579 -36.927 1.00 53.53 H new ATOM 0 HB2 LEU A 147 18.351 30.535 -39.549 1.00 12.24 H new ATOM 0 HB3 LEU A 147 17.489 32.036 -39.271 1.00 12.24 H new ATOM 0 HG LEU A 147 19.906 32.865 -38.500 1.00 10.30 H new ATOM 0 HD11 LEU A 147 21.648 31.886 -39.941 1.00 75.04 H new ATOM 0 HD12 LEU A 147 20.987 30.692 -38.799 1.00 75.04 H new ATOM 0 HD13 LEU A 147 20.486 30.663 -40.506 1.00 75.04 H new ATOM 0 HD21 LEU A 147 20.233 33.720 -40.788 1.00 34.23 H new ATOM 0 HD22 LEU A 147 19.014 32.570 -41.387 1.00 34.23 H new ATOM 0 HD23 LEU A 147 18.538 33.866 -40.264 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 30.955 29.208 -27.961 1.00 21.13 N ATOM 1282 CA HIS B 518 31.723 30.449 -27.951 1.00 35.22 C ATOM 1283 C HIS B 518 32.752 30.461 -29.076 1.00 35.13 C ATOM 1284 O HIS B 518 32.945 29.459 -29.765 1.00 13.03 O ATOM 1285 CB HIS B 518 32.421 30.629 -26.603 1.00 50.40 C ATOM 1286 CG HIS B 518 32.604 32.063 -26.210 1.00 11.31 C ATOM 1287 ND1 HIS B 518 31.654 33.034 -26.445 1.00 51.44 N ATOM 1288 CD2 HIS B 518 33.635 32.687 -25.593 1.00 52.22 C ATOM 1289 CE1 HIS B 518 32.093 34.195 -25.991 1.00 51.12 C ATOM 1290 NE2 HIS B 518 33.293 34.011 -25.469 1.00 12.11 N ATOM 0 HA HIS B 518 31.032 31.277 -28.108 1.00 35.22 H new ATOM 0 HB2 HIS B 518 31.841 30.121 -25.832 1.00 50.40 H new ATOM 0 HB3 HIS B 518 33.396 30.144 -26.640 1.00 50.40 H new ATOM 0 HD2 HIS B 518 34.555 32.229 -25.260 1.00 52.22 H new ATOM 0 HE1 HIS B 518 31.562 35.134 -26.039 1.00 51.12 H new ATOM 0 HE2 HIS B 518 33.871 34.735 -25.043 1.00 12.11 H new ATOM 1299 N MET B 519 33.409 31.601 -29.258 1.00 20.22 N ATOM 1300 CA MET B 519 34.420 31.743 -30.300 1.00 45.23 C ATOM 1301 C MET B 519 35.803 31.382 -29.770 1.00 50.30 C ATOM 1302 O MET B 519 35.986 31.186 -28.568 1.00 40.52 O ATOM 1303 CB MET B 519 34.426 33.173 -30.842 1.00 3.13 C ATOM 1304 CG MET B 519 33.418 33.406 -31.957 1.00 31.34 C ATOM 1305 SD MET B 519 33.553 35.051 -32.683 1.00 5.43 S ATOM 1306 CE MET B 519 32.181 35.885 -31.892 1.00 34.34 C ATOM 0 H MET B 519 33.260 32.440 -28.698 1.00 20.22 H new ATOM 0 HA MET B 519 34.171 31.056 -31.109 1.00 45.23 H new ATOM 0 HB2 MET B 519 34.217 33.863 -30.025 1.00 3.13 H new ATOM 0 HB3 MET B 519 35.424 33.409 -31.211 1.00 3.13 H new ATOM 0 HG2 MET B 519 33.563 32.657 -32.735 1.00 31.34 H new ATOM 0 HG3 MET B 519 32.410 33.268 -31.565 1.00 31.34 H new ATOM 0 HE1 MET B 519 32.133 36.917 -32.240 1.00 34.34 H new ATOM 0 HE2 MET B 519 31.251 35.374 -32.142 1.00 34.34 H new ATOM 0 HE3 MET B 519 32.322 35.873 -30.811 1.00 34.34 H new ATOM 1316 N ASP B 520 36.773 31.293 -30.672 1.00 74.23 N ATOM 1317 CA ASP B 520 38.141 30.956 -30.295 1.00 31.44 C ATOM 1318 C ASP B 520 38.922 32.207 -29.905 1.00 44.32 C ATOM 1319 O ASP B 520 38.596 33.323 -30.311 1.00 1.42 O ATOM 1320 CB ASP B 520 38.847 30.236 -31.444 1.00 25.13 C ATOM 1321 CG ASP B 520 38.636 30.925 -32.777 1.00 32.35 C ATOM 1322 OD1 ASP B 520 38.755 30.250 -33.820 1.00 72.23 O ATOM 1323 OD2 ASP B 520 38.350 32.141 -32.777 1.00 3.02 O1- ATOM 0 H ASP B 520 36.638 31.450 -31.671 1.00 74.23 H new ATOM 0 HA ASP B 520 38.100 30.292 -29.432 1.00 31.44 H new ATOM 0 HB2 ASP B 520 39.915 30.180 -31.232 1.00 25.13 H new ATOM 0 HB3 ASP B 520 38.481 29.211 -31.506 1.00 25.13 H new ATOM 1328 N PRO B 521 39.977 32.020 -29.099 1.00 54.32 N ATOM 1329 CA PRO B 521 40.826 33.122 -28.638 1.00 73.43 C ATOM 1330 C PRO B 521 41.667 33.716 -29.762 1.00 14.40 C ATOM 1331 O PRO B 521 41.757 34.937 -29.904 1.00 3.11 O ATOM 1332 CB PRO B 521 41.726 32.462 -27.590 1.00 34.25 C ATOM 1333 CG PRO B 521 41.768 31.024 -27.979 1.00 74.43 C ATOM 1334 CD PRO B 521 40.424 30.717 -28.578 1.00 2.40 C ATOM 0 HA PRO B 521 40.238 33.955 -28.252 1.00 73.43 H new ATOM 0 HB2 PRO B 521 42.723 32.902 -27.591 1.00 34.25 H new ATOM 0 HB3 PRO B 521 41.323 32.589 -26.585 1.00 34.25 H new ATOM 0 HG2 PRO B 521 42.567 30.837 -28.697 1.00 74.43 H new ATOM 0 HG3 PRO B 521 41.963 30.391 -27.113 1.00 74.43 H new ATOM 0 HD2 PRO B 521 40.498 29.972 -29.370 1.00 2.40 H new ATOM 0 HD3 PRO B 521 39.732 30.323 -27.833 1.00 2.40 H new ATOM 1342 N LEU B 522 42.280 32.849 -30.559 1.00 1.11 N ATOM 1343 CA LEU B 522 43.113 33.289 -31.673 1.00 75.22 C ATOM 1344 C LEU B 522 43.593 32.099 -32.498 1.00 30.33 C ATOM 1345 O LEU B 522 43.443 30.947 -32.092 1.00 4.43 O ATOM 1346 CB LEU B 522 44.314 34.083 -31.154 1.00 22.31 C ATOM 1347 CG LEU B 522 45.233 33.348 -30.177 1.00 23.42 C ATOM 1348 CD1 LEU B 522 46.669 33.363 -30.680 1.00 31.54 C ATOM 1349 CD2 LEU B 522 45.143 33.969 -28.791 1.00 64.43 C ATOM 0 H LEU B 522 42.216 31.836 -30.455 1.00 1.11 H new ATOM 0 HA LEU B 522 42.510 33.932 -32.314 1.00 75.22 H new ATOM 0 HB2 LEU B 522 44.909 34.404 -32.009 1.00 22.31 H new ATOM 0 HB3 LEU B 522 43.944 34.985 -30.666 1.00 22.31 H new ATOM 0 HG LEU B 522 44.905 32.311 -30.110 1.00 23.42 H new ATOM 0 HD11 LEU B 522 47.308 32.835 -29.972 1.00 31.54 H new ATOM 0 HD12 LEU B 522 46.720 32.871 -31.651 1.00 31.54 H new ATOM 0 HD13 LEU B 522 47.010 34.394 -30.778 1.00 31.54 H new ATOM 0 HD21 LEU B 522 45.803 33.434 -28.109 1.00 64.43 H new ATOM 0 HD22 LEU B 522 45.444 35.015 -28.841 1.00 64.43 H new ATOM 0 HD23 LEU B 522 44.117 33.904 -28.429 1.00 64.43 H new ATOM 1361 N THR B 523 44.173 32.386 -33.659 1.00 53.05 N ATOM 1362 CA THR B 523 44.677 31.340 -34.541 1.00 40.25 C ATOM 1363 C THR B 523 46.175 31.493 -34.776 1.00 12.10 C ATOM 1364 O THR B 523 46.618 32.268 -35.625 1.00 20.21 O ATOM 1365 CB THR B 523 43.950 31.354 -35.899 1.00 32.04 C ATOM 1366 OG1 THR B 523 44.626 30.494 -36.824 1.00 63.35 O ATOM 1367 CG2 THR B 523 43.887 32.764 -36.465 1.00 73.11 C ATOM 0 H THR B 523 44.306 33.334 -34.011 1.00 53.05 H new ATOM 0 HA THR B 523 44.487 30.388 -34.045 1.00 40.25 H new ATOM 0 HB THR B 523 42.932 30.996 -35.745 1.00 32.04 H new ATOM 0 HG1 THR B 523 44.158 30.507 -37.685 1.00 63.35 H new ATOM 0 HG21 THR B 523 43.369 32.748 -37.424 1.00 73.11 H new ATOM 0 HG22 THR B 523 43.348 33.410 -35.772 1.00 73.11 H new ATOM 0 HG23 THR B 523 44.898 33.145 -36.605 1.00 73.11 H new ATOM 1375 N PRO B 524 46.975 30.738 -34.010 1.00 61.23 N ATOM 1376 CA PRO B 524 48.437 30.771 -34.118 1.00 21.31 C ATOM 1377 C PRO B 524 48.936 30.154 -35.419 1.00 11.10 C ATOM 1378 O PRO B 524 48.475 29.087 -35.828 1.00 65.14 O ATOM 1379 CB PRO B 524 48.900 29.941 -32.919 1.00 71.15 C ATOM 1380 CG PRO B 524 47.761 29.027 -32.628 1.00 14.31 C ATOM 1381 CD PRO B 524 46.515 29.793 -32.978 1.00 21.34 C ATOM 0 HA PRO B 524 48.823 31.790 -34.122 1.00 21.31 H new ATOM 0 HB2 PRO B 524 49.807 29.382 -33.151 1.00 71.15 H new ATOM 0 HB3 PRO B 524 49.127 30.576 -32.062 1.00 71.15 H new ATOM 0 HG2 PRO B 524 47.835 28.112 -33.216 1.00 14.31 H new ATOM 0 HG3 PRO B 524 47.756 28.732 -31.579 1.00 14.31 H new ATOM 0 HD2 PRO B 524 45.732 29.136 -33.355 1.00 21.34 H new ATOM 0 HD3 PRO B 524 46.105 30.312 -32.111 1.00 21.34 H new ATOM 1389 N ASP B 525 49.880 30.828 -36.065 1.00 31.30 N ATOM 1390 CA ASP B 525 50.443 30.344 -37.321 1.00 51.41 C ATOM 1391 C ASP B 525 51.955 30.172 -37.208 1.00 61.44 C ATOM 1392 O ASP B 525 52.722 30.934 -37.796 1.00 70.22 O ATOM 1393 CB ASP B 525 50.111 31.309 -38.459 1.00 53.22 C ATOM 1394 CG ASP B 525 48.731 31.065 -39.041 1.00 74.23 C ATOM 1395 OD1 ASP B 525 48.389 29.889 -39.284 1.00 15.03 O ATOM 1396 OD2 ASP B 525 47.995 32.051 -39.253 1.00 4.21 O1- ATOM 0 H ASP B 525 50.272 31.712 -35.740 1.00 31.30 H new ATOM 0 HA ASP B 525 50.000 29.372 -37.539 1.00 51.41 H new ATOM 0 HB2 ASP B 525 50.171 32.334 -38.092 1.00 53.22 H new ATOM 0 HB3 ASP B 525 50.858 31.208 -39.247 1.00 53.22 H new ATOM 1401 N ALA B 526 52.376 29.167 -36.446 1.00 64.40 N ATOM 1402 CA ALA B 526 53.795 28.896 -36.257 1.00 74.21 C ATOM 1403 C ALA B 526 54.048 27.404 -36.065 1.00 60.43 C ATOM 1404 O ALA B 526 53.125 26.593 -36.148 1.00 3.51 O ATOM 1405 CB ALA B 526 54.329 29.681 -35.067 1.00 22.02 C ATOM 0 H ALA B 526 51.754 28.528 -35.950 1.00 64.40 H new ATOM 0 HA ALA B 526 54.323 29.215 -37.155 1.00 74.21 H new ATOM 0 HB1 ALA B 526 55.390 29.469 -34.938 1.00 22.02 H new ATOM 0 HB2 ALA B 526 54.191 30.748 -35.243 1.00 22.02 H new ATOM 0 HB3 ALA B 526 53.788 29.389 -34.167 1.00 22.02 H new ATOM 1411 N SER B 527 55.303 27.049 -35.809 1.00 22.23 N ATOM 1412 CA SER B 527 55.677 25.655 -35.608 1.00 10.42 C ATOM 1413 C SER B 527 56.503 25.490 -34.337 1.00 55.23 C ATOM 1414 O SER B 527 57.669 25.883 -34.287 1.00 74.31 O ATOM 1415 CB SER B 527 56.466 25.139 -36.814 1.00 54.03 C ATOM 1416 OG SER B 527 57.190 26.186 -37.435 1.00 33.11 O ATOM 0 H SER B 527 56.078 27.708 -35.736 1.00 22.23 H new ATOM 0 HA SER B 527 54.763 25.071 -35.503 1.00 10.42 H new ATOM 0 HB2 SER B 527 57.154 24.356 -36.495 1.00 54.03 H new ATOM 0 HB3 SER B 527 55.783 24.688 -37.534 1.00 54.03 H new ATOM 0 HG SER B 527 57.687 25.830 -38.201 1.00 33.11 H new ATOM 1422 N GLU B 528 55.891 24.907 -33.312 1.00 34.44 N ATOM 1423 CA GLU B 528 56.571 24.691 -32.040 1.00 70.03 C ATOM 1424 C GLU B 528 56.332 23.273 -31.529 1.00 45.40 C ATOM 1425 O GLU B 528 55.391 22.600 -31.950 1.00 23.21 O ATOM 1426 CB GLU B 528 56.090 25.706 -31.001 1.00 24.51 C ATOM 1427 CG GLU B 528 54.652 25.492 -30.558 1.00 63.11 C ATOM 1428 CD GLU B 528 54.022 26.749 -29.992 1.00 25.14 C ATOM 1429 OE1 GLU B 528 53.895 27.738 -30.744 1.00 15.45 O ATOM 1430 OE2 GLU B 528 53.655 26.743 -28.799 1.00 52.05 O1- ATOM 0 H GLU B 528 54.927 24.576 -33.337 1.00 34.44 H new ATOM 0 HA GLU B 528 57.641 24.825 -32.202 1.00 70.03 H new ATOM 0 HB2 GLU B 528 56.741 25.656 -30.128 1.00 24.51 H new ATOM 0 HB3 GLU B 528 56.188 26.710 -31.414 1.00 24.51 H new ATOM 0 HG2 GLU B 528 54.062 25.145 -31.407 1.00 63.11 H new ATOM 0 HG3 GLU B 528 54.621 24.704 -29.805 1.00 63.11 H new ATOM 1437 N SER B 529 57.191 22.825 -30.619 1.00 24.10 N ATOM 1438 CA SER B 529 57.077 21.487 -30.053 1.00 74.23 C ATOM 1439 C SER B 529 56.956 20.439 -31.155 1.00 3.40 C ATOM 1440 O SER B 529 56.322 19.400 -30.974 1.00 61.24 O ATOM 1441 CB SER B 529 55.866 21.404 -29.122 1.00 63.34 C ATOM 1442 OG SER B 529 55.984 20.314 -28.225 1.00 34.34 O ATOM 0 H SER B 529 57.974 23.370 -30.258 1.00 24.10 H new ATOM 0 HA SER B 529 57.982 21.285 -29.480 1.00 74.23 H new ATOM 0 HB2 SER B 529 55.772 22.333 -28.559 1.00 63.34 H new ATOM 0 HB3 SER B 529 54.956 21.296 -29.713 1.00 63.34 H new ATOM 0 HG SER B 529 56.168 19.494 -28.729 1.00 34.34 H new ATOM 1448 N VAL B 530 57.569 20.721 -32.301 1.00 34.03 N ATOM 1449 CA VAL B 530 57.533 19.805 -33.434 1.00 72.15 C ATOM 1450 C VAL B 530 58.727 18.856 -33.412 1.00 13.35 C ATOM 1451 O VAL B 530 59.818 19.226 -32.984 1.00 62.34 O ATOM 1452 CB VAL B 530 57.520 20.567 -34.772 1.00 51.23 C ATOM 1453 CG1 VAL B 530 58.807 21.357 -34.949 1.00 75.24 C ATOM 1454 CG2 VAL B 530 57.313 19.604 -35.931 1.00 2.14 C ATOM 0 H VAL B 530 58.097 21.578 -32.469 1.00 34.03 H new ATOM 0 HA VAL B 530 56.613 19.228 -33.345 1.00 72.15 H new ATOM 0 HB VAL B 530 56.688 21.271 -34.761 1.00 51.23 H new ATOM 0 HG11 VAL B 530 58.780 21.889 -35.900 1.00 75.24 H new ATOM 0 HG12 VAL B 530 58.908 22.075 -34.135 1.00 75.24 H new ATOM 0 HG13 VAL B 530 59.657 20.675 -34.939 1.00 75.24 H new ATOM 0 HG21 VAL B 530 57.306 20.159 -36.869 1.00 2.14 H new ATOM 0 HG22 VAL B 530 58.123 18.874 -35.947 1.00 2.14 H new ATOM 0 HG23 VAL B 530 56.361 19.087 -35.809 1.00 2.14 H new ATOM 1464 N ASN B 531 58.510 17.631 -33.880 1.00 50.32 N ATOM 1465 CA ASN B 531 59.568 16.628 -33.915 1.00 54.32 C ATOM 1466 C ASN B 531 59.954 16.293 -35.353 1.00 34.52 C ATOM 1467 O ASN B 531 59.107 16.280 -36.245 1.00 34.23 O ATOM 1468 CB ASN B 531 59.122 15.360 -33.186 1.00 1.55 C ATOM 1469 CG ASN B 531 58.372 15.664 -31.903 1.00 54.25 C ATOM 1470 OD1 ASN B 531 57.259 15.180 -31.692 1.00 63.14 O ATOM 1471 ND2 ASN B 531 58.979 16.469 -31.039 1.00 21.12 N ATOM 0 H ASN B 531 57.612 17.309 -34.240 1.00 50.32 H new ATOM 0 HA ASN B 531 60.442 17.041 -33.410 1.00 54.32 H new ATOM 0 HB2 ASN B 531 58.485 14.770 -33.845 1.00 1.55 H new ATOM 0 HB3 ASN B 531 59.995 14.749 -32.957 1.00 1.55 H new ATOM 0 HD21 ASN B 531 58.523 16.709 -30.159 1.00 21.12 H new ATOM 0 HD22 ASN B 531 59.901 16.847 -31.255 1.00 21.12 H new ATOM 1478 N ASN B 532 61.236 16.023 -35.568 1.00 22.22 N ATOM 1479 CA ASN B 532 61.734 15.688 -36.897 1.00 1.42 C ATOM 1480 C ASN B 532 62.378 14.305 -36.904 1.00 44.13 C ATOM 1481 O ASN B 532 63.123 13.950 -35.989 1.00 32.50 O ATOM 1482 CB ASN B 532 62.745 16.736 -37.366 1.00 52.44 C ATOM 1483 CG ASN B 532 63.813 17.015 -36.326 1.00 72.53 C ATOM 1484 OD1 ASN B 532 63.551 17.653 -35.306 1.00 72.51 O ATOM 1485 ND2 ASN B 532 65.026 16.535 -36.578 1.00 42.51 N ATOM 0 H ASN B 532 61.950 16.029 -34.839 1.00 22.22 H new ATOM 0 HA ASN B 532 60.887 15.679 -37.583 1.00 1.42 H new ATOM 0 HB2 ASN B 532 63.218 16.394 -38.286 1.00 52.44 H new ATOM 0 HB3 ASN B 532 62.221 17.662 -37.602 1.00 52.44 H new ATOM 0 HD21 ASN B 532 65.784 16.690 -35.913 1.00 42.51 H new ATOM 0 HD22 ASN B 532 65.199 16.011 -37.436 1.00 42.51 H new ATOM 1492 N ILE B 533 62.088 13.528 -37.943 1.00 4.31 N ATOM 1493 CA ILE B 533 62.639 12.185 -38.070 1.00 60.32 C ATOM 1494 C ILE B 533 62.968 11.861 -39.523 1.00 54.13 C ATOM 1495 O ILE B 533 62.812 12.701 -40.409 1.00 12.31 O ATOM 1496 CB ILE B 533 61.667 11.122 -37.525 1.00 51.21 C ATOM 1497 CG1 ILE B 533 60.336 11.185 -38.278 1.00 70.53 C ATOM 1498 CG2 ILE B 533 61.447 11.320 -36.033 1.00 41.24 C ATOM 1499 CD1 ILE B 533 59.351 12.168 -37.684 1.00 11.24 C ATOM 0 H ILE B 533 61.474 13.806 -38.709 1.00 4.31 H new ATOM 0 HA ILE B 533 63.555 12.163 -37.479 1.00 60.32 H new ATOM 0 HB ILE B 533 62.105 10.136 -37.680 1.00 51.21 H new ATOM 0 HG12 ILE B 533 60.528 11.457 -39.316 1.00 70.53 H new ATOM 0 HG13 ILE B 533 59.886 10.192 -38.287 1.00 70.53 H new ATOM 0 HG21 ILE B 533 60.758 10.561 -35.663 1.00 41.24 H new ATOM 0 HG22 ILE B 533 62.399 11.231 -35.510 1.00 41.24 H new ATOM 0 HG23 ILE B 533 61.026 12.310 -35.855 1.00 41.24 H new ATOM 0 HD11 ILE B 533 58.431 12.159 -38.269 1.00 11.24 H new ATOM 0 HD12 ILE B 533 59.130 11.885 -36.655 1.00 11.24 H new ATOM 0 HD13 ILE B 533 59.782 13.169 -37.700 1.00 11.24 H new ATOM 1511 N LEU B 534 63.422 10.635 -39.761 1.00 4.44 N ATOM 1512 CA LEU B 534 63.770 10.197 -41.109 1.00 61.11 C ATOM 1513 C LEU B 534 62.612 10.428 -42.073 1.00 32.54 C ATOM 1514 O LEU B 534 61.510 10.794 -41.662 1.00 62.31 O ATOM 1515 CB LEU B 534 64.155 8.717 -41.101 1.00 2.04 C ATOM 1516 CG LEU B 534 63.003 7.724 -40.950 1.00 60.34 C ATOM 1517 CD1 LEU B 534 63.454 6.320 -41.323 1.00 34.13 C ATOM 1518 CD2 LEU B 534 62.458 7.751 -39.530 1.00 61.30 C ATOM 0 H LEU B 534 63.558 9.927 -39.039 1.00 4.44 H new ATOM 0 HA LEU B 534 64.622 10.786 -41.447 1.00 61.11 H new ATOM 0 HB2 LEU B 534 64.681 8.494 -42.029 1.00 2.04 H new ATOM 0 HB3 LEU B 534 64.861 8.550 -40.287 1.00 2.04 H new ATOM 0 HG LEU B 534 62.204 8.019 -41.630 1.00 60.34 H new ATOM 0 HD11 LEU B 534 62.620 5.628 -41.209 1.00 34.13 H new ATOM 0 HD12 LEU B 534 63.795 6.310 -42.358 1.00 34.13 H new ATOM 0 HD13 LEU B 534 64.271 6.015 -40.669 1.00 34.13 H new ATOM 0 HD21 LEU B 534 61.639 7.038 -39.441 1.00 61.30 H new ATOM 0 HD22 LEU B 534 63.250 7.482 -38.831 1.00 61.30 H new ATOM 0 HD23 LEU B 534 62.094 8.752 -39.299 1.00 61.30 H new ATOM 1530 N LYS B 535 62.866 10.209 -43.359 1.00 14.02 N ATOM 1531 CA LYS B 535 61.845 10.389 -44.383 1.00 64.31 C ATOM 1532 C LYS B 535 60.858 9.227 -44.378 1.00 72.41 C ATOM 1533 O LYS B 535 60.968 8.305 -45.186 1.00 14.31 O ATOM 1534 CB LYS B 535 62.493 10.515 -45.763 1.00 54.24 C ATOM 1535 CG LYS B 535 62.894 11.936 -46.120 1.00 50.42 C ATOM 1536 CD LYS B 535 64.284 12.269 -45.604 1.00 13.13 C ATOM 1537 CE LYS B 535 64.514 13.772 -45.555 1.00 52.33 C ATOM 1538 NZ LYS B 535 65.947 14.106 -45.330 1.00 62.51 N1+ ATOM 0 H LYS B 535 63.772 9.906 -43.717 1.00 14.02 H new ATOM 0 HA LYS B 535 61.300 11.306 -44.159 1.00 64.31 H new ATOM 0 HB2 LYS B 535 63.376 9.877 -45.800 1.00 54.24 H new ATOM 0 HB3 LYS B 535 61.799 10.142 -46.516 1.00 54.24 H new ATOM 0 HG2 LYS B 535 62.867 12.062 -47.202 1.00 50.42 H new ATOM 0 HG3 LYS B 535 62.171 12.636 -45.700 1.00 50.42 H new ATOM 0 HD2 LYS B 535 64.414 11.847 -44.607 1.00 13.13 H new ATOM 0 HD3 LYS B 535 65.033 11.806 -46.247 1.00 13.13 H new ATOM 0 HE2 LYS B 535 64.179 14.221 -46.490 1.00 52.33 H new ATOM 0 HE3 LYS B 535 63.910 14.206 -44.758 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 66.063 15.139 -45.303 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 66.261 13.699 -44.426 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 66.521 13.714 -46.104 1.00 62.51 H new ATOM 1552 N GLN B 536 59.894 9.278 -43.464 1.00 24.12 N ATOM 1553 CA GLN B 536 58.887 8.229 -43.355 1.00 22.34 C ATOM 1554 C GLN B 536 57.535 8.718 -43.860 1.00 62.32 C ATOM 1555 O GLN B 536 56.585 8.852 -43.089 1.00 50.41 O ATOM 1556 CB GLN B 536 58.765 7.760 -41.904 1.00 51.31 C ATOM 1557 CG GLN B 536 58.681 8.898 -40.902 1.00 35.41 C ATOM 1558 CD GLN B 536 58.537 8.409 -39.474 1.00 30.51 C ATOM 1559 OE1 GLN B 536 59.504 7.952 -38.863 1.00 45.21 O ATOM 1560 NE2 GLN B 536 57.328 8.504 -38.933 1.00 61.41 N ATOM 0 H GLN B 536 59.789 10.035 -42.788 1.00 24.12 H new ATOM 0 HA GLN B 536 59.203 7.390 -43.975 1.00 22.34 H new ATOM 0 HB2 GLN B 536 57.877 7.135 -41.806 1.00 51.31 H new ATOM 0 HB3 GLN B 536 59.624 7.135 -41.660 1.00 51.31 H new ATOM 0 HG2 GLN B 536 59.576 9.515 -40.982 1.00 35.41 H new ATOM 0 HG3 GLN B 536 57.832 9.535 -41.151 1.00 35.41 H new ATOM 0 HE21 GLN B 536 56.555 8.889 -39.476 1.00 61.41 H new ATOM 0 HE22 GLN B 536 57.172 8.192 -37.975 1.00 61.41 H new ATOM 1569 N SER B 537 57.454 8.983 -45.161 1.00 14.31 N ATOM 1570 CA SER B 537 56.218 9.462 -45.768 1.00 14.23 C ATOM 1571 C SER B 537 55.089 8.454 -45.571 1.00 74.01 C ATOM 1572 O SER B 537 55.191 7.302 -45.991 1.00 11.11 O ATOM 1573 CB SER B 537 56.427 9.725 -47.261 1.00 13.52 C ATOM 1574 OG SER B 537 57.062 8.624 -47.888 1.00 64.54 O ATOM 0 H SER B 537 58.230 8.874 -45.814 1.00 14.31 H new ATOM 0 HA SER B 537 55.939 10.394 -45.277 1.00 14.23 H new ATOM 0 HB2 SER B 537 55.466 9.915 -47.738 1.00 13.52 H new ATOM 0 HB3 SER B 537 57.032 10.622 -47.394 1.00 13.52 H new ATOM 0 HG SER B 537 56.730 7.789 -47.497 1.00 64.54 H new ATOM 1580 N GLY B 538 54.014 8.897 -44.928 1.00 40.34 N ATOM 1581 CA GLY B 538 52.882 8.022 -44.685 1.00 13.30 C ATOM 1582 C GLY B 538 51.557 8.685 -45.012 1.00 44.23 C ATOM 1583 O GLY B 538 51.323 9.091 -46.149 1.00 4.52 O ATOM 0 H GLY B 538 53.906 9.846 -44.571 1.00 40.34 H new ATOM 0 HA2 GLY B 538 52.990 7.118 -45.284 1.00 13.30 H new ATOM 0 HA3 GLY B 538 52.883 7.714 -43.640 1.00 13.30 H new ATOM 1587 N ALA B 539 50.689 8.791 -44.012 1.00 15.34 N ATOM 1588 CA ALA B 539 49.380 9.407 -44.199 1.00 61.14 C ATOM 1589 C ALA B 539 48.780 9.836 -42.865 1.00 52.01 C ATOM 1590 O ALA B 539 49.284 9.473 -41.801 1.00 53.15 O ATOM 1591 CB ALA B 539 48.443 8.449 -44.918 1.00 63.32 C ATOM 0 H ALA B 539 50.868 8.459 -43.064 1.00 15.34 H new ATOM 0 HA ALA B 539 49.510 10.298 -44.813 1.00 61.14 H new ATOM 0 HB1 ALA B 539 47.470 8.922 -45.050 1.00 63.32 H new ATOM 0 HB2 ALA B 539 48.859 8.196 -45.893 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.327 7.541 -44.326 1.00 63.32 H new ATOM 1597 N TRP B 540 47.703 10.611 -42.927 1.00 64.23 N ATOM 1598 CA TRP B 540 47.036 11.089 -41.723 1.00 74.22 C ATOM 1599 C TRP B 540 45.529 11.191 -41.939 1.00 14.34 C ATOM 1600 O TRP B 540 45.067 11.413 -43.058 1.00 54.13 O ATOM 1601 CB TRP B 540 47.596 12.451 -41.310 1.00 74.04 C ATOM 1602 CG TRP B 540 49.093 12.511 -41.340 1.00 15.41 C ATOM 1603 CD1 TRP B 540 49.881 12.811 -42.415 1.00 11.20 C ATOM 1604 CD2 TRP B 540 49.982 12.262 -40.246 1.00 44.12 C ATOM 1605 NE1 TRP B 540 51.206 12.763 -42.055 1.00 30.21 N ATOM 1606 CE2 TRP B 540 51.295 12.430 -40.729 1.00 22.41 C ATOM 1607 CE3 TRP B 540 49.797 11.916 -38.905 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 52.413 12.262 -39.917 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 50.908 11.750 -38.100 1.00 24.52 C ATOM 1610 CH2 TRP B 540 52.203 11.923 -38.608 1.00 22.11 C ATOM 0 H TRP B 540 47.274 10.921 -43.799 1.00 64.23 H new ATOM 0 HA TRP B 540 47.223 10.370 -40.926 1.00 74.22 H new ATOM 0 HB2 TRP B 540 47.195 13.217 -41.974 1.00 74.04 H new ATOM 0 HB3 TRP B 540 47.250 12.688 -40.304 1.00 74.04 H new ATOM 0 HD1 TRP B 540 49.516 13.051 -43.403 1.00 11.20 H new ATOM 0 HE1 TRP B 540 51.995 12.946 -42.674 1.00 30.21 H new ATOM 0 HE3 TRP B 540 48.803 11.781 -38.505 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 53.412 12.395 -40.307 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 50.776 11.482 -37.062 1.00 24.52 H new ATOM 0 HH2 TRP B 540 53.051 11.786 -37.954 1.00 22.11 H new ATOM 1621 N SER B 541 44.768 11.024 -40.862 1.00 34.54 N ATOM 1622 CA SER B 541 43.314 11.092 -40.935 1.00 2.20 C ATOM 1623 C SER B 541 42.747 11.881 -39.758 1.00 32.22 C ATOM 1624 O SER B 541 41.826 12.681 -39.919 1.00 42.44 O ATOM 1625 CB SER B 541 42.716 9.685 -40.956 1.00 3.02 C ATOM 1626 OG SER B 541 41.385 9.688 -40.467 1.00 54.44 O ATOM 0 H SER B 541 45.135 10.841 -39.928 1.00 34.54 H new ATOM 0 HA SER B 541 43.045 11.606 -41.858 1.00 2.20 H new ATOM 0 HB2 SER B 541 42.732 9.295 -41.974 1.00 3.02 H new ATOM 0 HB3 SER B 541 43.328 9.017 -40.349 1.00 3.02 H new ATOM 0 HG SER B 541 41.025 8.777 -40.492 1.00 54.44 H new ATOM 1632 N GLY B 542 43.305 11.648 -38.574 1.00 4.53 N ATOM 1633 CA GLY B 542 42.843 12.343 -37.386 1.00 64.24 C ATOM 1634 C GLY B 542 41.501 11.832 -36.901 1.00 5.44 C ATOM 1635 O GLY B 542 40.475 12.050 -37.548 1.00 43.23 O ATOM 0 H GLY B 542 44.069 10.991 -38.416 1.00 4.53 H new ATOM 0 HA2 GLY B 542 43.581 12.228 -36.592 1.00 64.24 H new ATOM 0 HA3 GLY B 542 42.767 13.409 -37.599 1.00 64.24 H new ATOM 1639 N ASP B 543 41.506 11.149 -35.761 1.00 11.14 N ATOM 1640 CA ASP B 543 40.280 10.606 -35.190 1.00 52.52 C ATOM 1641 C ASP B 543 39.621 11.616 -34.256 1.00 13.13 C ATOM 1642 O ASP B 543 38.398 11.642 -34.115 1.00 20.02 O ATOM 1643 CB ASP B 543 40.575 9.309 -34.435 1.00 25.25 C ATOM 1644 CG ASP B 543 41.179 8.243 -35.328 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.470 7.267 -35.649 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.362 8.384 -35.704 1.00 51.20 O1- ATOM 0 H ASP B 543 42.346 10.959 -35.215 1.00 11.14 H new ATOM 0 HA ASP B 543 39.591 10.392 -36.007 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.258 9.519 -33.612 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.652 8.930 -33.995 1.00 25.25 H new ATOM 1651 N ASP B 544 40.440 12.444 -33.618 1.00 15.42 N ATOM 1652 CA ASP B 544 39.937 13.456 -32.695 1.00 51.14 C ATOM 1653 C ASP B 544 38.791 14.243 -33.324 1.00 4.23 C ATOM 1654 O ASP B 544 37.877 14.689 -32.630 1.00 2.42 O ATOM 1655 CB ASP B 544 41.062 14.409 -32.287 1.00 73.54 C ATOM 1656 CG ASP B 544 42.318 13.673 -31.861 1.00 21.23 C ATOM 1657 OD1 ASP B 544 42.588 13.617 -30.643 1.00 50.03 O ATOM 1658 OD2 ASP B 544 43.030 13.153 -32.745 1.00 63.43 O1- ATOM 0 H ASP B 544 41.455 12.435 -33.722 1.00 15.42 H new ATOM 0 HA ASP B 544 39.561 12.948 -31.807 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.297 15.069 -33.123 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.719 15.041 -31.468 1.00 73.54 H new ATOM 1663 N LYS B 545 38.847 14.409 -34.641 1.00 75.25 N ATOM 1664 CA LYS B 545 37.815 15.142 -35.364 1.00 24.24 C ATOM 1665 C LYS B 545 36.425 14.644 -34.981 1.00 33.21 C ATOM 1666 O LYS B 545 35.556 15.430 -34.600 1.00 50.14 O ATOM 1667 CB LYS B 545 38.021 14.998 -36.873 1.00 64.44 C ATOM 1668 CG LYS B 545 38.965 16.035 -37.460 1.00 54.23 C ATOM 1669 CD LYS B 545 40.379 15.864 -36.931 1.00 42.41 C ATOM 1670 CE LYS B 545 41.351 16.802 -37.629 1.00 62.41 C ATOM 1671 NZ LYS B 545 41.303 16.651 -39.110 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.597 14.046 -35.230 1.00 75.25 H new ATOM 0 HA LYS B 545 37.893 16.194 -35.091 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.411 14.003 -37.085 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.055 15.074 -37.372 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.969 15.951 -38.547 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.604 17.035 -37.219 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.393 16.056 -35.858 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.700 14.832 -37.075 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.117 17.832 -37.361 1.00 62.41 H new ATOM 0 HE3 LYS B 545 42.363 16.604 -37.277 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.256 16.788 -39.504 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 40.963 15.698 -39.351 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 40.657 17.361 -39.511 1.00 40.23 H new ATOM 1685 N LEU B 546 36.221 13.336 -35.083 1.00 71.42 N ATOM 1686 CA LEU B 546 34.937 12.732 -34.746 1.00 33.24 C ATOM 1687 C LEU B 546 34.903 12.307 -33.281 1.00 5.43 C ATOM 1688 O LEU B 546 33.843 12.289 -32.655 1.00 43.24 O ATOM 1689 CB LEU B 546 34.666 11.525 -35.645 1.00 40.40 C ATOM 1690 CG LEU B 546 35.643 10.355 -35.512 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.178 9.392 -34.431 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.797 9.634 -36.842 1.00 60.44 C ATOM 0 H LEU B 546 36.929 12.672 -35.397 1.00 71.42 H new ATOM 0 HA LEU B 546 34.159 13.479 -34.907 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.661 11.159 -35.434 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.672 11.861 -36.682 1.00 40.40 H new ATOM 0 HG LEU B 546 36.616 10.751 -35.223 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.885 8.566 -34.351 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.122 9.916 -33.477 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.193 9.003 -34.690 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.496 8.805 -36.728 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.828 9.251 -37.162 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.178 10.329 -37.591 1.00 60.44 H new ATOM 1704 N GLN B 547 36.070 11.969 -32.740 1.00 42.22 N ATOM 1705 CA GLN B 547 36.173 11.546 -31.349 1.00 10.14 C ATOM 1706 C GLN B 547 35.502 12.555 -30.423 1.00 64.45 C ATOM 1707 O GLN B 547 34.728 12.185 -29.541 1.00 15.25 O ATOM 1708 CB GLN B 547 37.640 11.370 -30.955 1.00 1.31 C ATOM 1709 CG GLN B 547 37.909 10.104 -30.159 1.00 14.25 C ATOM 1710 CD GLN B 547 39.279 10.102 -29.508 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.292 9.872 -30.170 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.316 10.360 -28.207 1.00 30.11 N ATOM 0 H GLN B 547 36.957 11.980 -33.244 1.00 42.22 H new ATOM 0 HA GLN B 547 35.660 10.590 -31.247 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.251 11.358 -31.858 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.956 12.232 -30.368 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.145 9.995 -29.389 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.823 9.240 -30.818 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.451 10.545 -27.699 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.209 10.373 -27.715 1.00 30.11 H new ATOM 1721 N LYS B 548 35.805 13.833 -30.629 1.00 13.42 N ATOM 1722 CA LYS B 548 35.232 14.896 -29.813 1.00 2.43 C ATOM 1723 C LYS B 548 33.717 14.747 -29.711 1.00 11.31 C ATOM 1724 O LYS B 548 33.156 14.755 -28.616 1.00 25.34 O ATOM 1725 CB LYS B 548 35.582 16.265 -30.403 1.00 44.51 C ATOM 1726 CG LYS B 548 35.279 16.382 -31.887 1.00 74.23 C ATOM 1727 CD LYS B 548 36.179 17.405 -32.560 1.00 50.13 C ATOM 1728 CE LYS B 548 36.013 18.785 -31.944 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.799 19.818 -32.675 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.444 14.157 -31.355 1.00 13.42 H new ATOM 0 HA LYS B 548 35.655 14.820 -28.811 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.029 17.035 -29.866 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.642 16.462 -30.240 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.410 15.411 -32.364 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.236 16.667 -32.025 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.219 17.089 -32.473 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.948 17.450 -33.624 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.958 19.060 -31.949 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.330 18.758 -30.902 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.659 20.745 -32.224 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.808 19.569 -32.649 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.479 19.862 -33.664 1.00 32.25 H new ATOM 1743 N TRP B 549 33.062 14.611 -30.858 1.00 35.00 N ATOM 1744 CA TRP B 549 31.612 14.458 -30.897 1.00 23.03 C ATOM 1745 C TRP B 549 31.173 13.227 -30.112 1.00 60.44 C ATOM 1746 O TRP B 549 30.428 13.333 -29.137 1.00 13.42 O ATOM 1747 CB TRP B 549 31.127 14.356 -32.344 1.00 1.00 C ATOM 1748 CG TRP B 549 31.534 15.525 -33.190 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.720 15.688 -33.847 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.754 16.692 -33.470 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.724 16.889 -34.517 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.530 17.522 -34.303 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.475 17.117 -33.099 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 31.067 18.751 -34.768 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 29.017 18.336 -33.562 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.811 19.141 -34.390 1.00 4.25 C ATOM 0 H TRP B 549 33.512 14.604 -31.774 1.00 35.00 H new ATOM 0 HA TRP B 549 31.167 15.339 -30.434 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.520 13.441 -32.788 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.040 14.273 -32.351 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.534 14.979 -33.841 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.493 17.250 -35.082 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.856 16.503 -32.462 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.678 19.374 -35.404 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 28.030 18.674 -33.281 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.424 20.088 -34.737 1.00 4.25 H new ATOM 1767 N VAL B 550 31.639 12.059 -30.543 1.00 65.43 N ATOM 1768 CA VAL B 550 31.295 10.807 -29.880 1.00 41.32 C ATOM 1769 C VAL B 550 31.571 10.886 -28.382 1.00 70.33 C ATOM 1770 O VAL B 550 30.679 10.660 -27.564 1.00 22.45 O ATOM 1771 CB VAL B 550 32.080 9.623 -30.474 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.662 8.319 -29.811 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.878 9.553 -31.980 1.00 22.45 C ATOM 0 H VAL B 550 32.256 11.954 -31.349 1.00 65.43 H new ATOM 0 HA VAL B 550 30.230 10.644 -30.043 1.00 41.32 H new ATOM 0 HB VAL B 550 33.141 9.778 -30.279 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.227 7.493 -30.244 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.862 8.374 -28.741 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.597 8.154 -29.973 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.440 8.711 -32.384 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.818 9.421 -32.199 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.231 10.477 -32.438 1.00 22.45 H new ATOM 1783 N ARG B 551 32.811 11.206 -28.030 1.00 22.31 N ATOM 1784 CA ARG B 551 33.205 11.313 -26.631 1.00 13.54 C ATOM 1785 C ARG B 551 32.167 12.094 -25.832 1.00 30.45 C ATOM 1786 O ARG B 551 31.818 11.719 -24.713 1.00 43.25 O ATOM 1787 CB ARG B 551 34.571 11.993 -26.514 1.00 20.34 C ATOM 1788 CG ARG B 551 35.341 11.604 -25.263 1.00 75.53 C ATOM 1789 CD ARG B 551 35.063 12.564 -24.117 1.00 51.12 C ATOM 1790 NE ARG B 551 36.211 12.699 -23.225 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.227 13.495 -22.162 1.00 23.44 C ATOM 1792 NH1 ARG B 551 35.161 14.223 -21.859 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.311 13.564 -21.399 1.00 20.42 N ATOM 0 H ARG B 551 33.561 11.396 -28.695 1.00 22.31 H new ATOM 0 HA ARG B 551 33.272 10.305 -26.221 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.168 11.742 -27.391 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.431 13.074 -26.523 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.067 10.592 -24.966 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.409 11.594 -25.480 1.00 75.53 H new ATOM 0 HD2 ARG B 551 34.800 13.542 -24.519 1.00 51.12 H new ATOM 0 HD3 ARG B 551 34.202 12.211 -23.549 1.00 51.12 H new ATOM 0 HE ARG B 551 37.047 12.152 -23.430 1.00 55.05 H new ATOM 0 HH11 ARG B 551 34.326 14.172 -22.443 1.00 74.33 H new ATOM 0 HH12 ARG B 551 35.176 14.834 -21.042 1.00 74.33 H new ATOM 0 HH21 ARG B 551 38.133 13.005 -21.629 1.00 20.42 H new ATOM 0 HH22 ARG B 551 37.322 14.176 -20.583 1.00 20.42 H new ATOM 1807 N VAL B 552 31.676 13.184 -26.414 1.00 73.21 N ATOM 1808 CA VAL B 552 30.677 14.018 -25.757 1.00 53.54 C ATOM 1809 C VAL B 552 29.338 13.295 -25.656 1.00 31.11 C ATOM 1810 O VAL B 552 28.639 13.400 -24.648 1.00 31.43 O ATOM 1811 CB VAL B 552 30.474 15.348 -26.509 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.355 16.156 -25.870 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.769 16.144 -26.539 1.00 14.55 C ATOM 0 H VAL B 552 31.954 13.510 -27.340 1.00 73.21 H new ATOM 0 HA VAL B 552 31.050 14.229 -24.755 1.00 53.54 H new ATOM 0 HB VAL B 552 30.187 15.126 -27.537 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.226 17.092 -26.414 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.428 15.584 -25.905 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.609 16.372 -24.832 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.608 17.080 -27.074 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.088 16.359 -25.519 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.541 15.565 -27.046 1.00 14.55 H new ATOM 1823 N TYR B 553 28.987 12.561 -26.706 1.00 3.04 N ATOM 1824 CA TYR B 553 27.731 11.821 -26.736 1.00 51.43 C ATOM 1825 C TYR B 553 27.653 10.832 -25.576 1.00 23.41 C ATOM 1826 O TYR B 553 26.634 10.742 -24.889 1.00 65.22 O ATOM 1827 CB TYR B 553 27.585 11.077 -28.064 1.00 50.50 C ATOM 1828 CG TYR B 553 27.255 9.611 -27.904 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.957 9.197 -27.631 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.241 8.639 -28.025 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.651 7.857 -27.483 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.944 7.298 -27.880 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.647 6.912 -27.610 1.00 52.22 C ATOM 1834 OH TYR B 553 26.348 5.577 -27.463 1.00 2.33 O ATOM 0 H TYR B 553 29.555 12.463 -27.548 1.00 3.04 H new ATOM 0 HA TYR B 553 26.915 12.537 -26.636 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.803 11.554 -28.654 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.513 11.172 -28.628 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.174 9.934 -27.533 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.257 8.938 -28.236 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.637 7.552 -27.269 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.722 6.556 -27.977 1.00 34.42 H new ATOM 0 HH TYR B 553 27.162 5.044 -27.584 1.00 2.33 H new ATOM 1844 N LEU B 554 28.737 10.094 -25.364 1.00 55.44 N ATOM 1845 CA LEU B 554 28.792 9.112 -24.286 1.00 42.23 C ATOM 1846 C LEU B 554 29.081 9.786 -22.949 1.00 53.42 C ATOM 1847 O LEU B 554 28.694 9.283 -21.893 1.00 74.44 O ATOM 1848 CB LEU B 554 29.866 8.062 -24.583 1.00 44.44 C ATOM 1849 CG LEU B 554 31.245 8.602 -24.964 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.222 8.434 -23.811 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.764 7.902 -26.211 1.00 32.42 C ATOM 0 H LEU B 554 29.588 10.156 -25.923 1.00 55.44 H new ATOM 0 HA LEU B 554 27.820 8.623 -24.222 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.977 7.426 -23.705 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.510 7.426 -25.394 1.00 44.44 H new ATOM 0 HG LEU B 554 31.151 9.666 -25.180 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.198 8.824 -24.101 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.856 8.981 -22.942 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.313 7.377 -23.562 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.746 8.298 -26.468 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.843 6.832 -26.021 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.075 8.074 -27.038 1.00 32.42 H new ATOM 1863 N ASP B 555 29.758 10.927 -23.001 1.00 73.25 N ATOM 1864 CA ASP B 555 30.094 11.673 -21.794 1.00 31.31 C ATOM 1865 C ASP B 555 28.858 12.349 -21.211 1.00 23.23 C ATOM 1866 O ASP B 555 28.736 12.502 -19.995 1.00 34.14 O ATOM 1867 CB ASP B 555 31.168 12.720 -22.098 1.00 72.13 C ATOM 1868 CG ASP B 555 31.557 13.523 -20.872 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.698 13.358 -20.393 1.00 34.15 O ATOM 1870 OD2 ASP B 555 30.719 14.316 -20.393 1.00 21.01 O1- ATOM 0 H ASP B 555 30.085 11.356 -23.867 1.00 73.25 H new ATOM 0 HA ASP B 555 30.482 10.969 -21.058 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.052 12.224 -22.499 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.803 13.396 -22.871 1.00 72.13 H new ATOM 1875 N ARG B 556 27.942 12.754 -22.085 1.00 10.54 N ATOM 1876 CA ARG B 556 26.716 13.415 -21.658 1.00 54.44 C ATOM 1877 C ARG B 556 25.605 12.398 -21.413 1.00 72.41 C ATOM 1878 O ARG B 556 24.753 12.589 -20.547 1.00 3.24 O ATOM 1879 CB ARG B 556 26.267 14.434 -22.707 1.00 35.13 C ATOM 1880 CG ARG B 556 25.951 13.816 -24.059 1.00 22.30 C ATOM 1881 CD ARG B 556 24.460 13.560 -24.219 1.00 71.10 C ATOM 1882 NE ARG B 556 24.192 12.353 -24.997 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.055 12.137 -25.649 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.086 13.041 -25.617 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.886 11.014 -26.335 1.00 21.52 N ATOM 0 H ARG B 556 28.027 12.635 -23.095 1.00 10.54 H new ATOM 0 HA ARG B 556 26.922 13.934 -20.722 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.383 14.956 -22.340 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.049 15.182 -22.833 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.295 14.479 -24.853 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.496 12.878 -24.168 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.001 13.466 -23.235 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.995 14.417 -24.707 1.00 71.10 H new ATOM 0 HE ARG B 556 24.917 11.637 -25.042 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.212 13.906 -25.091 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.214 12.872 -26.119 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.629 10.316 -26.362 1.00 21.52 H new ATOM 0 HH22 ARG B 556 22.013 10.849 -26.835 1.00 21.52 H new ATOM 1899 N GLY B 557 25.622 11.315 -22.185 1.00 54.40 N ATOM 1900 CA GLY B 557 24.612 10.284 -22.039 1.00 51.20 C ATOM 1901 C GLY B 557 24.676 9.598 -20.688 1.00 73.35 C ATOM 1902 O GLY B 557 23.799 9.790 -19.846 1.00 64.24 O ATOM 0 H GLY B 557 26.318 11.134 -22.909 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.624 10.725 -22.173 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.739 9.541 -22.827 1.00 51.20 H new ATOM 1906 N GLN B 558 25.714 8.795 -20.482 1.00 30.44 N ATOM 1907 CA GLN B 558 25.887 8.077 -19.224 1.00 71.33 C ATOM 1908 C GLN B 558 27.308 8.239 -18.695 1.00 54.22 C ATOM 1909 O GLN B 558 27.543 8.974 -17.736 1.00 65.12 O ATOM 1910 CB GLN B 558 25.566 6.594 -19.412 1.00 32.20 C ATOM 1911 CG GLN B 558 25.759 6.106 -20.839 1.00 10.50 C ATOM 1912 CD GLN B 558 24.501 6.235 -21.675 1.00 44.43 C ATOM 1913 OE1 GLN B 558 24.466 6.982 -22.653 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.458 5.507 -21.294 1.00 2.10 N ATOM 0 H GLN B 558 26.448 8.625 -21.169 1.00 30.44 H new ATOM 0 HA GLN B 558 25.197 8.502 -18.494 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.199 6.007 -18.747 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.534 6.413 -19.111 1.00 32.20 H new ATOM 0 HG2 GLN B 558 26.562 6.675 -21.308 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.074 5.063 -20.823 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.530 4.901 -20.477 1.00 2.10 H new ATOM 0 HE22 GLN B 558 22.584 5.554 -21.818 1.00 2.10 H new ATOM 1923 N GLU B 559 28.252 7.549 -19.327 1.00 54.14 N ATOM 1924 CA GLU B 559 29.650 7.616 -18.918 1.00 64.14 C ATOM 1925 C GLU B 559 30.569 7.148 -20.043 1.00 45.44 C ATOM 1926 O GLU B 559 30.119 6.886 -21.158 1.00 54.24 O ATOM 1927 CB GLU B 559 29.880 6.764 -17.669 1.00 42.30 C ATOM 1928 CG GLU B 559 29.509 5.302 -17.851 1.00 15.30 C ATOM 1929 CD GLU B 559 28.953 4.678 -16.586 1.00 15.40 C ATOM 1930 OE1 GLU B 559 29.458 3.613 -16.177 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.010 5.257 -16.006 1.00 61.43 O1- ATOM 0 H GLU B 559 28.074 6.938 -20.124 1.00 54.14 H new ATOM 0 HA GLU B 559 29.886 8.655 -18.688 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.930 6.831 -17.383 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.298 7.178 -16.845 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.771 5.215 -18.649 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.390 4.745 -18.169 1.00 15.30 H new ATOM 1938 N ALA B 560 31.860 7.047 -19.740 1.00 3.04 N ATOM 1939 CA ALA B 560 32.842 6.609 -20.725 1.00 50.04 C ATOM 1940 C ALA B 560 32.509 5.218 -21.252 1.00 31.25 C ATOM 1941 O ALA B 560 31.804 4.448 -20.598 1.00 10.24 O ATOM 1942 CB ALA B 560 34.238 6.625 -20.120 1.00 41.05 C ATOM 0 H ALA B 560 32.249 7.262 -18.822 1.00 3.04 H new ATOM 0 HA ALA B 560 32.812 7.303 -21.565 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.962 6.296 -20.866 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.483 7.637 -19.798 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.270 5.954 -19.262 1.00 41.05 H new ATOM 1948 N ILE B 561 33.018 4.902 -22.438 1.00 73.03 N ATOM 1949 CA ILE B 561 32.774 3.603 -23.053 1.00 2.23 C ATOM 1950 C ILE B 561 33.910 3.219 -23.994 1.00 30.44 C ATOM 1951 O ILE B 561 34.379 4.036 -24.787 1.00 42.35 O ATOM 1952 CB ILE B 561 31.448 3.591 -23.835 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.344 4.831 -24.725 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.267 3.520 -22.877 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.172 4.794 -25.681 1.00 63.22 C ATOM 0 H ILE B 561 33.602 5.528 -22.992 1.00 73.03 H new ATOM 0 HA ILE B 561 32.715 2.876 -22.243 1.00 2.23 H new ATOM 0 HB ILE B 561 31.428 2.707 -24.472 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.259 5.715 -24.093 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.266 4.936 -25.297 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.337 3.512 -23.446 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.336 2.610 -22.282 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.281 4.387 -22.217 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.162 5.705 -26.279 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.265 3.929 -26.338 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.243 4.721 -25.115 1.00 63.22 H new ATOM 1967 N LYS B 562 34.349 1.968 -23.903 1.00 34.53 N ATOM 1968 CA LYS B 562 35.429 1.471 -24.748 1.00 5.33 C ATOM 1969 C LYS B 562 35.076 0.108 -25.336 1.00 3.44 C ATOM 1970 O LYS B 562 34.866 -0.023 -26.542 1.00 74.43 O ATOM 1971 CB LYS B 562 36.727 1.372 -23.945 1.00 55.54 C ATOM 1972 CG LYS B 562 36.648 0.403 -22.778 1.00 23.25 C ATOM 1973 CD LYS B 562 37.998 0.233 -22.101 1.00 61.12 C ATOM 1974 CE LYS B 562 37.989 -0.934 -21.125 1.00 62.12 C ATOM 1975 NZ LYS B 562 37.287 -0.591 -19.858 1.00 35.51 N1+ ATOM 0 H LYS B 562 33.973 1.279 -23.252 1.00 34.53 H new ATOM 0 HA LYS B 562 35.569 2.175 -25.568 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.533 1.062 -24.610 1.00 55.54 H new ATOM 0 HB3 LYS B 562 36.988 2.361 -23.568 1.00 55.54 H new ATOM 0 HG2 LYS B 562 35.919 0.765 -22.053 1.00 23.25 H new ATOM 0 HG3 LYS B 562 36.293 -0.565 -23.131 1.00 23.25 H new ATOM 0 HD2 LYS B 562 38.767 0.071 -22.856 1.00 61.12 H new ATOM 0 HD3 LYS B 562 38.259 1.149 -21.572 1.00 61.12 H new ATOM 0 HE2 LYS B 562 37.502 -1.792 -21.589 1.00 62.12 H new ATOM 0 HE3 LYS B 562 39.014 -1.230 -20.904 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 37.302 -1.412 -19.219 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 37.766 0.212 -19.402 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 36.301 -0.333 -20.066 1.00 35.51 H new TER 1989 LYS B 562