USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 98 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 101 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.072) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 26 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.93) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0196 F(o=-2.3!,f=-0.02) USER MOD Single : A 34 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.11) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 0.922 (180deg=0.599) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 0.0519 (180deg=-0.0207) USER MOD Single : A 50 TYR OH : rot 6:sc= 1.27 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000627) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -143:sc= 0.268 USER MOD Single : A 71 SER OG : rot 74:sc= 1.23 USER MOD Single : A 73 SER OG : rot -96:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -36:sc= 0.795 USER MOD Single : A 80 GLN : amide:sc= -0.0582 K(o=-0.058,f=-6.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0993 K(o=-0.099,f=-0.85) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 113 TYR OH : rot -17:sc= 0.795 USER MOD Single : A 115 ASN : amide:sc=-0.00238 X(o=-0.0024,f=-0.44) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -60:sc= 0.044 USER MOD Single : A 119 GLN : amide:sc=-0.00881 X(o=-0.0088,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 0.487 (180deg=0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.851 -3.463 19.150 1.00 75.42 N ATOM 2 CA GLY A 1 17.943 -4.068 18.169 1.00 3.41 C ATOM 3 C GLY A 1 18.738 -4.636 17.018 1.00 44.45 C ATOM 4 O GLY A 1 19.884 -4.237 16.795 1.00 64.01 O ATOM 0 H1 GLY A 1 18.826 -4.014 20.032 1.00 75.42 H new ATOM 0 H2 GLY A 1 19.819 -3.460 18.771 1.00 75.42 H new ATOM 0 H3 GLY A 1 18.552 -2.486 19.344 1.00 75.42 H new ATOM 0 HA2 GLY A 1 17.356 -4.856 18.641 1.00 3.41 H new ATOM 0 HA3 GLY A 1 17.239 -3.321 17.803 1.00 3.41 H new ATOM 8 N SER A 2 18.145 -5.559 16.270 1.00 35.03 N ATOM 9 CA SER A 2 18.762 -6.208 15.131 1.00 62.30 C ATOM 10 C SER A 2 17.679 -6.622 14.139 1.00 72.42 C ATOM 11 O SER A 2 16.495 -6.678 14.484 1.00 72.25 O ATOM 12 CB SER A 2 19.558 -7.423 15.626 1.00 25.31 C ATOM 13 OG SER A 2 18.749 -8.305 16.383 1.00 3.01 O ATOM 0 H SER A 2 17.194 -5.882 16.449 1.00 35.03 H new ATOM 0 HA SER A 2 19.445 -5.527 14.623 1.00 62.30 H new ATOM 0 HB2 SER A 2 19.978 -7.956 14.773 1.00 25.31 H new ATOM 0 HB3 SER A 2 20.397 -7.085 16.235 1.00 25.31 H new ATOM 0 HG SER A 2 19.287 -9.068 16.681 1.00 3.01 H new ATOM 19 N ASN A 3 18.077 -6.907 12.900 1.00 71.41 N ATOM 20 CA ASN A 3 17.155 -7.342 11.860 1.00 61.44 C ATOM 21 C ASN A 3 17.013 -8.849 12.000 1.00 13.11 C ATOM 22 O ASN A 3 15.952 -9.326 12.390 1.00 34.20 O ATOM 23 CB ASN A 3 17.638 -6.930 10.463 1.00 2.04 C ATOM 24 CG ASN A 3 17.412 -5.448 10.246 1.00 2.11 C ATOM 25 OD1 ASN A 3 18.343 -4.664 10.393 1.00 3.52 O ATOM 26 ND2 ASN A 3 16.188 -5.040 9.975 1.00 32.21 N ATOM 0 H ASN A 3 19.047 -6.842 12.592 1.00 71.41 H new ATOM 0 HA ASN A 3 16.184 -6.860 11.978 1.00 61.44 H new ATOM 0 HB2 ASN A 3 18.697 -7.163 10.353 1.00 2.04 H new ATOM 0 HB3 ASN A 3 17.105 -7.501 9.703 1.00 2.04 H new ATOM 0 HD21 ASN A 3 15.992 -4.043 9.881 1.00 32.21 H new ATOM 0 HD22 ASN A 3 15.437 -5.721 9.859 1.00 32.21 H new ATOM 33 N GLN A 4 18.090 -9.600 11.730 1.00 45.10 N ATOM 34 CA GLN A 4 18.160 -11.066 11.797 1.00 34.42 C ATOM 35 C GLN A 4 17.197 -11.765 10.812 1.00 5.00 C ATOM 36 O GLN A 4 17.099 -12.994 10.776 1.00 71.34 O ATOM 37 CB GLN A 4 18.011 -11.540 13.258 1.00 43.55 C ATOM 38 CG GLN A 4 18.796 -12.832 13.528 1.00 22.23 C ATOM 39 CD GLN A 4 18.666 -13.305 14.973 1.00 30.32 C ATOM 40 OE1 GLN A 4 18.759 -12.526 15.921 1.00 4.31 O ATOM 41 NE2 GLN A 4 18.429 -14.586 15.186 1.00 32.13 N ATOM 0 H GLN A 4 18.976 -9.183 11.446 1.00 45.10 H new ATOM 0 HA GLN A 4 19.149 -11.373 11.457 1.00 34.42 H new ATOM 0 HB2 GLN A 4 18.360 -10.757 13.930 1.00 43.55 H new ATOM 0 HB3 GLN A 4 16.956 -11.704 13.480 1.00 43.55 H new ATOM 0 HG2 GLN A 4 18.440 -13.616 12.859 1.00 22.23 H new ATOM 0 HG3 GLN A 4 19.848 -12.669 13.296 1.00 22.23 H new ATOM 0 HE21 GLN A 4 18.353 -15.229 14.397 1.00 32.13 H new ATOM 0 HE22 GLN A 4 18.322 -14.933 16.139 1.00 32.13 H new ATOM 50 N GLN A 5 16.479 -10.981 10.013 1.00 2.04 N ATOM 51 CA GLN A 5 15.532 -11.361 8.987 1.00 13.44 C ATOM 52 C GLN A 5 16.087 -10.832 7.665 1.00 10.55 C ATOM 53 O GLN A 5 17.131 -10.169 7.640 1.00 71.35 O ATOM 54 CB GLN A 5 14.131 -10.822 9.320 1.00 22.51 C ATOM 55 CG GLN A 5 13.203 -11.935 9.813 1.00 3.10 C ATOM 56 CD GLN A 5 13.439 -12.315 11.274 1.00 41.54 C ATOM 57 OE1 GLN A 5 12.983 -11.635 12.190 1.00 42.03 O ATOM 58 NE2 GLN A 5 14.106 -13.418 11.556 1.00 43.31 N ATOM 0 H GLN A 5 16.559 -9.966 10.080 1.00 2.04 H new ATOM 0 HA GLN A 5 15.412 -12.442 8.919 1.00 13.44 H new ATOM 0 HB2 GLN A 5 14.210 -10.048 10.084 1.00 22.51 H new ATOM 0 HB3 GLN A 5 13.701 -10.354 8.435 1.00 22.51 H new ATOM 0 HG2 GLN A 5 12.168 -11.617 9.690 1.00 3.10 H new ATOM 0 HG3 GLN A 5 13.341 -12.817 9.188 1.00 3.10 H new ATOM 0 HE21 GLN A 5 14.488 -13.989 10.803 1.00 43.31 H new ATOM 0 HE22 GLN A 5 14.239 -13.699 12.527 1.00 43.31 H new ATOM 67 N LEU A 6 15.412 -11.145 6.561 1.00 60.12 N ATOM 68 CA LEU A 6 15.860 -10.739 5.238 1.00 42.54 C ATOM 69 C LEU A 6 15.239 -9.434 4.760 1.00 35.20 C ATOM 70 O LEU A 6 15.778 -8.859 3.823 1.00 12.04 O ATOM 71 CB LEU A 6 15.620 -11.881 4.238 1.00 14.24 C ATOM 72 CG LEU A 6 16.496 -13.105 4.582 1.00 50.23 C ATOM 73 CD1 LEU A 6 15.790 -14.144 5.459 1.00 62.33 C ATOM 74 CD2 LEU A 6 16.917 -13.805 3.294 1.00 64.13 C ATOM 0 H LEU A 6 14.546 -11.683 6.561 1.00 60.12 H new ATOM 0 HA LEU A 6 16.929 -10.537 5.306 1.00 42.54 H new ATOM 0 HB2 LEU A 6 14.568 -12.166 4.251 1.00 14.24 H new ATOM 0 HB3 LEU A 6 15.846 -11.539 3.228 1.00 14.24 H new ATOM 0 HG LEU A 6 17.347 -12.716 5.142 1.00 50.23 H new ATOM 0 HD11 LEU A 6 16.468 -14.974 5.658 1.00 62.33 H new ATOM 0 HD12 LEU A 6 15.494 -13.684 6.401 1.00 62.33 H new ATOM 0 HD13 LEU A 6 14.905 -14.515 4.942 1.00 62.33 H new ATOM 0 HD21 LEU A 6 17.536 -14.669 3.535 1.00 64.13 H new ATOM 0 HD22 LEU A 6 16.030 -14.133 2.752 1.00 64.13 H new ATOM 0 HD23 LEU A 6 17.486 -13.113 2.673 1.00 64.13 H new ATOM 86 N ASN A 7 14.117 -8.995 5.322 1.00 52.30 N ATOM 87 CA ASN A 7 13.386 -7.765 5.028 1.00 1.53 C ATOM 88 C ASN A 7 12.196 -7.786 5.984 1.00 41.04 C ATOM 89 O ASN A 7 12.349 -7.455 7.155 1.00 34.03 O ATOM 90 CB ASN A 7 12.957 -7.608 3.544 1.00 35.13 C ATOM 91 CG ASN A 7 13.909 -6.750 2.721 1.00 71.35 C ATOM 92 OD1 ASN A 7 14.003 -5.545 2.906 1.00 23.23 O ATOM 93 ND2 ASN A 7 14.601 -7.324 1.749 1.00 71.12 N ATOM 0 H ASN A 7 13.657 -9.534 6.055 1.00 52.30 H new ATOM 0 HA ASN A 7 14.026 -6.895 5.176 1.00 1.53 H new ATOM 0 HB2 ASN A 7 12.886 -8.596 3.089 1.00 35.13 H new ATOM 0 HB3 ASN A 7 11.961 -7.168 3.507 1.00 35.13 H new ATOM 0 HD21 ASN A 7 15.211 -6.761 1.156 1.00 71.12 H new ATOM 0 HD22 ASN A 7 14.524 -8.329 1.593 1.00 71.12 H new ATOM 100 N ALA A 8 11.054 -8.297 5.505 1.00 74.50 N ATOM 101 CA ALA A 8 9.809 -8.372 6.246 1.00 44.33 C ATOM 102 C ALA A 8 9.838 -9.285 7.470 1.00 2.03 C ATOM 103 O ALA A 8 10.141 -8.838 8.568 1.00 41.33 O ATOM 104 CB ALA A 8 8.656 -8.719 5.293 1.00 73.43 C ATOM 0 H ALA A 8 10.979 -8.678 4.562 1.00 74.50 H new ATOM 0 HA ALA A 8 9.647 -7.381 6.670 1.00 44.33 H new ATOM 0 HB1 ALA A 8 7.724 -8.774 5.855 1.00 73.43 H new ATOM 0 HB2 ALA A 8 8.573 -7.948 4.527 1.00 73.43 H new ATOM 0 HB3 ALA A 8 8.852 -9.681 4.820 1.00 73.43 H new ATOM 110 N THR A 9 9.412 -10.541 7.325 1.00 72.23 N ATOM 111 CA THR A 9 9.356 -11.514 8.413 1.00 13.42 C ATOM 112 C THR A 9 9.327 -12.934 7.848 1.00 71.31 C ATOM 113 O THR A 9 10.312 -13.659 7.958 1.00 32.42 O ATOM 114 CB THR A 9 8.120 -11.268 9.309 1.00 3.43 C ATOM 115 OG1 THR A 9 7.028 -10.763 8.549 1.00 72.34 O ATOM 116 CG2 THR A 9 8.349 -10.330 10.489 1.00 0.53 C ATOM 0 H THR A 9 9.091 -10.915 6.432 1.00 72.23 H new ATOM 0 HA THR A 9 10.249 -11.395 9.026 1.00 13.42 H new ATOM 0 HB THR A 9 7.899 -12.253 9.721 1.00 3.43 H new ATOM 0 HG1 THR A 9 6.259 -10.618 9.138 1.00 72.34 H new ATOM 0 HG21 THR A 9 7.423 -10.223 11.054 1.00 0.53 H new ATOM 0 HG22 THR A 9 9.124 -10.742 11.136 1.00 0.53 H new ATOM 0 HG23 THR A 9 8.664 -9.353 10.122 1.00 0.53 H new ATOM 124 N LYS A 10 8.190 -13.325 7.250 1.00 23.35 N ATOM 125 CA LYS A 10 7.989 -14.654 6.661 1.00 10.32 C ATOM 126 C LYS A 10 7.211 -14.662 5.350 1.00 22.11 C ATOM 127 O LYS A 10 7.286 -15.643 4.611 1.00 34.12 O ATOM 128 CB LYS A 10 7.243 -15.588 7.646 1.00 24.32 C ATOM 129 CG LYS A 10 5.786 -15.200 7.989 1.00 53.13 C ATOM 130 CD LYS A 10 5.587 -14.460 9.311 1.00 1.12 C ATOM 131 CE LYS A 10 5.383 -15.464 10.448 1.00 14.30 C ATOM 132 NZ LYS A 10 4.918 -14.796 11.677 1.00 72.33 N ATOM 0 H LYS A 10 7.376 -12.717 7.162 1.00 23.35 H new ATOM 0 HA LYS A 10 8.999 -15.005 6.451 1.00 10.32 H new ATOM 0 HB2 LYS A 10 7.239 -16.594 7.227 1.00 24.32 H new ATOM 0 HB3 LYS A 10 7.813 -15.631 8.574 1.00 24.32 H new ATOM 0 HG2 LYS A 10 5.397 -14.577 7.184 1.00 53.13 H new ATOM 0 HG3 LYS A 10 5.183 -16.108 8.009 1.00 53.13 H new ATOM 0 HD2 LYS A 10 6.454 -13.833 9.520 1.00 1.12 H new ATOM 0 HD3 LYS A 10 4.724 -13.798 9.240 1.00 1.12 H new ATOM 0 HE2 LYS A 10 4.656 -16.218 10.144 1.00 14.30 H new ATOM 0 HE3 LYS A 10 6.319 -15.986 10.647 1.00 14.30 H new ATOM 0 HZ1 LYS A 10 4.789 -15.503 12.429 1.00 72.33 H new ATOM 0 HZ2 LYS A 10 5.624 -14.094 11.979 1.00 72.33 H new ATOM 0 HZ3 LYS A 10 4.013 -14.319 11.492 1.00 72.33 H new ATOM 146 N LYS A 11 6.415 -13.622 5.079 1.00 73.41 N ATOM 147 CA LYS A 11 5.593 -13.578 3.878 1.00 44.30 C ATOM 148 C LYS A 11 6.287 -12.851 2.747 1.00 34.54 C ATOM 149 O LYS A 11 6.739 -11.722 2.910 1.00 11.30 O ATOM 150 CB LYS A 11 4.239 -12.923 4.172 1.00 74.13 C ATOM 151 CG LYS A 11 3.520 -13.546 5.382 1.00 21.55 C ATOM 152 CD LYS A 11 2.001 -13.420 5.277 1.00 52.30 C ATOM 153 CE LYS A 11 1.495 -14.475 4.292 1.00 63.44 C ATOM 154 NZ LYS A 11 0.023 -14.477 4.149 1.00 4.22 N ATOM 0 H LYS A 11 6.327 -12.802 5.679 1.00 73.41 H new ATOM 0 HA LYS A 11 5.429 -14.608 3.562 1.00 44.30 H new ATOM 0 HB2 LYS A 11 4.388 -11.859 4.353 1.00 74.13 H new ATOM 0 HB3 LYS A 11 3.601 -13.010 3.293 1.00 74.13 H new ATOM 0 HG2 LYS A 11 3.791 -14.599 5.461 1.00 21.55 H new ATOM 0 HG3 LYS A 11 3.861 -13.059 6.296 1.00 21.55 H new ATOM 0 HD2 LYS A 11 1.540 -13.562 6.255 1.00 52.30 H new ATOM 0 HD3 LYS A 11 1.726 -12.421 4.937 1.00 52.30 H new ATOM 0 HE2 LYS A 11 1.949 -14.300 3.316 1.00 63.44 H new ATOM 0 HE3 LYS A 11 1.823 -15.460 4.624 1.00 63.44 H new ATOM 0 HZ1 LYS A 11 -0.259 -15.212 3.469 1.00 4.22 H new ATOM 0 HZ2 LYS A 11 -0.415 -14.672 5.072 1.00 4.22 H new ATOM 0 HZ3 LYS A 11 -0.294 -13.548 3.805 1.00 4.22 H new ATOM 168 N ASP A 12 6.237 -13.469 1.579 1.00 61.54 N ATOM 169 CA ASP A 12 6.800 -12.997 0.319 1.00 74.41 C ATOM 170 C ASP A 12 6.045 -11.731 -0.090 1.00 41.25 C ATOM 171 O ASP A 12 6.608 -10.804 -0.669 1.00 0.41 O ATOM 172 CB ASP A 12 6.711 -14.080 -0.786 1.00 22.12 C ATOM 173 CG ASP A 12 6.172 -15.454 -0.359 1.00 43.33 C ATOM 174 OD1 ASP A 12 6.894 -16.463 -0.529 1.00 41.05 O ATOM 175 OD2 ASP A 12 5.027 -15.510 0.162 1.00 71.11 O ATOM 0 H ASP A 12 5.773 -14.372 1.476 1.00 61.54 H new ATOM 0 HA ASP A 12 7.859 -12.777 0.451 1.00 74.41 H new ATOM 0 HB2 ASP A 12 6.077 -13.699 -1.587 1.00 22.12 H new ATOM 0 HB3 ASP A 12 7.707 -14.220 -1.207 1.00 22.12 H new ATOM 180 N LYS A 13 4.745 -11.672 0.213 1.00 74.04 N ATOM 181 CA LYS A 13 3.892 -10.530 -0.073 1.00 73.43 C ATOM 182 C LYS A 13 4.332 -9.345 0.786 1.00 42.23 C ATOM 183 O LYS A 13 4.376 -8.228 0.291 1.00 10.12 O ATOM 184 CB LYS A 13 2.428 -10.907 0.194 1.00 4.32 C ATOM 185 CG LYS A 13 1.891 -12.020 -0.729 1.00 33.24 C ATOM 186 CD LYS A 13 1.675 -11.569 -2.186 1.00 73.54 C ATOM 187 CE LYS A 13 2.846 -11.894 -3.130 1.00 3.14 C ATOM 188 NZ LYS A 13 2.756 -13.252 -3.711 1.00 52.11 N ATOM 0 H LYS A 13 4.252 -12.437 0.674 1.00 74.04 H new ATOM 0 HA LYS A 13 3.981 -10.243 -1.121 1.00 73.43 H new ATOM 0 HB2 LYS A 13 2.329 -11.229 1.231 1.00 4.32 H new ATOM 0 HB3 LYS A 13 1.807 -10.019 0.076 1.00 4.32 H new ATOM 0 HG2 LYS A 13 2.589 -12.857 -0.717 1.00 33.24 H new ATOM 0 HG3 LYS A 13 0.946 -12.387 -0.328 1.00 33.24 H new ATOM 0 HD2 LYS A 13 0.772 -12.043 -2.570 1.00 73.54 H new ATOM 0 HD3 LYS A 13 1.501 -10.493 -2.199 1.00 73.54 H new ATOM 0 HE2 LYS A 13 2.871 -11.160 -3.936 1.00 3.14 H new ATOM 0 HE3 LYS A 13 3.784 -11.799 -2.583 1.00 3.14 H new ATOM 0 HZ1 LYS A 13 3.570 -13.416 -4.338 1.00 52.11 H new ATOM 0 HZ2 LYS A 13 2.760 -13.957 -2.947 1.00 52.11 H new ATOM 0 HZ3 LYS A 13 1.875 -13.338 -4.257 1.00 52.11 H new ATOM 202 N LEU A 14 4.656 -9.560 2.063 1.00 63.55 N ATOM 203 CA LEU A 14 5.094 -8.465 2.920 1.00 33.23 C ATOM 204 C LEU A 14 6.513 -8.031 2.568 1.00 34.40 C ATOM 205 O LEU A 14 6.826 -6.861 2.745 1.00 14.13 O ATOM 206 CB LEU A 14 5.034 -8.864 4.402 1.00 12.44 C ATOM 207 CG LEU A 14 3.614 -9.177 4.907 1.00 71.10 C ATOM 208 CD1 LEU A 14 3.706 -9.711 6.340 1.00 34.23 C ATOM 209 CD2 LEU A 14 2.695 -7.955 4.874 1.00 54.02 C ATOM 0 H LEU A 14 4.623 -10.472 2.519 1.00 63.55 H new ATOM 0 HA LEU A 14 4.414 -7.630 2.752 1.00 33.23 H new ATOM 0 HB2 LEU A 14 5.666 -9.738 4.558 1.00 12.44 H new ATOM 0 HB3 LEU A 14 5.453 -8.057 5.003 1.00 12.44 H new ATOM 0 HG LEU A 14 3.179 -9.922 4.240 1.00 71.10 H new ATOM 0 HD11 LEU A 14 2.706 -9.937 6.709 1.00 34.23 H new ATOM 0 HD12 LEU A 14 4.310 -10.618 6.352 1.00 34.23 H new ATOM 0 HD13 LEU A 14 4.168 -8.959 6.980 1.00 34.23 H new ATOM 0 HD21 LEU A 14 1.707 -8.233 5.241 1.00 54.02 H new ATOM 0 HD22 LEU A 14 3.110 -7.171 5.507 1.00 54.02 H new ATOM 0 HD23 LEU A 14 2.613 -7.589 3.851 1.00 54.02 H new ATOM 221 N GLN A 15 7.334 -8.921 1.998 1.00 4.32 N ATOM 222 CA GLN A 15 8.724 -8.641 1.642 1.00 2.51 C ATOM 223 C GLN A 15 8.835 -7.442 0.702 1.00 55.13 C ATOM 224 O GLN A 15 9.621 -6.535 0.965 1.00 75.52 O ATOM 225 CB GLN A 15 9.326 -9.903 1.002 1.00 72.41 C ATOM 226 CG GLN A 15 10.833 -9.820 0.733 1.00 1.44 C ATOM 227 CD GLN A 15 11.321 -11.022 -0.080 1.00 32.12 C ATOM 228 OE1 GLN A 15 10.790 -12.125 0.021 1.00 74.23 O ATOM 229 NE2 GLN A 15 12.327 -10.838 -0.916 1.00 24.21 N ATOM 0 H GLN A 15 7.043 -9.871 1.769 1.00 4.32 H new ATOM 0 HA GLN A 15 9.280 -8.381 2.543 1.00 2.51 H new ATOM 0 HB2 GLN A 15 9.132 -10.754 1.655 1.00 72.41 H new ATOM 0 HB3 GLN A 15 8.812 -10.099 0.061 1.00 72.41 H new ATOM 0 HG2 GLN A 15 11.058 -8.899 0.195 1.00 1.44 H new ATOM 0 HG3 GLN A 15 11.371 -9.776 1.680 1.00 1.44 H new ATOM 0 HE21 GLN A 15 12.763 -9.919 -0.995 1.00 24.21 H new ATOM 0 HE22 GLN A 15 12.668 -11.615 -1.483 1.00 24.21 H new ATOM 238 N VAL A 16 8.047 -7.412 -0.371 1.00 41.11 N ATOM 239 CA VAL A 16 8.097 -6.311 -1.324 1.00 51.54 C ATOM 240 C VAL A 16 7.635 -4.988 -0.692 1.00 73.41 C ATOM 241 O VAL A 16 8.202 -3.945 -1.009 1.00 53.20 O ATOM 242 CB VAL A 16 7.345 -6.684 -2.620 1.00 14.11 C ATOM 243 CG1 VAL A 16 7.948 -7.940 -3.259 1.00 72.01 C ATOM 244 CG2 VAL A 16 5.847 -6.918 -2.420 1.00 31.12 C ATOM 0 H VAL A 16 7.368 -8.138 -0.600 1.00 41.11 H new ATOM 0 HA VAL A 16 9.135 -6.139 -1.609 1.00 51.54 H new ATOM 0 HB VAL A 16 7.462 -5.820 -3.274 1.00 14.11 H new ATOM 0 HG11 VAL A 16 7.401 -8.183 -4.170 1.00 72.01 H new ATOM 0 HG12 VAL A 16 8.995 -7.758 -3.501 1.00 72.01 H new ATOM 0 HG13 VAL A 16 7.877 -8.774 -2.560 1.00 72.01 H new ATOM 0 HG21 VAL A 16 5.388 -7.176 -3.375 1.00 31.12 H new ATOM 0 HG22 VAL A 16 5.697 -7.734 -1.714 1.00 31.12 H new ATOM 0 HG23 VAL A 16 5.386 -6.011 -2.029 1.00 31.12 H new ATOM 254 N ILE A 17 6.624 -5.013 0.188 1.00 74.24 N ATOM 255 CA ILE A 17 6.106 -3.810 0.844 1.00 75.05 C ATOM 256 C ILE A 17 7.138 -3.299 1.856 1.00 53.01 C ATOM 257 O ILE A 17 7.329 -2.098 2.004 1.00 22.12 O ATOM 258 CB ILE A 17 4.736 -4.062 1.527 1.00 2.23 C ATOM 259 CG1 ILE A 17 3.720 -4.778 0.608 1.00 14.52 C ATOM 260 CG2 ILE A 17 4.152 -2.725 2.022 1.00 40.40 C ATOM 261 CD1 ILE A 17 2.437 -5.197 1.339 1.00 24.23 C ATOM 0 H ILE A 17 6.144 -5.870 0.463 1.00 74.24 H new ATOM 0 HA ILE A 17 5.938 -3.050 0.081 1.00 75.05 H new ATOM 0 HB ILE A 17 4.917 -4.731 2.369 1.00 2.23 H new ATOM 0 HG12 ILE A 17 3.460 -4.118 -0.220 1.00 14.52 H new ATOM 0 HG13 ILE A 17 4.190 -5.662 0.176 1.00 14.52 H new ATOM 0 HG21 ILE A 17 3.190 -2.904 2.502 1.00 40.40 H new ATOM 0 HG22 ILE A 17 4.836 -2.272 2.739 1.00 40.40 H new ATOM 0 HG23 ILE A 17 4.016 -2.052 1.176 1.00 40.40 H new ATOM 0 HD11 ILE A 17 1.765 -5.694 0.639 1.00 24.23 H new ATOM 0 HD12 ILE A 17 2.687 -5.881 2.150 1.00 24.23 H new ATOM 0 HD13 ILE A 17 1.946 -4.314 1.748 1.00 24.23 H new ATOM 273 N ASP A 18 7.788 -4.199 2.581 1.00 32.30 N ATOM 274 CA ASP A 18 8.793 -3.872 3.583 1.00 61.44 C ATOM 275 C ASP A 18 10.011 -3.225 2.919 1.00 41.25 C ATOM 276 O ASP A 18 10.553 -2.254 3.446 1.00 33.24 O ATOM 277 CB ASP A 18 9.143 -5.156 4.338 1.00 1.51 C ATOM 278 CG ASP A 18 9.899 -4.882 5.630 1.00 31.21 C ATOM 279 OD1 ASP A 18 9.229 -4.854 6.693 1.00 12.55 O ATOM 280 OD2 ASP A 18 11.138 -4.782 5.581 1.00 3.44 O ATOM 0 H ASP A 18 7.627 -5.202 2.486 1.00 32.30 H new ATOM 0 HA ASP A 18 8.413 -3.143 4.298 1.00 61.44 H new ATOM 0 HB2 ASP A 18 8.227 -5.702 4.565 1.00 1.51 H new ATOM 0 HB3 ASP A 18 9.746 -5.798 3.697 1.00 1.51 H new ATOM 285 N TRP A 19 10.379 -3.710 1.726 1.00 52.33 N ATOM 286 CA TRP A 19 11.504 -3.228 0.936 1.00 63.02 C ATOM 287 C TRP A 19 11.248 -1.794 0.480 1.00 24.31 C ATOM 288 O TRP A 19 12.059 -0.912 0.762 1.00 13.12 O ATOM 289 CB TRP A 19 11.704 -4.183 -0.253 1.00 34.54 C ATOM 290 CG TRP A 19 12.668 -3.784 -1.333 1.00 1.21 C ATOM 291 CD1 TRP A 19 12.383 -2.989 -2.392 1.00 3.35 C ATOM 292 CD2 TRP A 19 14.054 -4.203 -1.529 1.00 65.33 C ATOM 293 NE1 TRP A 19 13.480 -2.905 -3.221 1.00 43.12 N ATOM 294 CE2 TRP A 19 14.523 -3.674 -2.767 1.00 25.13 C ATOM 295 CE3 TRP A 19 14.959 -4.992 -0.794 1.00 31.42 C ATOM 296 CZ2 TRP A 19 15.801 -3.957 -3.274 1.00 53.51 C ATOM 297 CZ3 TRP A 19 16.238 -5.305 -1.298 1.00 71.31 C ATOM 298 CH2 TRP A 19 16.657 -4.799 -2.544 1.00 11.24 C ATOM 0 H TRP A 19 9.879 -4.476 1.274 1.00 52.33 H new ATOM 0 HA TRP A 19 12.416 -3.214 1.532 1.00 63.02 H new ATOM 0 HB2 TRP A 19 12.029 -5.145 0.144 1.00 34.54 H new ATOM 0 HB3 TRP A 19 10.731 -4.343 -0.718 1.00 34.54 H new ATOM 0 HD1 TRP A 19 11.438 -2.495 -2.561 1.00 3.35 H new ATOM 0 HE1 TRP A 19 13.513 -2.340 -4.069 1.00 43.12 H new ATOM 0 HE3 TRP A 19 14.667 -5.365 0.177 1.00 31.42 H new ATOM 0 HZ2 TRP A 19 16.122 -3.533 -4.214 1.00 53.51 H new ATOM 0 HZ3 TRP A 19 16.901 -5.937 -0.725 1.00 71.31 H new ATOM 0 HH2 TRP A 19 17.630 -5.057 -2.936 1.00 11.24 H new ATOM 309 N LEU A 20 10.114 -1.533 -0.189 1.00 44.42 N ATOM 310 CA LEU A 20 9.804 -0.183 -0.660 1.00 61.23 C ATOM 311 C LEU A 20 9.705 0.825 0.496 1.00 51.42 C ATOM 312 O LEU A 20 10.095 1.980 0.323 1.00 63.42 O ATOM 313 CB LEU A 20 8.601 -0.195 -1.616 1.00 12.01 C ATOM 314 CG LEU A 20 7.255 -0.660 -1.036 1.00 43.11 C ATOM 315 CD1 LEU A 20 6.399 0.487 -0.493 1.00 70.41 C ATOM 316 CD2 LEU A 20 6.440 -1.415 -2.088 1.00 41.31 C ATOM 0 H LEU A 20 9.407 -2.233 -0.412 1.00 44.42 H new ATOM 0 HA LEU A 20 10.642 0.179 -1.256 1.00 61.23 H new ATOM 0 HB2 LEU A 20 8.471 0.813 -2.009 1.00 12.01 H new ATOM 0 HB3 LEU A 20 8.846 -0.838 -2.461 1.00 12.01 H new ATOM 0 HG LEU A 20 7.509 -1.315 -0.203 1.00 43.11 H new ATOM 0 HD11 LEU A 20 5.464 0.088 -0.099 1.00 70.41 H new ATOM 0 HD12 LEU A 20 6.939 0.999 0.303 1.00 70.41 H new ATOM 0 HD13 LEU A 20 6.183 1.192 -1.296 1.00 70.41 H new ATOM 0 HD21 LEU A 20 5.492 -1.734 -1.654 1.00 41.31 H new ATOM 0 HD22 LEU A 20 6.248 -0.760 -2.938 1.00 41.31 H new ATOM 0 HD23 LEU A 20 6.998 -2.289 -2.422 1.00 41.31 H new ATOM 328 N ILE A 21 9.234 0.410 1.679 1.00 22.24 N ATOM 329 CA ILE A 21 9.130 1.296 2.843 1.00 5.03 C ATOM 330 C ILE A 21 10.545 1.679 3.314 1.00 22.31 C ATOM 331 O ILE A 21 10.789 2.825 3.696 1.00 11.34 O ATOM 332 CB ILE A 21 8.329 0.602 3.976 1.00 31.41 C ATOM 333 CG1 ILE A 21 6.816 0.523 3.666 1.00 42.43 C ATOM 334 CG2 ILE A 21 8.534 1.301 5.331 1.00 12.02 C ATOM 335 CD1 ILE A 21 6.077 -0.501 4.539 1.00 54.22 C ATOM 0 H ILE A 21 8.916 -0.543 1.855 1.00 22.24 H new ATOM 0 HA ILE A 21 8.594 2.205 2.569 1.00 5.03 H new ATOM 0 HB ILE A 21 8.721 -0.413 4.036 1.00 31.41 H new ATOM 0 HG12 ILE A 21 6.369 1.506 3.812 1.00 42.43 H new ATOM 0 HG13 ILE A 21 6.679 0.263 2.616 1.00 42.43 H new ATOM 0 HG21 ILE A 21 7.956 0.785 6.098 1.00 12.02 H new ATOM 0 HG22 ILE A 21 9.591 1.278 5.596 1.00 12.02 H new ATOM 0 HG23 ILE A 21 8.200 2.336 5.261 1.00 12.02 H new ATOM 0 HD11 ILE A 21 5.020 -0.510 4.274 1.00 54.22 H new ATOM 0 HD12 ILE A 21 6.500 -1.492 4.375 1.00 54.22 H new ATOM 0 HD13 ILE A 21 6.186 -0.230 5.589 1.00 54.22 H new ATOM 347 N GLU A 22 11.479 0.727 3.328 1.00 54.02 N ATOM 348 CA GLU A 22 12.852 0.955 3.766 1.00 23.00 C ATOM 349 C GLU A 22 13.675 1.724 2.722 1.00 53.04 C ATOM 350 O GLU A 22 14.670 2.376 3.057 1.00 24.31 O ATOM 351 CB GLU A 22 13.480 -0.403 4.092 1.00 53.21 C ATOM 352 CG GLU A 22 14.714 -0.242 4.982 1.00 33.03 C ATOM 353 CD GLU A 22 15.316 -1.603 5.294 1.00 54.31 C ATOM 354 OE1 GLU A 22 16.167 -2.064 4.495 1.00 45.34 O ATOM 355 OE2 GLU A 22 14.904 -2.216 6.303 1.00 32.22 O ATOM 0 H GLU A 22 11.299 -0.233 3.032 1.00 54.02 H new ATOM 0 HA GLU A 22 12.846 1.584 4.656 1.00 23.00 H new ATOM 0 HB2 GLU A 22 12.747 -1.035 4.593 1.00 53.21 H new ATOM 0 HB3 GLU A 22 13.758 -0.909 3.168 1.00 53.21 H new ATOM 0 HG2 GLU A 22 15.453 0.385 4.482 1.00 33.03 H new ATOM 0 HG3 GLU A 22 14.440 0.264 5.908 1.00 33.03 H new ATOM 362 N ASN A 23 13.282 1.630 1.448 1.00 34.25 N ATOM 363 CA ASN A 23 13.936 2.297 0.327 1.00 71.12 C ATOM 364 C ASN A 23 13.649 3.798 0.341 1.00 21.11 C ATOM 365 O ASN A 23 14.561 4.585 0.075 1.00 71.52 O ATOM 366 CB ASN A 23 13.450 1.711 -1.008 1.00 31.34 C ATOM 367 CG ASN A 23 14.374 0.658 -1.604 1.00 30.22 C ATOM 368 OD1 ASN A 23 14.620 0.672 -2.805 1.00 60.35 O ATOM 369 ND2 ASN A 23 14.895 -0.273 -0.827 1.00 71.34 N ATOM 0 H ASN A 23 12.477 1.071 1.164 1.00 34.25 H new ATOM 0 HA ASN A 23 15.009 2.135 0.430 1.00 71.12 H new ATOM 0 HB2 ASN A 23 12.464 1.270 -0.860 1.00 31.34 H new ATOM 0 HB3 ASN A 23 13.332 2.523 -1.726 1.00 31.34 H new ATOM 0 HD21 ASN A 23 15.506 -0.986 -1.225 1.00 71.34 H new ATOM 0 HD22 ASN A 23 14.687 -0.279 0.171 1.00 71.34 H new ATOM 376 N PHE A 24 12.412 4.208 0.650 1.00 25.31 N ATOM 377 CA PHE A 24 12.012 5.613 0.693 1.00 21.34 C ATOM 378 C PHE A 24 11.489 6.015 2.076 1.00 61.10 C ATOM 379 O PHE A 24 10.284 6.177 2.277 1.00 22.11 O ATOM 380 CB PHE A 24 11.037 5.952 -0.442 1.00 62.35 C ATOM 381 CG PHE A 24 11.726 6.515 -1.666 1.00 70.11 C ATOM 382 CD1 PHE A 24 12.127 7.863 -1.698 1.00 5.32 C ATOM 383 CD2 PHE A 24 11.889 5.719 -2.806 1.00 11.13 C ATOM 384 CE1 PHE A 24 12.634 8.430 -2.879 1.00 61.43 C ATOM 385 CE2 PHE A 24 12.371 6.294 -3.993 1.00 33.04 C ATOM 386 CZ PHE A 24 12.745 7.646 -4.036 1.00 11.31 C ATOM 0 H PHE A 24 11.655 3.563 0.879 1.00 25.31 H new ATOM 0 HA PHE A 24 12.903 6.218 0.524 1.00 21.34 H new ATOM 0 HB2 PHE A 24 10.488 5.053 -0.722 1.00 62.35 H new ATOM 0 HB3 PHE A 24 10.304 6.673 -0.081 1.00 62.35 H new ATOM 0 HD1 PHE A 24 12.044 8.467 -0.807 1.00 5.32 H new ATOM 0 HD2 PHE A 24 11.645 4.667 -2.773 1.00 11.13 H new ATOM 0 HE1 PHE A 24 12.937 9.466 -2.896 1.00 61.43 H new ATOM 0 HE2 PHE A 24 12.455 5.689 -4.883 1.00 33.04 H new ATOM 0 HZ PHE A 24 13.115 8.079 -4.953 1.00 11.31 H new ATOM 396 N PRO A 25 12.383 6.268 3.045 1.00 63.12 N ATOM 397 CA PRO A 25 12.004 6.684 4.390 1.00 55.34 C ATOM 398 C PRO A 25 11.558 8.167 4.417 1.00 30.20 C ATOM 399 O PRO A 25 11.703 8.822 5.452 1.00 0.45 O ATOM 400 CB PRO A 25 13.254 6.401 5.236 1.00 64.01 C ATOM 401 CG PRO A 25 14.394 6.659 4.257 1.00 43.04 C ATOM 402 CD PRO A 25 13.831 6.114 2.951 1.00 61.13 C ATOM 0 HA PRO A 25 11.139 6.147 4.780 1.00 55.34 H new ATOM 0 HB2 PRO A 25 13.311 7.057 6.104 1.00 64.01 H new ATOM 0 HB3 PRO A 25 13.266 5.377 5.609 1.00 64.01 H new ATOM 0 HG2 PRO A 25 14.635 7.719 4.184 1.00 43.04 H new ATOM 0 HG3 PRO A 25 15.308 6.144 4.552 1.00 43.04 H new ATOM 0 HD2 PRO A 25 14.227 6.662 2.096 1.00 61.13 H new ATOM 0 HD3 PRO A 25 14.105 5.068 2.814 1.00 61.13 H new ATOM 410 N ASN A 26 11.106 8.756 3.297 1.00 65.20 N ATOM 411 CA ASN A 26 10.659 10.156 3.240 1.00 24.05 C ATOM 412 C ASN A 26 9.176 10.251 3.597 1.00 63.21 C ATOM 413 O ASN A 26 8.709 11.328 3.973 1.00 64.21 O ATOM 414 CB ASN A 26 10.937 10.793 1.866 1.00 51.30 C ATOM 415 CG ASN A 26 12.399 10.723 1.420 1.00 32.24 C ATOM 416 OD1 ASN A 26 12.714 10.684 0.234 1.00 4.40 O ATOM 417 ND2 ASN A 26 13.329 10.645 2.357 1.00 44.21 N ATOM 0 H ASN A 26 11.041 8.271 2.402 1.00 65.20 H new ATOM 0 HA ASN A 26 11.234 10.720 3.974 1.00 24.05 H new ATOM 0 HB2 ASN A 26 10.318 10.298 1.118 1.00 51.30 H new ATOM 0 HB3 ASN A 26 10.628 11.838 1.895 1.00 51.30 H new ATOM 0 HD21 ASN A 26 14.310 10.552 2.095 1.00 44.21 H new ATOM 0 HD22 ASN A 26 13.065 10.678 3.342 1.00 44.21 H new ATOM 424 N ALA A 27 8.442 9.143 3.482 1.00 53.23 N ATOM 425 CA ALA A 27 7.032 8.977 3.816 1.00 52.21 C ATOM 426 C ALA A 27 6.645 7.535 3.523 1.00 51.51 C ATOM 427 O ALA A 27 6.713 7.123 2.366 1.00 3.13 O ATOM 428 CB ALA A 27 6.168 9.840 2.878 1.00 62.35 C ATOM 0 H ALA A 27 8.849 8.278 3.127 1.00 53.23 H new ATOM 0 HA ALA A 27 6.879 9.254 4.859 1.00 52.21 H new ATOM 0 HB1 ALA A 27 5.116 9.712 3.132 1.00 62.35 H new ATOM 0 HB2 ALA A 27 6.444 10.888 2.991 1.00 62.35 H new ATOM 0 HB3 ALA A 27 6.332 9.531 1.846 1.00 62.35 H new ATOM 434 N PHE A 28 6.224 6.791 4.545 1.00 71.42 N ATOM 435 CA PHE A 28 5.740 5.415 4.472 1.00 21.32 C ATOM 436 C PHE A 28 5.349 4.935 5.873 1.00 53.44 C ATOM 437 O PHE A 28 5.769 5.549 6.857 1.00 34.11 O ATOM 438 CB PHE A 28 6.699 4.457 3.741 1.00 55.13 C ATOM 439 CG PHE A 28 6.254 4.126 2.320 1.00 44.53 C ATOM 440 CD1 PHE A 28 4.928 3.720 2.065 1.00 54.30 C ATOM 441 CD2 PHE A 28 7.143 4.270 1.238 1.00 5.00 C ATOM 442 CE1 PHE A 28 4.485 3.478 0.753 1.00 33.44 C ATOM 443 CE2 PHE A 28 6.699 4.033 -0.076 1.00 25.13 C ATOM 444 CZ PHE A 28 5.370 3.639 -0.323 1.00 62.10 C ATOM 0 H PHE A 28 6.211 7.153 5.498 1.00 71.42 H new ATOM 0 HA PHE A 28 4.848 5.406 3.846 1.00 21.32 H new ATOM 0 HB2 PHE A 28 7.693 4.904 3.708 1.00 55.13 H new ATOM 0 HB3 PHE A 28 6.784 3.533 4.312 1.00 55.13 H new ATOM 0 HD1 PHE A 28 4.243 3.593 2.890 1.00 54.30 H new ATOM 0 HD2 PHE A 28 8.167 4.563 1.417 1.00 5.00 H new ATOM 0 HE1 PHE A 28 3.466 3.169 0.574 1.00 33.44 H new ATOM 0 HE2 PHE A 28 7.384 4.154 -0.902 1.00 25.13 H new ATOM 0 HZ PHE A 28 5.034 3.462 -1.334 1.00 62.10 H new ATOM 454 N PHE A 29 4.594 3.837 6.001 1.00 63.10 N ATOM 455 CA PHE A 29 4.203 3.282 7.299 1.00 2.33 C ATOM 456 C PHE A 29 4.135 1.768 7.181 1.00 51.33 C ATOM 457 O PHE A 29 3.862 1.228 6.105 1.00 30.45 O ATOM 458 CB PHE A 29 2.897 3.879 7.824 1.00 42.41 C ATOM 459 CG PHE A 29 3.063 5.305 8.299 1.00 51.32 C ATOM 460 CD1 PHE A 29 2.599 6.375 7.513 1.00 11.32 C ATOM 461 CD2 PHE A 29 3.782 5.565 9.481 1.00 70.41 C ATOM 462 CE1 PHE A 29 2.856 7.700 7.901 1.00 24.14 C ATOM 463 CE2 PHE A 29 3.997 6.891 9.890 1.00 12.53 C ATOM 464 CZ PHE A 29 3.536 7.959 9.103 1.00 43.32 C ATOM 0 H PHE A 29 4.237 3.309 5.205 1.00 63.10 H new ATOM 0 HA PHE A 29 4.957 3.552 8.039 1.00 2.33 H new ATOM 0 HB2 PHE A 29 2.144 3.847 7.037 1.00 42.41 H new ATOM 0 HB3 PHE A 29 2.525 3.267 8.646 1.00 42.41 H new ATOM 0 HD1 PHE A 29 2.043 6.177 6.608 1.00 11.32 H new ATOM 0 HD2 PHE A 29 4.167 4.747 10.072 1.00 70.41 H new ATOM 0 HE1 PHE A 29 2.531 8.519 7.276 1.00 24.14 H new ATOM 0 HE2 PHE A 29 4.519 7.091 10.814 1.00 12.53 H new ATOM 0 HZ PHE A 29 3.704 8.977 9.421 1.00 43.32 H new ATOM 474 N LYS A 30 4.302 1.090 8.313 1.00 42.12 N ATOM 475 CA LYS A 30 4.334 -0.364 8.405 1.00 61.12 C ATOM 476 C LYS A 30 3.204 -0.949 9.230 1.00 73.02 C ATOM 477 O LYS A 30 2.488 -1.828 8.770 1.00 65.54 O ATOM 478 CB LYS A 30 5.658 -0.753 9.083 1.00 22.23 C ATOM 479 CG LYS A 30 6.879 -0.257 8.299 1.00 3.11 C ATOM 480 CD LYS A 30 8.116 -0.105 9.179 1.00 2.22 C ATOM 481 CE LYS A 30 8.744 -1.481 9.420 1.00 14.20 C ATOM 482 NZ LYS A 30 10.023 -1.425 10.147 1.00 34.34 N ATOM 0 H LYS A 30 4.422 1.550 9.215 1.00 42.12 H new ATOM 0 HA LYS A 30 4.231 -0.758 7.394 1.00 61.12 H new ATOM 0 HB2 LYS A 30 5.683 -0.339 10.091 1.00 22.23 H new ATOM 0 HB3 LYS A 30 5.708 -1.837 9.182 1.00 22.23 H new ATOM 0 HG2 LYS A 30 7.096 -0.955 7.491 1.00 3.11 H new ATOM 0 HG3 LYS A 30 6.645 0.702 7.838 1.00 3.11 H new ATOM 0 HD2 LYS A 30 8.837 0.557 8.700 1.00 2.22 H new ATOM 0 HD3 LYS A 30 7.845 0.354 10.130 1.00 2.22 H new ATOM 0 HE2 LYS A 30 8.043 -2.098 9.982 1.00 14.20 H new ATOM 0 HE3 LYS A 30 8.902 -1.972 8.460 1.00 14.20 H new ATOM 0 HZ1 LYS A 30 10.392 -2.389 10.276 1.00 34.34 H new ATOM 0 HZ2 LYS A 30 10.707 -0.862 9.603 1.00 34.34 H new ATOM 0 HZ3 LYS A 30 9.875 -0.984 11.077 1.00 34.34 H new ATOM 496 N LYS A 31 2.994 -0.413 10.432 1.00 35.20 N ATOM 497 CA LYS A 31 2.001 -0.885 11.399 1.00 41.32 C ATOM 498 C LYS A 31 0.535 -0.957 10.961 1.00 14.54 C ATOM 499 O LYS A 31 -0.262 -1.465 11.748 1.00 10.13 O ATOM 500 CB LYS A 31 2.167 -0.099 12.710 1.00 55.22 C ATOM 501 CG LYS A 31 3.599 -0.210 13.265 1.00 72.05 C ATOM 502 CD LYS A 31 3.742 0.475 14.623 1.00 4.03 C ATOM 503 CE LYS A 31 5.170 1.002 14.800 1.00 41.25 C ATOM 504 NZ LYS A 31 5.452 1.469 16.175 1.00 41.52 N ATOM 0 H LYS A 31 3.527 0.388 10.771 1.00 35.20 H new ATOM 0 HA LYS A 31 2.231 -1.943 11.525 1.00 41.32 H new ATOM 0 HB2 LYS A 31 1.924 0.950 12.539 1.00 55.22 H new ATOM 0 HB3 LYS A 31 1.460 -0.473 13.450 1.00 55.22 H new ATOM 0 HG2 LYS A 31 3.871 -1.261 13.359 1.00 72.05 H new ATOM 0 HG3 LYS A 31 4.297 0.238 12.558 1.00 72.05 H new ATOM 0 HD2 LYS A 31 3.031 1.297 14.701 1.00 4.03 H new ATOM 0 HD3 LYS A 31 3.504 -0.229 15.421 1.00 4.03 H new ATOM 0 HE2 LYS A 31 5.876 0.214 14.539 1.00 41.25 H new ATOM 0 HE3 LYS A 31 5.336 1.823 14.103 1.00 41.25 H new ATOM 0 HZ1 LYS A 31 6.432 1.813 16.231 1.00 41.52 H new ATOM 0 HZ2 LYS A 31 4.800 2.241 16.420 1.00 41.52 H new ATOM 0 HZ3 LYS A 31 5.323 0.682 16.842 1.00 41.52 H new ATOM 518 N GLY A 32 0.119 -0.421 9.812 1.00 41.45 N ATOM 519 CA GLY A 32 -1.272 -0.479 9.352 1.00 54.04 C ATOM 520 C GLY A 32 -2.160 0.548 10.050 1.00 15.11 C ATOM 521 O GLY A 32 -2.757 1.405 9.421 1.00 52.20 O ATOM 0 H GLY A 32 0.741 0.069 9.169 1.00 41.45 H new ATOM 0 HA2 GLY A 32 -1.303 -0.310 8.276 1.00 54.04 H new ATOM 0 HA3 GLY A 32 -1.669 -1.479 9.529 1.00 54.04 H new ATOM 525 N ASN A 33 -2.199 0.530 11.374 1.00 45.42 N ATOM 526 CA ASN A 33 -2.988 1.391 12.249 1.00 32.24 C ATOM 527 C ASN A 33 -2.719 2.879 12.060 1.00 65.53 C ATOM 528 O ASN A 33 -3.558 3.696 12.422 1.00 62.44 O ATOM 529 CB ASN A 33 -2.814 0.987 13.729 1.00 50.13 C ATOM 530 CG ASN A 33 -1.396 0.896 14.286 1.00 4.45 C ATOM 531 OD1 ASN A 33 -0.476 1.790 13.961 1.00 73.04 O flip ATOM 532 ND2 ASN A 33 -1.096 0.016 15.079 1.00 51.21 N flip ATOM 0 H ASN A 33 -1.639 -0.136 11.906 1.00 45.42 H new ATOM 0 HA ASN A 33 -4.026 1.235 11.955 1.00 32.24 H new ATOM 0 HB2 ASN A 33 -3.366 1.703 14.338 1.00 50.13 H new ATOM 0 HB3 ASN A 33 -3.290 0.016 13.868 1.00 50.13 H new ATOM 0 HD21 ASN A 33 -1.786 -0.686 15.347 1.00 51.21 H new ATOM 0 HD22 ASN A 33 -0.156 -0.017 15.473 1.00 51.21 H new ATOM 539 N GLN A 34 -1.548 3.233 11.533 1.00 43.30 N ATOM 540 CA GLN A 34 -1.106 4.602 11.287 1.00 12.13 C ATOM 541 C GLN A 34 -0.919 4.921 9.799 1.00 11.31 C ATOM 542 O GLN A 34 -0.486 6.030 9.494 1.00 71.13 O ATOM 543 CB GLN A 34 0.142 4.893 12.152 1.00 13.11 C ATOM 544 CG GLN A 34 1.311 3.906 11.954 1.00 24.44 C ATOM 545 CD GLN A 34 2.308 3.809 13.118 1.00 22.31 C ATOM 546 OE1 GLN A 34 3.492 3.575 12.893 1.00 33.32 O ATOM 547 NE2 GLN A 34 1.892 3.869 14.374 1.00 0.43 N ATOM 0 H GLN A 34 -0.852 2.542 11.254 1.00 43.30 H new ATOM 0 HA GLN A 34 -1.897 5.286 11.593 1.00 12.13 H new ATOM 0 HB2 GLN A 34 0.494 5.900 11.930 1.00 13.11 H new ATOM 0 HB3 GLN A 34 -0.150 4.882 13.202 1.00 13.11 H new ATOM 0 HG2 GLN A 34 0.897 2.914 11.771 1.00 24.44 H new ATOM 0 HG3 GLN A 34 1.857 4.194 11.056 1.00 24.44 H new ATOM 0 HE21 GLN A 34 0.911 4.062 14.578 1.00 0.43 H new ATOM 0 HE22 GLN A 34 2.552 3.722 15.137 1.00 0.43 H new ATOM 556 N VAL A 35 -1.202 3.987 8.878 1.00 45.32 N ATOM 557 CA VAL A 35 -1.004 4.284 7.440 1.00 44.22 C ATOM 558 C VAL A 35 -1.736 5.549 6.956 1.00 2.13 C ATOM 559 O VAL A 35 -2.826 5.871 7.442 1.00 51.24 O ATOM 560 CB VAL A 35 -1.329 3.076 6.538 1.00 44.34 C ATOM 561 CG1 VAL A 35 -0.384 1.912 6.865 1.00 14.34 C ATOM 562 CG2 VAL A 35 -2.813 2.679 6.554 1.00 52.02 C ATOM 0 H VAL A 35 -1.555 3.053 9.085 1.00 45.32 H new ATOM 0 HA VAL A 35 0.061 4.495 7.347 1.00 44.22 H new ATOM 0 HB VAL A 35 -1.151 3.375 5.505 1.00 44.34 H new ATOM 0 HG11 VAL A 35 -0.619 1.062 6.225 1.00 14.34 H new ATOM 0 HG12 VAL A 35 0.647 2.221 6.694 1.00 14.34 H new ATOM 0 HG13 VAL A 35 -0.508 1.625 7.909 1.00 14.34 H new ATOM 0 HG21 VAL A 35 -2.968 1.823 5.897 1.00 52.02 H new ATOM 0 HG22 VAL A 35 -3.108 2.416 7.570 1.00 52.02 H new ATOM 0 HG23 VAL A 35 -3.418 3.517 6.206 1.00 52.02 H new ATOM 572 N LYS A 36 -1.149 6.249 5.972 1.00 43.44 N ATOM 573 CA LYS A 36 -1.688 7.481 5.375 1.00 30.52 C ATOM 574 C LYS A 36 -1.913 7.267 3.875 1.00 14.13 C ATOM 575 O LYS A 36 -1.287 6.376 3.296 1.00 72.51 O ATOM 576 CB LYS A 36 -0.799 8.711 5.733 1.00 11.54 C ATOM 577 CG LYS A 36 0.247 9.193 4.689 1.00 33.32 C ATOM 578 CD LYS A 36 -0.075 10.571 4.060 1.00 3.00 C ATOM 579 CE LYS A 36 0.396 11.732 4.955 1.00 61.23 C ATOM 580 NZ LYS A 36 -0.300 13.017 4.700 1.00 54.40 N ATOM 0 H LYS A 36 -0.261 5.965 5.558 1.00 43.44 H new ATOM 0 HA LYS A 36 -2.664 7.714 5.800 1.00 30.52 H new ATOM 0 HB2 LYS A 36 -1.462 9.548 5.950 1.00 11.54 H new ATOM 0 HB3 LYS A 36 -0.266 8.479 6.655 1.00 11.54 H new ATOM 0 HG2 LYS A 36 1.225 9.244 5.168 1.00 33.32 H new ATOM 0 HG3 LYS A 36 0.319 8.451 3.894 1.00 33.32 H new ATOM 0 HD2 LYS A 36 0.405 10.646 3.084 1.00 3.00 H new ATOM 0 HD3 LYS A 36 -1.149 10.653 3.894 1.00 3.00 H new ATOM 0 HE2 LYS A 36 0.250 11.454 5.999 1.00 61.23 H new ATOM 0 HE3 LYS A 36 1.467 11.876 4.810 1.00 61.23 H new ATOM 0 HZ1 LYS A 36 0.310 13.806 4.994 1.00 54.40 H new ATOM 0 HZ2 LYS A 36 -0.511 13.102 3.685 1.00 54.40 H new ATOM 0 HZ3 LYS A 36 -1.187 13.045 5.242 1.00 54.40 H new ATOM 594 N PRO A 37 -2.762 8.058 3.208 1.00 74.23 N ATOM 595 CA PRO A 37 -3.006 7.920 1.781 1.00 65.11 C ATOM 596 C PRO A 37 -1.807 8.466 0.983 1.00 75.41 C ATOM 597 O PRO A 37 -1.509 9.659 1.052 1.00 64.10 O ATOM 598 CB PRO A 37 -4.290 8.719 1.529 1.00 14.21 C ATOM 599 CG PRO A 37 -4.254 9.817 2.594 1.00 34.55 C ATOM 600 CD PRO A 37 -3.579 9.120 3.772 1.00 51.11 C ATOM 0 HA PRO A 37 -3.122 6.884 1.462 1.00 65.11 H new ATOM 0 HB2 PRO A 37 -4.309 9.138 0.523 1.00 14.21 H new ATOM 0 HB3 PRO A 37 -5.177 8.093 1.630 1.00 14.21 H new ATOM 0 HG2 PRO A 37 -3.688 10.687 2.260 1.00 34.55 H new ATOM 0 HG3 PRO A 37 -5.254 10.166 2.849 1.00 34.55 H new ATOM 0 HD2 PRO A 37 -2.967 9.821 4.339 1.00 51.11 H new ATOM 0 HD3 PRO A 37 -4.321 8.715 4.461 1.00 51.11 H new ATOM 608 N LEU A 38 -1.076 7.593 0.279 1.00 12.44 N ATOM 609 CA LEU A 38 0.063 8.003 -0.551 1.00 45.12 C ATOM 610 C LEU A 38 -0.489 8.530 -1.887 1.00 41.13 C ATOM 611 O LEU A 38 -1.650 8.272 -2.214 1.00 2.24 O ATOM 612 CB LEU A 38 1.014 6.826 -0.840 1.00 23.10 C ATOM 613 CG LEU A 38 1.992 6.380 0.265 1.00 2.10 C ATOM 614 CD1 LEU A 38 2.642 7.551 1.008 1.00 61.43 C ATOM 615 CD2 LEU A 38 1.328 5.439 1.266 1.00 25.12 C ATOM 0 H LEU A 38 -1.256 6.589 0.268 1.00 12.44 H new ATOM 0 HA LEU A 38 0.627 8.767 -0.016 1.00 45.12 H new ATOM 0 HB2 LEU A 38 0.403 5.965 -1.109 1.00 23.10 H new ATOM 0 HB3 LEU A 38 1.604 7.085 -1.719 1.00 23.10 H new ATOM 0 HG LEU A 38 2.784 5.843 -0.256 1.00 2.10 H new ATOM 0 HD11 LEU A 38 3.318 7.167 1.772 1.00 61.43 H new ATOM 0 HD12 LEU A 38 3.202 8.164 0.302 1.00 61.43 H new ATOM 0 HD13 LEU A 38 1.868 8.157 1.480 1.00 61.43 H new ATOM 0 HD21 LEU A 38 2.052 5.149 2.028 1.00 25.12 H new ATOM 0 HD22 LEU A 38 0.487 5.946 1.739 1.00 25.12 H new ATOM 0 HD23 LEU A 38 0.971 4.549 0.747 1.00 25.12 H new ATOM 627 N LYS A 39 0.342 9.213 -2.681 1.00 31.52 N ATOM 628 CA LYS A 39 0.030 9.809 -3.983 1.00 75.03 C ATOM 629 C LYS A 39 -0.682 8.822 -4.912 1.00 0.53 C ATOM 630 O LYS A 39 -0.517 7.602 -4.813 1.00 52.14 O ATOM 631 CB LYS A 39 1.357 10.314 -4.596 1.00 41.14 C ATOM 632 CG LYS A 39 1.339 10.626 -6.108 1.00 72.31 C ATOM 633 CD LYS A 39 2.735 11.052 -6.559 1.00 51.43 C ATOM 634 CE LYS A 39 2.951 11.118 -8.071 1.00 11.12 C ATOM 635 NZ LYS A 39 4.362 11.452 -8.371 1.00 51.20 N ATOM 0 H LYS A 39 1.313 9.374 -2.414 1.00 31.52 H new ATOM 0 HA LYS A 39 -0.664 10.639 -3.852 1.00 75.03 H new ATOM 0 HB2 LYS A 39 1.657 11.217 -4.064 1.00 41.14 H new ATOM 0 HB3 LYS A 39 2.126 9.564 -4.411 1.00 41.14 H new ATOM 0 HG2 LYS A 39 1.017 9.747 -6.667 1.00 72.31 H new ATOM 0 HG3 LYS A 39 0.620 11.418 -6.318 1.00 72.31 H new ATOM 0 HD2 LYS A 39 2.950 12.034 -6.137 1.00 51.43 H new ATOM 0 HD3 LYS A 39 3.461 10.357 -6.137 1.00 51.43 H new ATOM 0 HE2 LYS A 39 2.691 10.162 -8.525 1.00 11.12 H new ATOM 0 HE3 LYS A 39 2.291 11.868 -8.508 1.00 11.12 H new ATOM 0 HZ1 LYS A 39 4.646 10.994 -9.261 1.00 51.20 H new ATOM 0 HZ2 LYS A 39 4.462 12.483 -8.465 1.00 51.20 H new ATOM 0 HZ3 LYS A 39 4.971 11.114 -7.598 1.00 51.20 H new ATOM 649 N ILE A 40 -1.524 9.371 -5.792 1.00 63.42 N ATOM 650 CA ILE A 40 -2.266 8.589 -6.760 1.00 65.54 C ATOM 651 C ILE A 40 -1.245 7.906 -7.672 1.00 70.42 C ATOM 652 O ILE A 40 -0.363 8.540 -8.242 1.00 34.23 O ATOM 653 CB ILE A 40 -3.292 9.465 -7.517 1.00 3.32 C ATOM 654 CG1 ILE A 40 -4.131 8.672 -8.543 1.00 4.51 C ATOM 655 CG2 ILE A 40 -2.642 10.647 -8.249 1.00 64.20 C ATOM 656 CD1 ILE A 40 -4.975 7.565 -7.909 1.00 53.03 C ATOM 0 H ILE A 40 -1.704 10.374 -5.846 1.00 63.42 H new ATOM 0 HA ILE A 40 -2.867 7.821 -6.274 1.00 65.54 H new ATOM 0 HB ILE A 40 -3.948 9.838 -6.730 1.00 3.32 H new ATOM 0 HG12 ILE A 40 -4.788 9.361 -9.074 1.00 4.51 H new ATOM 0 HG13 ILE A 40 -3.464 8.231 -9.284 1.00 4.51 H new ATOM 0 HG21 ILE A 40 -3.411 11.225 -8.762 1.00 64.20 H new ATOM 0 HG22 ILE A 40 -2.129 11.284 -7.528 1.00 64.20 H new ATOM 0 HG23 ILE A 40 -1.923 10.273 -8.978 1.00 64.20 H new ATOM 0 HD11 ILE A 40 -5.539 7.048 -8.685 1.00 53.03 H new ATOM 0 HD12 ILE A 40 -4.322 6.855 -7.401 1.00 53.03 H new ATOM 0 HD13 ILE A 40 -5.666 8.002 -7.188 1.00 53.03 H new ATOM 668 N GLY A 41 -1.343 6.587 -7.770 1.00 45.54 N ATOM 669 CA GLY A 41 -0.448 5.804 -8.607 1.00 25.31 C ATOM 670 C GLY A 41 1.027 5.879 -8.197 1.00 63.42 C ATOM 671 O GLY A 41 1.873 5.601 -9.041 1.00 74.32 O ATOM 0 H GLY A 41 -2.042 6.033 -7.274 1.00 45.54 H new ATOM 0 HA2 GLY A 41 -0.767 4.762 -8.584 1.00 25.31 H new ATOM 0 HA3 GLY A 41 -0.544 6.144 -9.638 1.00 25.31 H new ATOM 675 N ILE A 42 1.344 6.136 -6.919 1.00 42.45 N ATOM 676 CA ILE A 42 2.707 6.248 -6.380 1.00 73.44 C ATOM 677 C ILE A 42 3.586 5.051 -6.777 1.00 74.04 C ATOM 678 O ILE A 42 4.789 5.207 -6.959 1.00 24.10 O ATOM 679 CB ILE A 42 2.646 6.396 -4.840 1.00 15.12 C ATOM 680 CG1 ILE A 42 4.066 6.636 -4.291 1.00 24.33 C ATOM 681 CG2 ILE A 42 1.952 5.195 -4.156 1.00 71.03 C ATOM 682 CD1 ILE A 42 4.124 7.015 -2.815 1.00 10.32 C ATOM 0 H ILE A 42 0.629 6.277 -6.205 1.00 42.45 H new ATOM 0 HA ILE A 42 3.169 7.136 -6.812 1.00 73.44 H new ATOM 0 HB ILE A 42 2.027 7.262 -4.603 1.00 15.12 H new ATOM 0 HG12 ILE A 42 4.657 5.733 -4.444 1.00 24.33 H new ATOM 0 HG13 ILE A 42 4.537 7.427 -4.874 1.00 24.33 H new ATOM 0 HG21 ILE A 42 1.936 5.350 -3.077 1.00 71.03 H new ATOM 0 HG22 ILE A 42 0.930 5.107 -4.525 1.00 71.03 H new ATOM 0 HG23 ILE A 42 2.500 4.280 -4.383 1.00 71.03 H new ATOM 0 HD11 ILE A 42 5.162 7.164 -2.518 1.00 10.32 H new ATOM 0 HD12 ILE A 42 3.565 7.937 -2.654 1.00 10.32 H new ATOM 0 HD13 ILE A 42 3.687 6.216 -2.217 1.00 10.32 H new ATOM 694 N PHE A 43 3.009 3.849 -6.914 1.00 72.40 N ATOM 695 CA PHE A 43 3.759 2.660 -7.295 1.00 71.41 C ATOM 696 C PHE A 43 4.510 2.895 -8.599 1.00 22.43 C ATOM 697 O PHE A 43 5.618 2.406 -8.753 1.00 45.32 O ATOM 698 CB PHE A 43 2.825 1.448 -7.468 1.00 34.53 C ATOM 699 CG PHE A 43 3.180 0.535 -8.633 1.00 72.24 C ATOM 700 CD1 PHE A 43 2.567 0.727 -9.885 1.00 63.32 C ATOM 701 CD2 PHE A 43 4.181 -0.441 -8.497 1.00 10.12 C ATOM 702 CE1 PHE A 43 2.939 -0.063 -10.986 1.00 35.31 C ATOM 703 CE2 PHE A 43 4.563 -1.225 -9.598 1.00 64.02 C ATOM 704 CZ PHE A 43 3.940 -1.039 -10.844 1.00 50.23 C ATOM 0 H PHE A 43 2.014 3.681 -6.763 1.00 72.40 H new ATOM 0 HA PHE A 43 4.470 2.452 -6.495 1.00 71.41 H new ATOM 0 HB2 PHE A 43 2.837 0.863 -6.548 1.00 34.53 H new ATOM 0 HB3 PHE A 43 1.805 1.808 -7.604 1.00 34.53 H new ATOM 0 HD1 PHE A 43 1.807 1.485 -10.000 1.00 63.32 H new ATOM 0 HD2 PHE A 43 4.660 -0.589 -7.540 1.00 10.12 H new ATOM 0 HE1 PHE A 43 2.456 0.080 -11.941 1.00 35.31 H new ATOM 0 HE2 PHE A 43 5.336 -1.971 -9.487 1.00 64.02 H new ATOM 0 HZ PHE A 43 4.230 -1.645 -11.690 1.00 50.23 H new ATOM 714 N ASP A 44 3.891 3.610 -9.531 1.00 42.11 N ATOM 715 CA ASP A 44 4.478 3.867 -10.838 1.00 65.11 C ATOM 716 C ASP A 44 5.748 4.717 -10.754 1.00 22.14 C ATOM 717 O ASP A 44 6.572 4.699 -11.667 1.00 11.45 O ATOM 718 CB ASP A 44 3.414 4.454 -11.769 1.00 64.25 C ATOM 719 CG ASP A 44 3.481 3.790 -13.138 1.00 54.15 C ATOM 720 OD1 ASP A 44 3.000 2.642 -13.287 1.00 61.13 O ATOM 721 OD2 ASP A 44 3.986 4.431 -14.088 1.00 65.25 O ATOM 0 H ASP A 44 2.969 4.027 -9.401 1.00 42.11 H new ATOM 0 HA ASP A 44 4.811 2.921 -11.266 1.00 65.11 H new ATOM 0 HB2 ASP A 44 2.424 4.310 -11.336 1.00 64.25 H new ATOM 0 HB3 ASP A 44 3.564 5.529 -11.871 1.00 64.25 H new ATOM 726 N ASP A 45 5.848 5.579 -9.745 1.00 63.12 N ATOM 727 CA ASP A 45 7.010 6.427 -9.467 1.00 22.33 C ATOM 728 C ASP A 45 8.091 5.605 -8.743 1.00 53.12 C ATOM 729 O ASP A 45 9.280 5.652 -9.044 1.00 61.43 O ATOM 730 CB ASP A 45 6.592 7.635 -8.612 1.00 43.00 C ATOM 731 CG ASP A 45 6.079 8.796 -9.458 1.00 53.24 C ATOM 732 OD1 ASP A 45 6.577 9.937 -9.329 1.00 1.35 O ATOM 733 OD2 ASP A 45 5.133 8.605 -10.254 1.00 43.44 O ATOM 0 H ASP A 45 5.094 5.713 -9.071 1.00 63.12 H new ATOM 0 HA ASP A 45 7.418 6.795 -10.408 1.00 22.33 H new ATOM 0 HB2 ASP A 45 5.816 7.329 -7.911 1.00 43.00 H new ATOM 0 HB3 ASP A 45 7.443 7.969 -8.019 1.00 43.00 H new ATOM 738 N LEU A 46 7.636 4.862 -7.733 1.00 71.13 N ATOM 739 CA LEU A 46 8.348 3.989 -6.807 1.00 4.20 C ATOM 740 C LEU A 46 9.086 2.870 -7.517 1.00 50.53 C ATOM 741 O LEU A 46 10.264 2.642 -7.248 1.00 54.44 O ATOM 742 CB LEU A 46 7.290 3.402 -5.836 1.00 54.34 C ATOM 743 CG LEU A 46 7.652 2.391 -4.723 1.00 64.41 C ATOM 744 CD1 LEU A 46 8.262 1.069 -5.213 1.00 51.14 C ATOM 745 CD2 LEU A 46 8.468 2.990 -3.572 1.00 73.41 C ATOM 0 H LEU A 46 6.638 4.860 -7.522 1.00 71.13 H new ATOM 0 HA LEU A 46 9.107 4.564 -6.277 1.00 4.20 H new ATOM 0 HB2 LEU A 46 6.814 4.250 -5.344 1.00 54.34 H new ATOM 0 HB3 LEU A 46 6.530 2.925 -6.455 1.00 54.34 H new ATOM 0 HG LEU A 46 6.674 2.132 -4.318 1.00 64.41 H new ATOM 0 HD11 LEU A 46 8.480 0.430 -4.357 1.00 51.14 H new ATOM 0 HD12 LEU A 46 7.555 0.564 -5.872 1.00 51.14 H new ATOM 0 HD13 LEU A 46 9.184 1.273 -5.758 1.00 51.14 H new ATOM 0 HD21 LEU A 46 8.680 2.216 -2.835 1.00 73.41 H new ATOM 0 HD22 LEU A 46 9.406 3.388 -3.960 1.00 73.41 H new ATOM 0 HD23 LEU A 46 7.900 3.793 -3.102 1.00 73.41 H new ATOM 757 N ILE A 47 8.399 2.182 -8.419 1.00 65.31 N ATOM 758 CA ILE A 47 8.927 1.046 -9.154 1.00 72.53 C ATOM 759 C ILE A 47 10.207 1.400 -9.909 1.00 73.41 C ATOM 760 O ILE A 47 11.052 0.527 -10.079 1.00 11.11 O ATOM 761 CB ILE A 47 7.824 0.525 -10.104 1.00 22.35 C ATOM 762 CG1 ILE A 47 8.061 -0.915 -10.584 1.00 41.33 C ATOM 763 CG2 ILE A 47 7.558 1.483 -11.280 1.00 3.42 C ATOM 764 CD1 ILE A 47 8.860 -1.035 -11.875 1.00 42.41 C ATOM 0 H ILE A 47 7.435 2.406 -8.664 1.00 65.31 H new ATOM 0 HA ILE A 47 9.205 0.259 -8.453 1.00 72.53 H new ATOM 0 HB ILE A 47 6.916 0.497 -9.501 1.00 22.35 H new ATOM 0 HG12 ILE A 47 8.581 -1.464 -9.799 1.00 41.33 H new ATOM 0 HG13 ILE A 47 7.095 -1.400 -10.725 1.00 41.33 H new ATOM 0 HG21 ILE A 47 6.775 1.070 -11.916 1.00 3.42 H new ATOM 0 HG22 ILE A 47 7.239 2.452 -10.895 1.00 3.42 H new ATOM 0 HG23 ILE A 47 8.471 1.607 -11.862 1.00 3.42 H new ATOM 0 HD11 ILE A 47 8.976 -2.087 -12.134 1.00 42.41 H new ATOM 0 HD12 ILE A 47 8.333 -0.519 -12.678 1.00 42.41 H new ATOM 0 HD13 ILE A 47 9.843 -0.584 -11.738 1.00 42.41 H new ATOM 776 N ASP A 48 10.392 2.664 -10.303 1.00 65.14 N ATOM 777 CA ASP A 48 11.582 3.071 -11.061 1.00 14.41 C ATOM 778 C ASP A 48 12.860 2.705 -10.299 1.00 41.40 C ATOM 779 O ASP A 48 13.811 2.139 -10.832 1.00 40.45 O ATOM 780 CB ASP A 48 11.520 4.582 -11.305 1.00 33.22 C ATOM 781 CG ASP A 48 12.613 5.088 -12.251 1.00 50.52 C ATOM 782 OD1 ASP A 48 13.794 5.119 -11.859 1.00 24.14 O ATOM 783 OD2 ASP A 48 12.281 5.633 -13.335 1.00 24.41 O ATOM 0 H ASP A 48 9.736 3.421 -10.111 1.00 65.14 H new ATOM 0 HA ASP A 48 11.601 2.545 -12.016 1.00 14.41 H new ATOM 0 HB2 ASP A 48 10.544 4.836 -11.719 1.00 33.22 H new ATOM 0 HB3 ASP A 48 11.606 5.101 -10.350 1.00 33.22 H new ATOM 788 N PHE A 49 12.821 2.950 -8.989 1.00 64.04 N ATOM 789 CA PHE A 49 13.907 2.677 -8.056 1.00 11.02 C ATOM 790 C PHE A 49 14.232 1.174 -8.005 1.00 60.42 C ATOM 791 O PHE A 49 15.357 0.782 -7.678 1.00 11.51 O ATOM 792 CB PHE A 49 13.479 3.200 -6.681 1.00 3.11 C ATOM 793 CG PHE A 49 14.599 3.675 -5.776 1.00 72.44 C ATOM 794 CD1 PHE A 49 14.840 5.053 -5.623 1.00 75.20 C ATOM 795 CD2 PHE A 49 15.365 2.759 -5.037 1.00 5.23 C ATOM 796 CE1 PHE A 49 15.840 5.510 -4.751 1.00 64.21 C ATOM 797 CE2 PHE A 49 16.353 3.213 -4.146 1.00 24.31 C ATOM 798 CZ PHE A 49 16.597 4.589 -4.005 1.00 15.03 C ATOM 0 H PHE A 49 12.003 3.358 -8.536 1.00 64.04 H new ATOM 0 HA PHE A 49 14.818 3.179 -8.381 1.00 11.02 H new ATOM 0 HB2 PHE A 49 12.782 4.025 -6.828 1.00 3.11 H new ATOM 0 HB3 PHE A 49 12.933 2.409 -6.167 1.00 3.11 H new ATOM 0 HD1 PHE A 49 14.250 5.765 -6.181 1.00 75.20 H new ATOM 0 HD2 PHE A 49 15.194 1.699 -5.154 1.00 5.23 H new ATOM 0 HE1 PHE A 49 16.028 6.569 -4.653 1.00 64.21 H new ATOM 0 HE2 PHE A 49 16.926 2.502 -3.569 1.00 24.31 H new ATOM 0 HZ PHE A 49 17.362 4.938 -3.327 1.00 15.03 H new ATOM 808 N TYR A 50 13.230 0.313 -8.191 1.00 52.32 N ATOM 809 CA TYR A 50 13.373 -1.136 -8.220 1.00 14.24 C ATOM 810 C TYR A 50 14.051 -1.579 -9.524 1.00 34.42 C ATOM 811 O TYR A 50 14.755 -2.584 -9.548 1.00 21.54 O ATOM 812 CB TYR A 50 12.014 -1.811 -7.998 1.00 4.34 C ATOM 813 CG TYR A 50 11.864 -3.132 -8.709 1.00 63.53 C ATOM 814 CD1 TYR A 50 12.165 -4.331 -8.043 1.00 72.03 C ATOM 815 CD2 TYR A 50 11.423 -3.156 -10.044 1.00 52.01 C ATOM 816 CE1 TYR A 50 12.016 -5.553 -8.712 1.00 31.32 C ATOM 817 CE2 TYR A 50 11.298 -4.376 -10.727 1.00 41.42 C ATOM 818 CZ TYR A 50 11.575 -5.584 -10.056 1.00 3.51 C ATOM 819 OH TYR A 50 11.362 -6.769 -10.685 1.00 10.13 O ATOM 0 H TYR A 50 12.267 0.619 -8.330 1.00 52.32 H new ATOM 0 HA TYR A 50 14.021 -1.454 -7.403 1.00 14.24 H new ATOM 0 HB2 TYR A 50 11.867 -1.966 -6.929 1.00 4.34 H new ATOM 0 HB3 TYR A 50 11.226 -1.137 -8.334 1.00 4.34 H new ATOM 0 HD1 TYR A 50 12.510 -4.311 -7.020 1.00 72.03 H new ATOM 0 HD2 TYR A 50 11.179 -2.231 -10.546 1.00 52.01 H new ATOM 0 HE1 TYR A 50 12.239 -6.477 -8.199 1.00 31.32 H new ATOM 0 HE2 TYR A 50 10.991 -4.389 -11.762 1.00 41.42 H new ATOM 0 HH TYR A 50 11.460 -7.503 -10.043 1.00 10.13 H new ATOM 829 N GLU A 51 13.834 -0.865 -10.627 1.00 61.51 N ATOM 830 CA GLU A 51 14.445 -1.230 -11.909 1.00 12.51 C ATOM 831 C GLU A 51 15.928 -0.844 -11.896 1.00 34.44 C ATOM 832 O GLU A 51 16.701 -1.293 -12.741 1.00 40.30 O ATOM 833 CB GLU A 51 13.645 -0.669 -13.092 1.00 71.11 C ATOM 834 CG GLU A 51 12.198 -1.180 -12.995 1.00 23.42 C ATOM 835 CD GLU A 51 11.335 -1.076 -14.250 1.00 23.31 C ATOM 836 OE1 GLU A 51 10.544 -2.014 -14.508 1.00 32.43 O ATOM 837 OE2 GLU A 51 11.386 -0.044 -14.953 1.00 33.11 O ATOM 0 H GLU A 51 13.243 -0.034 -10.662 1.00 61.51 H new ATOM 0 HA GLU A 51 14.408 -2.310 -12.048 1.00 12.51 H new ATOM 0 HB2 GLU A 51 13.663 0.421 -13.077 1.00 71.11 H new ATOM 0 HB3 GLU A 51 14.094 -0.982 -14.034 1.00 71.11 H new ATOM 0 HG2 GLU A 51 12.229 -2.227 -12.692 1.00 23.42 H new ATOM 0 HG3 GLU A 51 11.699 -0.632 -12.196 1.00 23.42 H new ATOM 844 N ARG A 52 16.340 -0.037 -10.912 1.00 63.10 N ATOM 845 CA ARG A 52 17.717 0.385 -10.704 1.00 0.42 C ATOM 846 C ARG A 52 18.508 -0.768 -10.077 1.00 64.34 C ATOM 847 O ARG A 52 19.737 -0.706 -10.031 1.00 63.05 O ATOM 848 CB ARG A 52 17.754 1.637 -9.805 1.00 51.53 C ATOM 849 CG ARG A 52 18.294 2.865 -10.526 1.00 42.35 C ATOM 850 CD ARG A 52 17.373 3.349 -11.653 1.00 22.25 C ATOM 851 NE ARG A 52 18.068 4.401 -12.395 1.00 14.13 N ATOM 852 CZ ARG A 52 17.623 5.620 -12.699 1.00 22.20 C ATOM 853 NH1 ARG A 52 16.345 5.955 -12.562 1.00 54.04 N ATOM 854 NH2 ARG A 52 18.507 6.502 -13.141 1.00 34.24 N ATOM 0 H ARG A 52 15.698 0.349 -10.220 1.00 63.10 H new ATOM 0 HA ARG A 52 18.174 0.644 -11.659 1.00 0.42 H new ATOM 0 HB2 ARG A 52 16.748 1.848 -9.442 1.00 51.53 H new ATOM 0 HB3 ARG A 52 18.373 1.433 -8.931 1.00 51.53 H new ATOM 0 HG2 ARG A 52 18.433 3.671 -9.806 1.00 42.35 H new ATOM 0 HG3 ARG A 52 19.276 2.635 -10.940 1.00 42.35 H new ATOM 0 HD2 ARG A 52 17.118 2.522 -12.316 1.00 22.25 H new ATOM 0 HD3 ARG A 52 16.438 3.729 -11.242 1.00 22.25 H new ATOM 0 HE ARG A 52 19.008 4.174 -12.719 1.00 14.13 H new ATOM 0 HH11 ARG A 52 15.673 5.271 -12.215 1.00 54.04 H new ATOM 0 HH12 ARG A 52 16.036 6.897 -12.803 1.00 54.04 H new ATOM 0 HH21 ARG A 52 19.487 6.237 -13.238 1.00 34.24 H new ATOM 0 HH22 ARG A 52 18.207 7.446 -13.385 1.00 34.24 H new ATOM 868 N LEU A 53 17.843 -1.777 -9.497 1.00 2.45 N ATOM 869 CA LEU A 53 18.514 -2.916 -8.911 1.00 4.23 C ATOM 870 C LEU A 53 19.057 -3.758 -10.052 1.00 1.31 C ATOM 871 O LEU A 53 18.333 -4.082 -10.993 1.00 15.10 O ATOM 872 CB LEU A 53 17.525 -3.775 -8.104 1.00 54.12 C ATOM 873 CG LEU A 53 16.604 -2.998 -7.149 1.00 41.45 C ATOM 874 CD1 LEU A 53 15.506 -3.942 -6.651 1.00 3.04 C ATOM 875 CD2 LEU A 53 17.368 -2.294 -6.036 1.00 63.13 C ATOM 0 H LEU A 53 16.826 -1.814 -9.428 1.00 2.45 H new ATOM 0 HA LEU A 53 19.305 -2.573 -8.244 1.00 4.23 H new ATOM 0 HB2 LEU A 53 16.905 -4.338 -8.802 1.00 54.12 H new ATOM 0 HB3 LEU A 53 18.092 -4.503 -7.523 1.00 54.12 H new ATOM 0 HG LEU A 53 16.128 -2.180 -7.689 1.00 41.45 H new ATOM 0 HD11 LEU A 53 14.844 -3.404 -5.972 1.00 3.04 H new ATOM 0 HD12 LEU A 53 14.932 -4.312 -7.500 1.00 3.04 H new ATOM 0 HD13 LEU A 53 15.959 -4.783 -6.126 1.00 3.04 H new ATOM 0 HD21 LEU A 53 16.667 -1.762 -5.393 1.00 63.13 H new ATOM 0 HD22 LEU A 53 17.913 -3.031 -5.446 1.00 63.13 H new ATOM 0 HD23 LEU A 53 18.072 -1.584 -6.470 1.00 63.13 H new ATOM 887 N ASP A 54 20.332 -4.108 -9.974 1.00 64.32 N ATOM 888 CA ASP A 54 20.970 -4.950 -10.979 1.00 23.21 C ATOM 889 C ASP A 54 20.582 -6.409 -10.722 1.00 71.21 C ATOM 890 O ASP A 54 20.610 -7.254 -11.615 1.00 73.42 O ATOM 891 CB ASP A 54 22.484 -4.763 -10.886 1.00 42.01 C ATOM 892 CG ASP A 54 23.255 -5.835 -11.660 1.00 41.31 C ATOM 893 OD1 ASP A 54 23.085 -5.963 -12.897 1.00 50.51 O ATOM 894 OD2 ASP A 54 24.028 -6.584 -11.023 1.00 64.45 O ATOM 0 H ASP A 54 20.952 -3.819 -9.217 1.00 64.32 H new ATOM 0 HA ASP A 54 20.643 -4.674 -11.981 1.00 23.21 H new ATOM 0 HB2 ASP A 54 22.750 -3.779 -11.272 1.00 42.01 H new ATOM 0 HB3 ASP A 54 22.786 -4.787 -9.839 1.00 42.01 H new ATOM 899 N THR A 55 20.159 -6.700 -9.497 1.00 32.41 N ATOM 900 CA THR A 55 19.744 -8.003 -9.022 1.00 52.45 C ATOM 901 C THR A 55 18.386 -7.860 -8.318 1.00 62.33 C ATOM 902 O THR A 55 18.301 -7.967 -7.092 1.00 71.42 O ATOM 903 CB THR A 55 20.897 -8.590 -8.177 1.00 13.42 C ATOM 904 OG1 THR A 55 21.673 -7.598 -7.502 1.00 5.31 O ATOM 905 CG2 THR A 55 21.866 -9.367 -9.069 1.00 65.30 C ATOM 0 H THR A 55 20.095 -5.987 -8.771 1.00 32.41 H new ATOM 0 HA THR A 55 19.569 -8.725 -9.819 1.00 52.45 H new ATOM 0 HB THR A 55 20.412 -9.227 -7.437 1.00 13.42 H new ATOM 0 HG1 THR A 55 22.383 -8.034 -6.985 1.00 5.31 H new ATOM 0 HG21 THR A 55 22.673 -9.775 -8.461 1.00 65.30 H new ATOM 0 HG22 THR A 55 21.334 -10.182 -9.560 1.00 65.30 H new ATOM 0 HG23 THR A 55 22.282 -8.699 -9.823 1.00 65.30 H new ATOM 913 N PRO A 56 17.305 -7.602 -9.081 1.00 62.22 N ATOM 914 CA PRO A 56 15.972 -7.450 -8.524 1.00 65.03 C ATOM 915 C PRO A 56 15.510 -8.777 -7.898 1.00 2.30 C ATOM 916 O PRO A 56 15.503 -9.801 -8.593 1.00 45.21 O ATOM 917 CB PRO A 56 15.080 -7.025 -9.692 1.00 20.14 C ATOM 918 CG PRO A 56 15.809 -7.503 -10.940 1.00 71.12 C ATOM 919 CD PRO A 56 17.275 -7.447 -10.532 1.00 0.14 C ATOM 0 HA PRO A 56 15.935 -6.707 -7.727 1.00 65.03 H new ATOM 0 HB2 PRO A 56 14.090 -7.475 -9.617 1.00 20.14 H new ATOM 0 HB3 PRO A 56 14.938 -5.944 -9.707 1.00 20.14 H new ATOM 0 HG2 PRO A 56 15.508 -8.512 -11.220 1.00 71.12 H new ATOM 0 HG3 PRO A 56 15.605 -6.860 -11.796 1.00 71.12 H new ATOM 0 HD2 PRO A 56 17.844 -8.239 -11.019 1.00 0.14 H new ATOM 0 HD3 PRO A 56 17.725 -6.501 -10.831 1.00 0.14 H new ATOM 927 N PRO A 57 15.091 -8.793 -6.619 1.00 31.40 N ATOM 928 CA PRO A 57 14.644 -10.011 -5.959 1.00 12.11 C ATOM 929 C PRO A 57 13.276 -10.469 -6.475 1.00 34.44 C ATOM 930 O PRO A 57 13.138 -11.625 -6.873 1.00 1.43 O ATOM 931 CB PRO A 57 14.621 -9.683 -4.462 1.00 44.50 C ATOM 932 CG PRO A 57 14.401 -8.170 -4.413 1.00 0.22 C ATOM 933 CD PRO A 57 15.062 -7.666 -5.695 1.00 51.42 C ATOM 0 HA PRO A 57 15.312 -10.847 -6.166 1.00 12.11 H new ATOM 0 HB2 PRO A 57 13.822 -10.218 -3.949 1.00 44.50 H new ATOM 0 HB3 PRO A 57 15.556 -9.965 -3.978 1.00 44.50 H new ATOM 0 HG2 PRO A 57 13.340 -7.920 -4.385 1.00 0.22 H new ATOM 0 HG3 PRO A 57 14.856 -7.728 -3.527 1.00 0.22 H new ATOM 0 HD2 PRO A 57 14.502 -6.832 -6.118 1.00 51.42 H new ATOM 0 HD3 PRO A 57 16.070 -7.303 -5.494 1.00 51.42 H new ATOM 941 N PHE A 58 12.252 -9.616 -6.391 1.00 13.33 N ATOM 942 CA PHE A 58 10.886 -9.893 -6.829 1.00 63.24 C ATOM 943 C PHE A 58 10.564 -9.257 -8.187 1.00 5.34 C ATOM 944 O PHE A 58 11.422 -8.640 -8.820 1.00 74.50 O ATOM 945 CB PHE A 58 9.907 -9.450 -5.725 1.00 42.14 C ATOM 946 CG PHE A 58 9.234 -10.616 -5.037 1.00 75.34 C ATOM 947 CD1 PHE A 58 8.126 -11.227 -5.651 1.00 51.24 C ATOM 948 CD2 PHE A 58 9.724 -11.120 -3.816 1.00 71.23 C ATOM 949 CE1 PHE A 58 7.530 -12.349 -5.063 1.00 24.32 C ATOM 950 CE2 PHE A 58 9.123 -12.248 -3.228 1.00 34.12 C ATOM 951 CZ PHE A 58 8.034 -12.872 -3.862 1.00 35.31 C ATOM 0 H PHE A 58 12.358 -8.679 -6.001 1.00 13.33 H new ATOM 0 HA PHE A 58 10.778 -10.966 -6.987 1.00 63.24 H new ATOM 0 HB2 PHE A 58 10.445 -8.858 -4.984 1.00 42.14 H new ATOM 0 HB3 PHE A 58 9.146 -8.802 -6.159 1.00 42.14 H new ATOM 0 HD1 PHE A 58 7.735 -10.831 -6.576 1.00 51.24 H new ATOM 0 HD2 PHE A 58 10.561 -10.640 -3.331 1.00 71.23 H new ATOM 0 HE1 PHE A 58 6.678 -12.815 -5.536 1.00 24.32 H new ATOM 0 HE2 PHE A 58 9.497 -12.634 -2.291 1.00 34.12 H new ATOM 0 HZ PHE A 58 7.586 -13.752 -3.425 1.00 35.31 H new ATOM 961 N SER A 59 9.382 -9.562 -8.720 1.00 34.43 N ATOM 962 CA SER A 59 8.829 -9.037 -9.960 1.00 42.32 C ATOM 963 C SER A 59 7.992 -7.785 -9.656 1.00 73.42 C ATOM 964 O SER A 59 7.138 -7.829 -8.766 1.00 43.12 O ATOM 965 CB SER A 59 7.999 -10.135 -10.624 1.00 50.53 C ATOM 966 OG SER A 59 8.843 -11.171 -11.116 1.00 12.13 O ATOM 0 H SER A 59 8.750 -10.222 -8.268 1.00 34.43 H new ATOM 0 HA SER A 59 9.621 -8.741 -10.648 1.00 42.32 H new ATOM 0 HB2 SER A 59 7.289 -10.546 -9.906 1.00 50.53 H new ATOM 0 HB3 SER A 59 7.416 -9.713 -11.443 1.00 50.53 H new ATOM 0 HG SER A 59 8.296 -11.867 -11.537 1.00 12.13 H new ATOM 972 N LYS A 60 8.132 -6.701 -10.434 1.00 24.32 N ATOM 973 CA LYS A 60 7.355 -5.465 -10.230 1.00 31.21 C ATOM 974 C LYS A 60 5.853 -5.705 -10.223 1.00 63.23 C ATOM 975 O LYS A 60 5.140 -5.071 -9.444 1.00 31.33 O ATOM 976 CB LYS A 60 7.754 -4.344 -11.202 1.00 63.10 C ATOM 977 CG LYS A 60 7.958 -4.694 -12.690 1.00 70.11 C ATOM 978 CD LYS A 60 6.860 -4.189 -13.639 1.00 20.23 C ATOM 979 CE LYS A 60 7.002 -2.675 -13.856 1.00 55.20 C ATOM 980 NZ LYS A 60 6.135 -2.129 -14.916 1.00 53.35 N ATOM 0 H LYS A 60 8.782 -6.654 -11.218 1.00 24.32 H new ATOM 0 HA LYS A 60 7.617 -5.117 -9.231 1.00 31.21 H new ATOM 0 HB2 LYS A 60 6.989 -3.570 -11.146 1.00 63.10 H new ATOM 0 HB3 LYS A 60 8.681 -3.903 -10.836 1.00 63.10 H new ATOM 0 HG2 LYS A 60 8.914 -4.283 -13.015 1.00 70.11 H new ATOM 0 HG3 LYS A 60 8.028 -5.778 -12.785 1.00 70.11 H new ATOM 0 HD2 LYS A 60 6.928 -4.709 -14.595 1.00 20.23 H new ATOM 0 HD3 LYS A 60 5.878 -4.414 -13.223 1.00 20.23 H new ATOM 0 HE2 LYS A 60 6.778 -2.163 -12.920 1.00 55.20 H new ATOM 0 HE3 LYS A 60 8.040 -2.451 -14.101 1.00 55.20 H new ATOM 0 HZ1 LYS A 60 6.291 -1.104 -14.999 1.00 53.35 H new ATOM 0 HZ2 LYS A 60 6.362 -2.588 -15.821 1.00 53.35 H new ATOM 0 HZ3 LYS A 60 5.139 -2.309 -14.677 1.00 53.35 H new ATOM 994 N LYS A 61 5.368 -6.635 -11.046 1.00 50.02 N ATOM 995 CA LYS A 61 3.953 -6.971 -11.097 1.00 0.41 C ATOM 996 C LYS A 61 3.486 -7.411 -9.701 1.00 25.22 C ATOM 997 O LYS A 61 2.412 -7.002 -9.257 1.00 52.21 O ATOM 998 CB LYS A 61 3.779 -8.061 -12.159 1.00 40.50 C ATOM 999 CG LYS A 61 2.317 -8.460 -12.359 1.00 22.53 C ATOM 1000 CD LYS A 61 2.211 -9.652 -13.314 1.00 2.30 C ATOM 1001 CE LYS A 61 2.629 -9.355 -14.759 1.00 73.34 C ATOM 1002 NZ LYS A 61 1.709 -8.426 -15.438 1.00 41.02 N ATOM 0 H LYS A 61 5.946 -7.172 -11.692 1.00 50.02 H new ATOM 0 HA LYS A 61 3.335 -6.117 -11.376 1.00 0.41 H new ATOM 0 HB2 LYS A 61 4.188 -7.709 -13.106 1.00 40.50 H new ATOM 0 HB3 LYS A 61 4.355 -8.940 -11.870 1.00 40.50 H new ATOM 0 HG2 LYS A 61 1.869 -8.715 -11.399 1.00 22.53 H new ATOM 0 HG3 LYS A 61 1.755 -7.616 -12.758 1.00 22.53 H new ATOM 0 HD2 LYS A 61 2.830 -10.463 -12.931 1.00 2.30 H new ATOM 0 HD3 LYS A 61 1.181 -10.009 -13.314 1.00 2.30 H new ATOM 0 HE2 LYS A 61 3.634 -8.932 -14.763 1.00 73.34 H new ATOM 0 HE3 LYS A 61 2.674 -10.289 -15.319 1.00 73.34 H new ATOM 0 HZ1 LYS A 61 2.029 -8.273 -16.416 1.00 41.02 H new ATOM 0 HZ2 LYS A 61 0.751 -8.830 -15.446 1.00 41.02 H new ATOM 0 HZ3 LYS A 61 1.697 -7.517 -14.932 1.00 41.02 H new ATOM 1016 N SER A 62 4.282 -8.226 -9.006 1.00 45.34 N ATOM 1017 CA SER A 62 3.997 -8.728 -7.670 1.00 51.21 C ATOM 1018 C SER A 62 4.066 -7.587 -6.648 1.00 31.31 C ATOM 1019 O SER A 62 3.171 -7.488 -5.810 1.00 54.30 O ATOM 1020 CB SER A 62 4.983 -9.851 -7.331 1.00 21.51 C ATOM 1021 OG SER A 62 5.154 -10.712 -8.447 1.00 50.31 O ATOM 0 H SER A 62 5.171 -8.563 -9.374 1.00 45.34 H new ATOM 0 HA SER A 62 2.986 -9.135 -7.635 1.00 51.21 H new ATOM 0 HB2 SER A 62 5.944 -9.425 -7.041 1.00 21.51 H new ATOM 0 HB3 SER A 62 4.616 -10.420 -6.477 1.00 21.51 H new ATOM 0 HG SER A 62 5.787 -11.424 -8.217 1.00 50.31 H new ATOM 1027 N LEU A 63 5.072 -6.699 -6.739 1.00 63.23 N ATOM 1028 CA LEU A 63 5.243 -5.548 -5.837 1.00 33.34 C ATOM 1029 C LEU A 63 3.948 -4.727 -5.833 1.00 30.42 C ATOM 1030 O LEU A 63 3.387 -4.457 -4.771 1.00 41.22 O ATOM 1031 CB LEU A 63 6.520 -4.754 -6.207 1.00 54.45 C ATOM 1032 CG LEU A 63 6.756 -3.431 -5.429 1.00 4.33 C ATOM 1033 CD1 LEU A 63 8.163 -3.308 -4.823 1.00 20.32 C ATOM 1034 CD2 LEU A 63 6.555 -2.203 -6.330 1.00 14.03 C ATOM 0 H LEU A 63 5.799 -6.762 -7.452 1.00 63.23 H new ATOM 0 HA LEU A 63 5.408 -5.871 -4.809 1.00 33.34 H new ATOM 0 HB2 LEU A 63 7.383 -5.401 -6.051 1.00 54.45 H new ATOM 0 HB3 LEU A 63 6.483 -4.523 -7.272 1.00 54.45 H new ATOM 0 HG LEU A 63 6.022 -3.463 -4.624 1.00 4.33 H new ATOM 0 HD11 LEU A 63 8.250 -2.358 -4.296 1.00 20.32 H new ATOM 0 HD12 LEU A 63 8.331 -4.127 -4.124 1.00 20.32 H new ATOM 0 HD13 LEU A 63 8.907 -3.351 -5.619 1.00 20.32 H new ATOM 0 HD21 LEU A 63 6.728 -1.295 -5.752 1.00 14.03 H new ATOM 0 HD22 LEU A 63 7.258 -2.243 -7.162 1.00 14.03 H new ATOM 0 HD23 LEU A 63 5.536 -2.198 -6.716 1.00 14.03 H new ATOM 1046 N ARG A 64 3.417 -4.414 -7.019 1.00 63.41 N ATOM 1047 CA ARG A 64 2.177 -3.655 -7.183 1.00 23.34 C ATOM 1048 C ARG A 64 0.980 -4.355 -6.540 1.00 71.51 C ATOM 1049 O ARG A 64 0.112 -3.685 -5.972 1.00 12.20 O ATOM 1050 CB ARG A 64 1.947 -3.473 -8.697 1.00 4.15 C ATOM 1051 CG ARG A 64 0.647 -2.798 -9.161 1.00 44.21 C ATOM 1052 CD ARG A 64 0.348 -1.445 -8.505 1.00 61.53 C ATOM 1053 NE ARG A 64 -0.336 -0.540 -9.447 1.00 15.11 N ATOM 1054 CZ ARG A 64 -0.968 0.602 -9.158 1.00 1.45 C ATOM 1055 NH1 ARG A 64 -1.029 1.058 -7.909 1.00 71.32 N ATOM 1056 NH2 ARG A 64 -1.537 1.291 -10.137 1.00 14.33 N ATOM 0 H ARG A 64 3.844 -4.686 -7.904 1.00 63.41 H new ATOM 0 HA ARG A 64 2.272 -2.693 -6.680 1.00 23.34 H new ATOM 0 HB2 ARG A 64 2.782 -2.894 -9.093 1.00 4.15 H new ATOM 0 HB3 ARG A 64 1.994 -4.458 -9.161 1.00 4.15 H new ATOM 0 HG2 ARG A 64 0.694 -2.658 -10.241 1.00 44.21 H new ATOM 0 HG3 ARG A 64 -0.186 -3.473 -8.962 1.00 44.21 H new ATOM 0 HD2 ARG A 64 -0.274 -1.594 -7.622 1.00 61.53 H new ATOM 0 HD3 ARG A 64 1.278 -0.988 -8.166 1.00 61.53 H new ATOM 0 HE ARG A 64 -0.326 -0.816 -10.429 1.00 15.11 H new ATOM 0 HH11 ARG A 64 -0.589 0.534 -7.153 1.00 71.32 H new ATOM 0 HH12 ARG A 64 -1.516 1.932 -7.708 1.00 71.32 H new ATOM 0 HH21 ARG A 64 -1.489 0.948 -11.096 1.00 14.33 H new ATOM 0 HH22 ARG A 64 -2.023 2.164 -9.931 1.00 14.33 H new ATOM 1070 N GLU A 65 0.894 -5.678 -6.673 1.00 74.52 N ATOM 1071 CA GLU A 65 -0.214 -6.440 -6.121 1.00 13.44 C ATOM 1072 C GLU A 65 -0.178 -6.480 -4.592 1.00 32.15 C ATOM 1073 O GLU A 65 -1.200 -6.241 -3.948 1.00 20.04 O ATOM 1074 CB GLU A 65 -0.211 -7.858 -6.699 1.00 33.45 C ATOM 1075 CG GLU A 65 -1.552 -8.549 -6.432 1.00 11.12 C ATOM 1076 CD GLU A 65 -1.427 -10.057 -6.475 1.00 72.14 C ATOM 1077 OE1 GLU A 65 -1.019 -10.631 -5.438 1.00 51.33 O ATOM 1078 OE2 GLU A 65 -1.684 -10.629 -7.562 1.00 24.44 O ATOM 0 H GLU A 65 1.587 -6.244 -7.163 1.00 74.52 H new ATOM 0 HA GLU A 65 -1.139 -5.938 -6.405 1.00 13.44 H new ATOM 0 HB2 GLU A 65 -0.022 -7.819 -7.772 1.00 33.45 H new ATOM 0 HB3 GLU A 65 0.598 -8.437 -6.254 1.00 33.45 H new ATOM 0 HG2 GLU A 65 -1.930 -8.244 -5.456 1.00 11.12 H new ATOM 0 HG3 GLU A 65 -2.282 -8.224 -7.173 1.00 11.12 H new ATOM 1085 N ALA A 66 0.976 -6.778 -3.988 1.00 71.00 N ATOM 1086 CA ALA A 66 1.085 -6.858 -2.536 1.00 2.35 C ATOM 1087 C ALA A 66 0.737 -5.511 -1.893 1.00 2.01 C ATOM 1088 O ALA A 66 0.002 -5.486 -0.908 1.00 35.01 O ATOM 1089 CB ALA A 66 2.473 -7.344 -2.131 1.00 31.20 C ATOM 0 H ALA A 66 1.846 -6.967 -4.486 1.00 71.00 H new ATOM 0 HA ALA A 66 0.364 -7.588 -2.168 1.00 2.35 H new ATOM 0 HB1 ALA A 66 2.537 -7.398 -1.044 1.00 31.20 H new ATOM 0 HB2 ALA A 66 2.650 -8.333 -2.554 1.00 31.20 H new ATOM 0 HB3 ALA A 66 3.225 -6.649 -2.505 1.00 31.20 H new ATOM 1095 N LEU A 67 1.188 -4.395 -2.480 1.00 3.33 N ATOM 1096 CA LEU A 67 0.924 -3.032 -1.999 1.00 23.40 C ATOM 1097 C LEU A 67 -0.595 -2.783 -1.934 1.00 34.51 C ATOM 1098 O LEU A 67 -1.081 -1.972 -1.139 1.00 30.24 O ATOM 1099 CB LEU A 67 1.633 -2.034 -2.947 1.00 33.25 C ATOM 1100 CG LEU A 67 2.318 -0.826 -2.274 1.00 13.43 C ATOM 1101 CD1 LEU A 67 3.251 -0.135 -3.285 1.00 65.22 C ATOM 1102 CD2 LEU A 67 1.331 0.232 -1.771 1.00 4.52 C ATOM 0 H LEU A 67 1.761 -4.415 -3.324 1.00 3.33 H new ATOM 0 HA LEU A 67 1.315 -2.896 -0.991 1.00 23.40 H new ATOM 0 HB2 LEU A 67 2.384 -2.579 -3.519 1.00 33.25 H new ATOM 0 HB3 LEU A 67 0.899 -1.659 -3.660 1.00 33.25 H new ATOM 0 HG LEU A 67 2.859 -1.226 -1.416 1.00 13.43 H new ATOM 0 HD11 LEU A 67 3.735 0.718 -2.809 1.00 65.22 H new ATOM 0 HD12 LEU A 67 4.010 -0.841 -3.621 1.00 65.22 H new ATOM 0 HD13 LEU A 67 2.670 0.208 -4.141 1.00 65.22 H new ATOM 0 HD21 LEU A 67 1.881 1.052 -1.309 1.00 4.52 H new ATOM 0 HD22 LEU A 67 0.747 0.613 -2.609 1.00 4.52 H new ATOM 0 HD23 LEU A 67 0.662 -0.215 -1.036 1.00 4.52 H new ATOM 1114 N SER A 68 -1.380 -3.476 -2.773 1.00 44.20 N ATOM 1115 CA SER A 68 -2.827 -3.332 -2.784 1.00 40.50 C ATOM 1116 C SER A 68 -3.443 -3.901 -1.505 1.00 31.24 C ATOM 1117 O SER A 68 -4.482 -3.400 -1.085 1.00 24.21 O ATOM 1118 CB SER A 68 -3.440 -3.977 -4.035 1.00 33.11 C ATOM 1119 OG SER A 68 -4.655 -3.329 -4.376 1.00 33.04 O ATOM 0 H SER A 68 -1.024 -4.145 -3.455 1.00 44.20 H new ATOM 0 HA SER A 68 -3.058 -2.267 -2.819 1.00 40.50 H new ATOM 0 HB2 SER A 68 -2.739 -3.912 -4.867 1.00 33.11 H new ATOM 0 HB3 SER A 68 -3.623 -5.036 -3.854 1.00 33.11 H new ATOM 0 HG SER A 68 -5.036 -3.748 -5.176 1.00 33.04 H new ATOM 1125 N TYR A 69 -2.858 -4.945 -0.904 1.00 1.54 N ATOM 1126 CA TYR A 69 -3.391 -5.528 0.324 1.00 2.35 C ATOM 1127 C TYR A 69 -3.293 -4.502 1.450 1.00 13.30 C ATOM 1128 O TYR A 69 -4.269 -4.311 2.174 1.00 51.13 O ATOM 1129 CB TYR A 69 -2.691 -6.845 0.681 1.00 50.10 C ATOM 1130 CG TYR A 69 -3.603 -8.053 0.587 1.00 51.24 C ATOM 1131 CD1 TYR A 69 -3.969 -8.756 1.749 1.00 71.54 C ATOM 1132 CD2 TYR A 69 -4.067 -8.492 -0.668 1.00 73.42 C ATOM 1133 CE1 TYR A 69 -4.761 -9.913 1.662 1.00 33.41 C ATOM 1134 CE2 TYR A 69 -4.870 -9.643 -0.759 1.00 53.13 C ATOM 1135 CZ TYR A 69 -5.212 -10.369 0.405 1.00 43.11 C ATOM 1136 OH TYR A 69 -5.973 -11.493 0.306 1.00 45.53 O ATOM 0 H TYR A 69 -2.014 -5.400 -1.252 1.00 1.54 H new ATOM 0 HA TYR A 69 -4.440 -5.780 0.171 1.00 2.35 H new ATOM 0 HB2 TYR A 69 -1.840 -6.988 0.015 1.00 50.10 H new ATOM 0 HB3 TYR A 69 -2.295 -6.775 1.694 1.00 50.10 H new ATOM 0 HD1 TYR A 69 -3.639 -8.404 2.715 1.00 71.54 H new ATOM 0 HD2 TYR A 69 -3.806 -7.944 -1.561 1.00 73.42 H new ATOM 0 HE1 TYR A 69 -5.025 -10.454 2.558 1.00 33.41 H new ATOM 0 HE2 TYR A 69 -5.227 -9.974 -1.723 1.00 53.13 H new ATOM 0 HH TYR A 69 -6.194 -11.657 -0.635 1.00 45.53 H new ATOM 1146 N TYR A 70 -2.144 -3.832 1.588 1.00 14.23 N ATOM 1147 CA TYR A 70 -1.932 -2.804 2.606 1.00 1.43 C ATOM 1148 C TYR A 70 -2.913 -1.657 2.356 1.00 22.42 C ATOM 1149 O TYR A 70 -3.568 -1.168 3.276 1.00 62.25 O ATOM 1150 CB TYR A 70 -0.480 -2.307 2.557 1.00 61.11 C ATOM 1151 CG TYR A 70 0.404 -2.837 3.669 1.00 23.14 C ATOM 1152 CD1 TYR A 70 0.425 -4.208 3.995 1.00 42.43 C ATOM 1153 CD2 TYR A 70 1.209 -1.939 4.393 1.00 41.21 C ATOM 1154 CE1 TYR A 70 1.231 -4.674 5.047 1.00 2.14 C ATOM 1155 CE2 TYR A 70 2.010 -2.394 5.452 1.00 71.42 C ATOM 1156 CZ TYR A 70 2.026 -3.766 5.782 1.00 15.31 C ATOM 1157 OH TYR A 70 2.807 -4.184 6.812 1.00 60.11 O ATOM 0 H TYR A 70 -1.332 -3.991 0.992 1.00 14.23 H new ATOM 0 HA TYR A 70 -2.110 -3.217 3.599 1.00 1.43 H new ATOM 0 HB2 TYR A 70 -0.045 -2.589 1.598 1.00 61.11 H new ATOM 0 HB3 TYR A 70 -0.481 -1.218 2.598 1.00 61.11 H new ATOM 0 HD1 TYR A 70 -0.181 -4.903 3.434 1.00 42.43 H new ATOM 0 HD2 TYR A 70 1.211 -0.891 4.132 1.00 41.21 H new ATOM 0 HE1 TYR A 70 1.243 -5.725 5.294 1.00 2.14 H new ATOM 0 HE2 TYR A 70 2.613 -1.695 6.013 1.00 71.42 H new ATOM 0 HH TYR A 70 2.797 -3.511 7.524 1.00 60.11 H new ATOM 1167 N SER A 71 -3.079 -1.268 1.095 1.00 74.34 N ATOM 1168 CA SER A 71 -3.991 -0.207 0.690 1.00 60.04 C ATOM 1169 C SER A 71 -5.471 -0.620 0.852 1.00 1.02 C ATOM 1170 O SER A 71 -6.372 0.180 0.589 1.00 53.52 O ATOM 1171 CB SER A 71 -3.663 0.198 -0.743 1.00 64.51 C ATOM 1172 OG SER A 71 -2.279 0.492 -0.891 1.00 44.22 O ATOM 0 H SER A 71 -2.575 -1.689 0.315 1.00 74.34 H new ATOM 0 HA SER A 71 -3.854 0.653 1.346 1.00 60.04 H new ATOM 0 HB2 SER A 71 -3.941 -0.607 -1.424 1.00 64.51 H new ATOM 0 HB3 SER A 71 -4.254 1.070 -1.022 1.00 64.51 H new ATOM 0 HG SER A 71 -1.765 -0.343 -0.889 1.00 44.22 H new ATOM 1178 N ALA A 72 -5.736 -1.867 1.245 1.00 52.21 N ATOM 1179 CA ALA A 72 -7.035 -2.467 1.503 1.00 62.14 C ATOM 1180 C ALA A 72 -7.089 -2.917 2.974 1.00 71.51 C ATOM 1181 O ALA A 72 -7.955 -3.720 3.345 1.00 10.12 O ATOM 1182 CB ALA A 72 -7.294 -3.612 0.518 1.00 54.34 C ATOM 0 H ALA A 72 -4.981 -2.534 1.402 1.00 52.21 H new ATOM 0 HA ALA A 72 -7.833 -1.741 1.346 1.00 62.14 H new ATOM 0 HB1 ALA A 72 -8.270 -4.053 0.721 1.00 54.34 H new ATOM 0 HB2 ALA A 72 -7.276 -3.226 -0.501 1.00 54.34 H new ATOM 0 HB3 ALA A 72 -6.521 -4.372 0.632 1.00 54.34 H new ATOM 1188 N SER A 73 -6.129 -2.480 3.803 1.00 41.34 N ATOM 1189 CA SER A 73 -6.104 -2.845 5.214 1.00 24.14 C ATOM 1190 C SER A 73 -7.339 -2.250 5.897 1.00 41.03 C ATOM 1191 O SER A 73 -7.887 -1.258 5.400 1.00 60.12 O ATOM 1192 CB SER A 73 -4.781 -2.425 5.870 1.00 13.20 C ATOM 1193 OG SER A 73 -4.493 -1.050 5.720 1.00 5.44 O ATOM 0 H SER A 73 -5.362 -1.873 3.513 1.00 41.34 H new ATOM 0 HA SER A 73 -6.149 -3.928 5.326 1.00 24.14 H new ATOM 0 HB2 SER A 73 -4.817 -2.667 6.932 1.00 13.20 H new ATOM 0 HB3 SER A 73 -3.968 -3.008 5.438 1.00 13.20 H new ATOM 0 HG SER A 73 -3.897 -0.922 4.952 1.00 5.44 H new ATOM 1199 N PRO A 74 -7.795 -2.815 7.027 1.00 24.21 N ATOM 1200 CA PRO A 74 -8.972 -2.292 7.690 1.00 3.25 C ATOM 1201 C PRO A 74 -8.715 -0.868 8.161 1.00 61.25 C ATOM 1202 O PRO A 74 -9.495 0.023 7.838 1.00 24.41 O ATOM 1203 CB PRO A 74 -9.294 -3.257 8.830 1.00 20.43 C ATOM 1204 CG PRO A 74 -8.004 -4.040 9.061 1.00 52.41 C ATOM 1205 CD PRO A 74 -7.251 -3.967 7.734 1.00 3.34 C ATOM 0 HA PRO A 74 -9.832 -2.229 7.023 1.00 3.25 H new ATOM 0 HB2 PRO A 74 -9.596 -2.719 9.729 1.00 20.43 H new ATOM 0 HB3 PRO A 74 -10.117 -3.921 8.565 1.00 20.43 H new ATOM 0 HG2 PRO A 74 -7.418 -3.605 9.871 1.00 52.41 H new ATOM 0 HG3 PRO A 74 -8.214 -5.073 9.339 1.00 52.41 H new ATOM 0 HD2 PRO A 74 -6.180 -3.853 7.899 1.00 3.34 H new ATOM 0 HD3 PRO A 74 -7.389 -4.881 7.156 1.00 3.34 H new ATOM 1213 N ALA A 75 -7.589 -0.642 8.841 1.00 12.51 N ATOM 1214 CA ALA A 75 -7.231 0.661 9.362 1.00 31.21 C ATOM 1215 C ALA A 75 -7.115 1.737 8.281 1.00 75.32 C ATOM 1216 O ALA A 75 -7.534 2.860 8.550 1.00 13.22 O ATOM 1217 CB ALA A 75 -5.941 0.525 10.162 1.00 72.02 C ATOM 0 H ALA A 75 -6.902 -1.368 9.042 1.00 12.51 H new ATOM 0 HA ALA A 75 -8.038 1.002 10.010 1.00 31.21 H new ATOM 0 HB1 ALA A 75 -5.657 1.498 10.562 1.00 72.02 H new ATOM 0 HB2 ALA A 75 -6.095 -0.174 10.984 1.00 72.02 H new ATOM 0 HB3 ALA A 75 -5.148 0.154 9.513 1.00 72.02 H new ATOM 1223 N TYR A 76 -6.576 1.423 7.088 1.00 41.21 N ATOM 1224 CA TYR A 76 -6.451 2.423 6.024 1.00 70.03 C ATOM 1225 C TYR A 76 -7.831 2.971 5.683 1.00 11.02 C ATOM 1226 O TYR A 76 -8.043 4.181 5.655 1.00 54.43 O ATOM 1227 CB TYR A 76 -5.842 1.827 4.718 1.00 11.34 C ATOM 1228 CG TYR A 76 -5.696 2.814 3.554 1.00 21.22 C ATOM 1229 CD1 TYR A 76 -4.422 3.240 3.130 1.00 21.34 C ATOM 1230 CD2 TYR A 76 -6.828 3.328 2.890 1.00 74.33 C ATOM 1231 CE1 TYR A 76 -4.291 4.213 2.119 1.00 53.14 C ATOM 1232 CE2 TYR A 76 -6.714 4.339 1.925 1.00 11.31 C ATOM 1233 CZ TYR A 76 -5.439 4.791 1.531 1.00 42.04 C ATOM 1234 OH TYR A 76 -5.325 5.696 0.518 1.00 21.43 O ATOM 0 H TYR A 76 -6.226 0.497 6.844 1.00 41.21 H new ATOM 0 HA TYR A 76 -5.786 3.203 6.395 1.00 70.03 H new ATOM 0 HB2 TYR A 76 -4.859 1.416 4.950 1.00 11.34 H new ATOM 0 HB3 TYR A 76 -6.467 0.996 4.392 1.00 11.34 H new ATOM 0 HD1 TYR A 76 -3.538 2.817 3.584 1.00 21.34 H new ATOM 0 HD2 TYR A 76 -7.805 2.935 3.130 1.00 74.33 H new ATOM 0 HE1 TYR A 76 -3.308 4.519 1.792 1.00 53.14 H new ATOM 0 HE2 TYR A 76 -7.601 4.770 1.485 1.00 11.31 H new ATOM 0 HH TYR A 76 -6.218 5.986 0.237 1.00 21.43 H new ATOM 1244 N LEU A 77 -8.765 2.068 5.395 1.00 41.24 N ATOM 1245 CA LEU A 77 -10.114 2.418 4.989 1.00 45.24 C ATOM 1246 C LEU A 77 -10.903 3.025 6.138 1.00 71.30 C ATOM 1247 O LEU A 77 -11.485 4.087 5.974 1.00 41.04 O ATOM 1248 CB LEU A 77 -10.814 1.186 4.390 1.00 72.42 C ATOM 1249 CG LEU A 77 -10.003 0.443 3.300 1.00 42.13 C ATOM 1250 CD1 LEU A 77 -10.493 -0.998 3.206 1.00 43.31 C ATOM 1251 CD2 LEU A 77 -10.028 1.130 1.933 1.00 2.34 C ATOM 0 H LEU A 77 -8.600 1.062 5.439 1.00 41.24 H new ATOM 0 HA LEU A 77 -10.061 3.186 4.217 1.00 45.24 H new ATOM 0 HB2 LEU A 77 -11.039 0.487 5.195 1.00 72.42 H new ATOM 0 HB3 LEU A 77 -11.767 1.499 3.964 1.00 72.42 H new ATOM 0 HG LEU A 77 -8.957 0.463 3.605 1.00 42.13 H new ATOM 0 HD11 LEU A 77 -9.925 -1.526 2.440 1.00 43.31 H new ATOM 0 HD12 LEU A 77 -10.353 -1.493 4.167 1.00 43.31 H new ATOM 0 HD13 LEU A 77 -11.551 -1.006 2.944 1.00 43.31 H new ATOM 0 HD21 LEU A 77 -9.438 0.550 1.223 1.00 2.34 H new ATOM 0 HD22 LEU A 77 -11.057 1.199 1.579 1.00 2.34 H new ATOM 0 HD23 LEU A 77 -9.607 2.132 2.021 1.00 2.34 H new ATOM 1263 N SER A 78 -10.873 2.410 7.316 1.00 12.05 N ATOM 1264 CA SER A 78 -11.601 2.881 8.486 1.00 32.02 C ATOM 1265 C SER A 78 -11.184 4.285 8.940 1.00 24.41 C ATOM 1266 O SER A 78 -11.991 4.978 9.563 1.00 14.53 O ATOM 1267 CB SER A 78 -11.453 1.842 9.601 1.00 55.43 C ATOM 1268 OG SER A 78 -12.609 1.784 10.419 1.00 71.53 O ATOM 0 H SER A 78 -10.335 1.560 7.486 1.00 12.05 H new ATOM 0 HA SER A 78 -12.653 2.986 8.219 1.00 32.02 H new ATOM 0 HB2 SER A 78 -11.268 0.861 9.163 1.00 55.43 H new ATOM 0 HB3 SER A 78 -10.585 2.086 10.214 1.00 55.43 H new ATOM 0 HG SER A 78 -12.481 1.110 11.119 1.00 71.53 H new ATOM 1274 N CYS A 79 -9.964 4.746 8.639 1.00 43.53 N ATOM 1275 CA CYS A 79 -9.538 6.082 9.037 1.00 35.11 C ATOM 1276 C CYS A 79 -9.975 7.154 8.033 1.00 13.13 C ATOM 1277 O CYS A 79 -9.788 8.331 8.334 1.00 62.24 O ATOM 1278 CB CYS A 79 -8.059 6.082 9.433 1.00 74.44 C ATOM 1279 SG CYS A 79 -6.916 6.010 8.034 1.00 63.22 S ATOM 0 H CYS A 79 -9.263 4.213 8.124 1.00 43.53 H new ATOM 0 HA CYS A 79 -10.065 6.376 9.945 1.00 35.11 H new ATOM 0 HB2 CYS A 79 -7.850 6.981 10.012 1.00 74.44 H new ATOM 0 HB3 CYS A 79 -7.870 5.230 10.086 1.00 74.44 H new ATOM 0 HG CYS A 79 -7.419 5.257 7.101 1.00 63.22 H new ATOM 1285 N GLN A 80 -10.598 6.771 6.906 1.00 31.25 N ATOM 1286 CA GLN A 80 -11.125 7.583 5.803 1.00 32.14 C ATOM 1287 C GLN A 80 -11.362 9.052 6.146 1.00 60.13 C ATOM 1288 O GLN A 80 -12.423 9.418 6.652 1.00 22.04 O ATOM 1289 CB GLN A 80 -12.405 6.940 5.232 1.00 24.21 C ATOM 1290 CG GLN A 80 -13.482 6.525 6.262 1.00 24.50 C ATOM 1291 CD GLN A 80 -14.489 5.507 5.723 1.00 4.22 C ATOM 1292 OE1 GLN A 80 -14.356 4.973 4.628 1.00 42.23 O ATOM 1293 NE2 GLN A 80 -15.528 5.221 6.494 1.00 15.22 N ATOM 0 H GLN A 80 -10.760 5.780 6.730 1.00 31.25 H new ATOM 0 HA GLN A 80 -10.342 7.593 5.045 1.00 32.14 H new ATOM 0 HB2 GLN A 80 -12.856 7.641 4.529 1.00 24.21 H new ATOM 0 HB3 GLN A 80 -12.119 6.056 4.662 1.00 24.21 H new ATOM 0 HG2 GLN A 80 -12.990 6.106 7.140 1.00 24.50 H new ATOM 0 HG3 GLN A 80 -14.019 7.415 6.591 1.00 24.50 H new ATOM 0 HE21 GLN A 80 -15.628 5.672 7.403 1.00 15.22 H new ATOM 0 HE22 GLN A 80 -16.228 4.550 6.178 1.00 15.22 H new ATOM 1302 N LYS A 81 -10.376 9.906 5.868 1.00 12.14 N ATOM 1303 CA LYS A 81 -10.454 11.338 6.144 1.00 75.52 C ATOM 1304 C LYS A 81 -9.981 12.149 4.921 1.00 52.51 C ATOM 1305 O LYS A 81 -8.835 11.987 4.498 1.00 54.15 O ATOM 1306 CB LYS A 81 -9.758 11.708 7.464 1.00 45.40 C ATOM 1307 CG LYS A 81 -8.326 11.195 7.516 1.00 5.41 C ATOM 1308 CD LYS A 81 -7.643 11.420 8.869 1.00 30.54 C ATOM 1309 CE LYS A 81 -6.341 10.610 8.894 1.00 21.24 C ATOM 1310 NZ LYS A 81 -5.523 10.894 10.087 1.00 4.52 N ATOM 0 H LYS A 81 -9.495 9.619 5.442 1.00 12.14 H new ATOM 0 HA LYS A 81 -11.497 11.612 6.303 1.00 75.52 H new ATOM 0 HB2 LYS A 81 -9.760 12.791 7.584 1.00 45.40 H new ATOM 0 HB3 LYS A 81 -10.322 11.294 8.300 1.00 45.40 H new ATOM 0 HG2 LYS A 81 -8.322 10.129 7.289 1.00 5.41 H new ATOM 0 HG3 LYS A 81 -7.744 11.688 6.738 1.00 5.41 H new ATOM 0 HD2 LYS A 81 -7.434 12.479 9.017 1.00 30.54 H new ATOM 0 HD3 LYS A 81 -8.299 11.109 9.682 1.00 30.54 H new ATOM 0 HE2 LYS A 81 -6.578 9.546 8.864 1.00 21.24 H new ATOM 0 HE3 LYS A 81 -5.761 10.832 7.998 1.00 21.24 H new ATOM 0 HZ1 LYS A 81 -4.655 10.322 10.057 1.00 4.52 H new ATOM 0 HZ2 LYS A 81 -5.273 11.903 10.104 1.00 4.52 H new ATOM 0 HZ3 LYS A 81 -6.064 10.657 10.943 1.00 4.52 H new ATOM 1324 N PRO A 82 -10.865 12.931 4.286 1.00 21.30 N ATOM 1325 CA PRO A 82 -10.571 13.779 3.135 1.00 2.44 C ATOM 1326 C PRO A 82 -9.700 14.966 3.574 1.00 32.23 C ATOM 1327 O PRO A 82 -9.377 15.060 4.758 1.00 34.22 O ATOM 1328 CB PRO A 82 -11.940 14.210 2.614 1.00 23.45 C ATOM 1329 CG PRO A 82 -12.839 14.193 3.855 1.00 41.30 C ATOM 1330 CD PRO A 82 -12.214 13.129 4.748 1.00 22.10 C ATOM 0 HA PRO A 82 -10.004 13.273 2.353 1.00 2.44 H new ATOM 0 HB2 PRO A 82 -11.900 15.202 2.165 1.00 23.45 H new ATOM 0 HB3 PRO A 82 -12.307 13.528 1.847 1.00 23.45 H new ATOM 0 HG2 PRO A 82 -12.859 15.166 4.347 1.00 41.30 H new ATOM 0 HG3 PRO A 82 -13.869 13.944 3.599 1.00 41.30 H new ATOM 0 HD2 PRO A 82 -12.222 13.447 5.790 1.00 22.10 H new ATOM 0 HD3 PRO A 82 -12.780 12.199 4.694 1.00 22.10 H new ATOM 1338 N ASP A 83 -9.339 15.865 2.642 1.00 72.33 N ATOM 1339 CA ASP A 83 -8.489 17.059 2.844 1.00 52.33 C ATOM 1340 C ASP A 83 -7.403 16.743 3.866 1.00 3.14 C ATOM 1341 O ASP A 83 -7.429 17.205 5.010 1.00 75.25 O ATOM 1342 CB ASP A 83 -9.262 18.343 3.166 1.00 71.23 C ATOM 1343 CG ASP A 83 -8.396 19.562 2.845 1.00 15.45 C ATOM 1344 OD1 ASP A 83 -7.631 20.065 3.698 1.00 32.40 O ATOM 1345 OD2 ASP A 83 -8.490 20.039 1.696 1.00 72.05 O ATOM 0 H ASP A 83 -9.647 15.776 1.674 1.00 72.33 H new ATOM 0 HA ASP A 83 -8.018 17.286 1.888 1.00 52.33 H new ATOM 0 HB2 ASP A 83 -10.185 18.378 2.587 1.00 71.23 H new ATOM 0 HB3 ASP A 83 -9.546 18.354 4.218 1.00 71.23 H new ATOM 1350 N THR A 84 -6.466 15.892 3.450 1.00 53.02 N ATOM 1351 CA THR A 84 -5.379 15.431 4.300 1.00 1.11 C ATOM 1352 C THR A 84 -3.987 15.499 3.644 1.00 73.04 C ATOM 1353 O THR A 84 -2.999 15.260 4.337 1.00 24.34 O ATOM 1354 CB THR A 84 -5.828 14.039 4.795 1.00 10.01 C ATOM 1355 OG1 THR A 84 -5.164 13.618 5.962 1.00 60.01 O ATOM 1356 CG2 THR A 84 -5.682 12.962 3.711 1.00 10.10 C ATOM 0 H THR A 84 -6.443 15.503 2.507 1.00 53.02 H new ATOM 0 HA THR A 84 -5.214 16.096 5.148 1.00 1.11 H new ATOM 0 HB THR A 84 -6.884 14.161 5.038 1.00 10.01 H new ATOM 0 HG1 THR A 84 -5.493 12.733 6.224 1.00 60.01 H new ATOM 0 HG21 THR A 84 -6.010 12.001 4.107 1.00 10.10 H new ATOM 0 HG22 THR A 84 -6.294 13.228 2.849 1.00 10.10 H new ATOM 0 HG23 THR A 84 -4.638 12.892 3.406 1.00 10.10 H new ATOM 1364 N ALA A 85 -3.913 15.835 2.345 1.00 50.24 N ATOM 1365 CA ALA A 85 -2.694 15.979 1.537 1.00 64.51 C ATOM 1366 C ALA A 85 -1.877 14.692 1.428 1.00 43.51 C ATOM 1367 O ALA A 85 -1.261 14.205 2.383 1.00 24.13 O ATOM 1368 CB ALA A 85 -1.882 17.194 1.987 1.00 32.41 C ATOM 0 H ALA A 85 -4.754 16.024 1.800 1.00 50.24 H new ATOM 0 HA ALA A 85 -3.007 16.172 0.511 1.00 64.51 H new ATOM 0 HB1 ALA A 85 -0.985 17.279 1.374 1.00 32.41 H new ATOM 0 HB2 ALA A 85 -2.484 18.096 1.876 1.00 32.41 H new ATOM 0 HB3 ALA A 85 -1.597 17.074 3.032 1.00 32.41 H new ATOM 1374 N ARG A 86 -1.993 14.045 0.267 1.00 44.54 N ATOM 1375 CA ARG A 86 -1.240 12.820 0.022 1.00 73.22 C ATOM 1376 C ARG A 86 0.217 13.238 -0.246 1.00 2.22 C ATOM 1377 O ARG A 86 0.497 14.417 -0.466 1.00 62.32 O ATOM 1378 CB ARG A 86 -1.884 12.017 -1.128 1.00 11.24 C ATOM 1379 CG ARG A 86 -3.368 11.707 -0.870 1.00 22.14 C ATOM 1380 CD ARG A 86 -3.957 10.716 -1.880 1.00 41.15 C ATOM 1381 NE ARG A 86 -4.234 11.325 -3.188 1.00 54.14 N ATOM 1382 CZ ARG A 86 -5.181 10.971 -4.066 1.00 44.04 C ATOM 1383 NH1 ARG A 86 -5.962 9.914 -3.865 1.00 31.54 N ATOM 1384 NH2 ARG A 86 -5.339 11.685 -5.169 1.00 20.42 N ATOM 0 H ARG A 86 -2.590 14.344 -0.504 1.00 44.54 H new ATOM 0 HA ARG A 86 -1.255 12.146 0.879 1.00 73.22 H new ATOM 0 HB2 ARG A 86 -1.790 12.579 -2.057 1.00 11.24 H new ATOM 0 HB3 ARG A 86 -1.339 11.083 -1.264 1.00 11.24 H new ATOM 0 HG2 ARG A 86 -3.479 11.302 0.136 1.00 22.14 H new ATOM 0 HG3 ARG A 86 -3.939 12.635 -0.905 1.00 22.14 H new ATOM 0 HD2 ARG A 86 -3.264 9.885 -2.012 1.00 41.15 H new ATOM 0 HD3 ARG A 86 -4.880 10.300 -1.476 1.00 41.15 H new ATOM 0 HE ARG A 86 -3.637 12.107 -3.458 1.00 54.14 H new ATOM 0 HH11 ARG A 86 -5.848 9.348 -3.024 1.00 31.54 H new ATOM 0 HH12 ARG A 86 -6.675 9.669 -4.552 1.00 31.54 H new ATOM 0 HH21 ARG A 86 -4.743 12.494 -5.342 1.00 20.42 H new ATOM 0 HH22 ARG A 86 -6.057 11.426 -5.846 1.00 20.42 H new ATOM 1398 N VAL A 87 1.156 12.295 -0.210 1.00 35.20 N ATOM 1399 CA VAL A 87 2.575 12.541 -0.466 1.00 65.10 C ATOM 1400 C VAL A 87 3.127 11.409 -1.334 1.00 61.23 C ATOM 1401 O VAL A 87 2.528 10.331 -1.400 1.00 52.31 O ATOM 1402 CB VAL A 87 3.399 12.774 0.821 1.00 1.32 C ATOM 1403 CG1 VAL A 87 2.958 14.039 1.572 1.00 43.25 C ATOM 1404 CG2 VAL A 87 3.377 11.578 1.784 1.00 52.32 C ATOM 0 H VAL A 87 0.949 11.319 0.002 1.00 35.20 H new ATOM 0 HA VAL A 87 2.669 13.480 -1.011 1.00 65.10 H new ATOM 0 HB VAL A 87 4.424 12.904 0.473 1.00 1.32 H new ATOM 0 HG11 VAL A 87 3.566 14.160 2.469 1.00 43.25 H new ATOM 0 HG12 VAL A 87 3.086 14.908 0.927 1.00 43.25 H new ATOM 0 HG13 VAL A 87 1.909 13.948 1.854 1.00 43.25 H new ATOM 0 HG21 VAL A 87 3.975 11.810 2.665 1.00 52.32 H new ATOM 0 HG22 VAL A 87 2.350 11.373 2.086 1.00 52.32 H new ATOM 0 HG23 VAL A 87 3.791 10.702 1.285 1.00 52.32 H new ATOM 1414 N ASP A 88 4.220 11.670 -2.047 1.00 73.50 N ATOM 1415 CA ASP A 88 4.911 10.761 -2.952 1.00 21.44 C ATOM 1416 C ASP A 88 6.106 10.085 -2.266 1.00 42.33 C ATOM 1417 O ASP A 88 6.336 10.307 -1.074 1.00 53.11 O ATOM 1418 CB ASP A 88 5.331 11.635 -4.132 1.00 25.10 C ATOM 1419 CG ASP A 88 6.169 10.896 -5.153 1.00 4.04 C ATOM 1420 OD1 ASP A 88 7.330 11.304 -5.322 1.00 21.13 O ATOM 1421 OD2 ASP A 88 5.684 9.891 -5.705 1.00 70.34 O ATOM 0 H ASP A 88 4.674 12.582 -2.004 1.00 73.50 H new ATOM 0 HA ASP A 88 4.278 9.935 -3.275 1.00 21.44 H new ATOM 0 HB2 ASP A 88 4.439 12.029 -4.620 1.00 25.10 H new ATOM 0 HB3 ASP A 88 5.895 12.491 -3.760 1.00 25.10 H new ATOM 1426 N ILE A 89 6.862 9.249 -2.985 1.00 51.14 N ATOM 1427 CA ILE A 89 8.049 8.557 -2.489 1.00 35.45 C ATOM 1428 C ILE A 89 9.055 9.585 -1.978 1.00 25.10 C ATOM 1429 O ILE A 89 9.691 9.344 -0.960 1.00 20.53 O ATOM 1430 CB ILE A 89 8.668 7.653 -3.597 1.00 32.53 C ATOM 1431 CG1 ILE A 89 9.201 8.431 -4.823 1.00 71.51 C ATOM 1432 CG2 ILE A 89 7.617 6.620 -4.024 1.00 44.13 C ATOM 1433 CD1 ILE A 89 9.675 7.571 -5.998 1.00 23.42 C ATOM 0 H ILE A 89 6.655 9.030 -3.960 1.00 51.14 H new ATOM 0 HA ILE A 89 7.768 7.903 -1.663 1.00 35.45 H new ATOM 0 HB ILE A 89 9.544 7.166 -3.169 1.00 32.53 H new ATOM 0 HG12 ILE A 89 8.415 9.097 -5.178 1.00 71.51 H new ATOM 0 HG13 ILE A 89 10.030 9.060 -4.499 1.00 71.51 H new ATOM 0 HG21 ILE A 89 8.033 5.977 -4.800 1.00 44.13 H new ATOM 0 HG22 ILE A 89 7.333 6.013 -3.164 1.00 44.13 H new ATOM 0 HG23 ILE A 89 6.738 7.134 -4.412 1.00 44.13 H new ATOM 0 HD11 ILE A 89 10.028 8.217 -6.802 1.00 23.42 H new ATOM 0 HD12 ILE A 89 10.488 6.923 -5.670 1.00 23.42 H new ATOM 0 HD13 ILE A 89 8.847 6.961 -6.359 1.00 23.42 H new ATOM 1445 N TYR A 90 9.164 10.740 -2.644 1.00 24.32 N ATOM 1446 CA TYR A 90 10.089 11.806 -2.272 1.00 62.02 C ATOM 1447 C TYR A 90 9.473 12.707 -1.192 1.00 71.52 C ATOM 1448 O TYR A 90 10.070 13.705 -0.793 1.00 52.41 O ATOM 1449 CB TYR A 90 10.395 12.646 -3.520 1.00 3.51 C ATOM 1450 CG TYR A 90 11.262 12.016 -4.595 1.00 22.04 C ATOM 1451 CD1 TYR A 90 12.663 12.132 -4.527 1.00 61.34 C ATOM 1452 CD2 TYR A 90 10.674 11.428 -5.730 1.00 72.30 C ATOM 1453 CE1 TYR A 90 13.465 11.681 -5.591 1.00 11.13 C ATOM 1454 CE2 TYR A 90 11.464 10.956 -6.789 1.00 62.33 C ATOM 1455 CZ TYR A 90 12.864 11.101 -6.730 1.00 2.50 C ATOM 1456 OH TYR A 90 13.625 10.714 -7.787 1.00 73.11 O ATOM 0 H TYR A 90 8.603 10.959 -3.467 1.00 24.32 H new ATOM 0 HA TYR A 90 11.003 11.365 -1.874 1.00 62.02 H new ATOM 0 HB2 TYR A 90 9.446 12.928 -3.976 1.00 3.51 H new ATOM 0 HB3 TYR A 90 10.879 13.567 -3.195 1.00 3.51 H new ATOM 0 HD1 TYR A 90 13.124 12.569 -3.654 1.00 61.34 H new ATOM 0 HD2 TYR A 90 9.599 11.339 -5.787 1.00 72.30 H new ATOM 0 HE1 TYR A 90 14.539 11.778 -5.537 1.00 11.13 H new ATOM 0 HE2 TYR A 90 11.002 10.485 -7.644 1.00 62.33 H new ATOM 0 HH TYR A 90 13.049 10.334 -8.483 1.00 73.11 H new ATOM 1466 N GLY A 91 8.257 12.409 -0.726 1.00 64.35 N ATOM 1467 CA GLY A 91 7.565 13.204 0.272 1.00 64.44 C ATOM 1468 C GLY A 91 6.942 14.456 -0.358 1.00 24.12 C ATOM 1469 O GLY A 91 6.486 15.322 0.387 1.00 31.11 O ATOM 0 H GLY A 91 7.725 11.597 -1.040 1.00 64.35 H new ATOM 0 HA2 GLY A 91 6.787 12.604 0.744 1.00 64.44 H new ATOM 0 HA3 GLY A 91 8.262 13.496 1.057 1.00 64.44 H new ATOM 1473 N ASN A 92 6.905 14.564 -1.699 1.00 12.34 N ATOM 1474 CA ASN A 92 6.350 15.705 -2.427 1.00 20.32 C ATOM 1475 C ASN A 92 4.917 15.913 -1.986 1.00 74.41 C ATOM 1476 O ASN A 92 4.158 14.944 -1.922 1.00 31.24 O ATOM 1477 CB ASN A 92 6.313 15.482 -3.953 1.00 53.40 C ATOM 1478 CG ASN A 92 7.625 15.047 -4.572 1.00 60.31 C ATOM 1479 OD1 ASN A 92 8.700 15.300 -4.044 1.00 31.13 O ATOM 1480 ND2 ASN A 92 7.566 14.317 -5.668 1.00 10.13 N ATOM 0 H ASN A 92 7.271 13.839 -2.316 1.00 12.34 H new ATOM 0 HA ASN A 92 6.992 16.559 -2.210 1.00 20.32 H new ATOM 0 HB2 ASN A 92 5.557 14.729 -4.176 1.00 53.40 H new ATOM 0 HB3 ASN A 92 5.993 16.407 -4.432 1.00 53.40 H new ATOM 0 HD21 ASN A 92 8.423 13.955 -6.087 1.00 10.13 H new ATOM 0 HD22 ASN A 92 6.663 14.114 -6.097 1.00 10.13 H new ATOM 1487 N GLU A 93 4.548 17.151 -1.684 1.00 33.02 N ATOM 1488 CA GLU A 93 3.200 17.481 -1.266 1.00 62.01 C ATOM 1489 C GLU A 93 2.321 17.427 -2.508 1.00 15.51 C ATOM 1490 O GLU A 93 2.526 18.209 -3.440 1.00 14.04 O ATOM 1491 CB GLU A 93 3.171 18.890 -0.649 1.00 34.24 C ATOM 1492 CG GLU A 93 3.020 18.861 0.875 1.00 73.42 C ATOM 1493 CD GLU A 93 3.540 20.167 1.483 1.00 42.21 C ATOM 1494 OE1 GLU A 93 2.947 21.246 1.261 1.00 3.21 O ATOM 1495 OE2 GLU A 93 4.605 20.138 2.145 1.00 35.05 O ATOM 0 H GLU A 93 5.178 17.952 -1.723 1.00 33.02 H new ATOM 0 HA GLU A 93 2.842 16.781 -0.512 1.00 62.01 H new ATOM 0 HB2 GLU A 93 4.089 19.416 -0.910 1.00 34.24 H new ATOM 0 HB3 GLU A 93 2.346 19.456 -1.082 1.00 34.24 H new ATOM 0 HG2 GLU A 93 1.973 18.719 1.141 1.00 73.42 H new ATOM 0 HG3 GLU A 93 3.571 18.015 1.286 1.00 73.42 H new ATOM 1502 N VAL A 94 1.339 16.537 -2.530 1.00 10.13 N ATOM 1503 CA VAL A 94 0.405 16.364 -3.633 1.00 33.34 C ATOM 1504 C VAL A 94 -0.977 16.818 -3.133 1.00 64.41 C ATOM 1505 O VAL A 94 -1.133 17.177 -1.960 1.00 44.55 O ATOM 1506 CB VAL A 94 0.535 15.002 -4.348 1.00 14.42 C ATOM 1507 CG1 VAL A 94 1.960 14.730 -4.852 1.00 45.00 C ATOM 1508 CG2 VAL A 94 0.127 13.815 -3.488 1.00 44.41 C ATOM 0 H VAL A 94 1.165 15.895 -1.756 1.00 10.13 H new ATOM 0 HA VAL A 94 0.641 17.006 -4.482 1.00 33.34 H new ATOM 0 HB VAL A 94 -0.155 15.092 -5.187 1.00 14.42 H new ATOM 0 HG11 VAL A 94 1.992 13.759 -5.346 1.00 45.00 H new ATOM 0 HG12 VAL A 94 2.250 15.507 -5.559 1.00 45.00 H new ATOM 0 HG13 VAL A 94 2.651 14.731 -4.009 1.00 45.00 H new ATOM 0 HG21 VAL A 94 0.246 12.894 -4.059 1.00 44.41 H new ATOM 0 HG22 VAL A 94 0.758 13.775 -2.600 1.00 44.41 H new ATOM 0 HG23 VAL A 94 -0.915 13.924 -3.188 1.00 44.41 H new ATOM 1518 N ASP A 95 -2.008 16.754 -3.976 1.00 52.12 N ATOM 1519 CA ASP A 95 -3.327 17.259 -3.590 1.00 62.05 C ATOM 1520 C ASP A 95 -4.017 16.260 -2.650 1.00 32.22 C ATOM 1521 O ASP A 95 -3.448 15.220 -2.285 1.00 70.21 O ATOM 1522 CB ASP A 95 -4.120 17.521 -4.885 1.00 40.12 C ATOM 1523 CG ASP A 95 -5.538 18.073 -4.707 1.00 35.41 C ATOM 1524 OD1 ASP A 95 -6.420 17.686 -5.506 1.00 43.04 O ATOM 1525 OD2 ASP A 95 -5.795 18.852 -3.759 1.00 32.21 O ATOM 0 H ASP A 95 -1.958 16.364 -4.917 1.00 52.12 H new ATOM 0 HA ASP A 95 -3.256 18.193 -3.033 1.00 62.05 H new ATOM 0 HB2 ASP A 95 -3.554 18.222 -5.498 1.00 40.12 H new ATOM 0 HB3 ASP A 95 -4.183 16.587 -5.444 1.00 40.12 H new ATOM 1530 N VAL A 96 -5.272 16.496 -2.289 1.00 21.22 N ATOM 1531 CA VAL A 96 -5.978 15.698 -1.307 1.00 62.02 C ATOM 1532 C VAL A 96 -7.096 14.828 -1.859 1.00 14.21 C ATOM 1533 O VAL A 96 -7.484 14.931 -3.020 1.00 72.32 O ATOM 1534 CB VAL A 96 -6.585 16.724 -0.312 1.00 13.12 C ATOM 1535 CG1 VAL A 96 -5.640 17.865 0.123 1.00 52.24 C ATOM 1536 CG2 VAL A 96 -7.852 17.423 -0.849 1.00 44.41 C ATOM 0 H VAL A 96 -5.830 17.256 -2.677 1.00 21.22 H new ATOM 0 HA VAL A 96 -5.273 14.993 -0.866 1.00 62.02 H new ATOM 0 HB VAL A 96 -6.805 16.083 0.542 1.00 13.12 H new ATOM 0 HG11 VAL A 96 -6.161 18.525 0.817 1.00 52.24 H new ATOM 0 HG12 VAL A 96 -4.762 17.444 0.613 1.00 52.24 H new ATOM 0 HG13 VAL A 96 -5.329 18.433 -0.753 1.00 52.24 H new ATOM 0 HG21 VAL A 96 -8.223 18.126 -0.103 1.00 44.41 H new ATOM 0 HG22 VAL A 96 -7.610 17.960 -1.766 1.00 44.41 H new ATOM 0 HG23 VAL A 96 -8.619 16.677 -1.057 1.00 44.41 H new ATOM 1546 N VAL A 97 -7.550 13.913 -1.001 1.00 10.12 N ATOM 1547 CA VAL A 97 -8.639 12.999 -1.327 1.00 31.03 C ATOM 1548 C VAL A 97 -9.936 13.781 -1.107 1.00 73.03 C ATOM 1549 O VAL A 97 -10.092 14.397 -0.044 1.00 21.43 O ATOM 1550 CB VAL A 97 -8.606 11.729 -0.448 1.00 11.21 C ATOM 1551 CG1 VAL A 97 -9.611 10.687 -0.962 1.00 5.43 C ATOM 1552 CG2 VAL A 97 -7.222 11.069 -0.435 1.00 50.12 C ATOM 0 H VAL A 97 -7.172 13.787 -0.062 1.00 10.12 H new ATOM 0 HA VAL A 97 -8.552 12.652 -2.357 1.00 31.03 H new ATOM 0 HB VAL A 97 -8.862 12.052 0.561 1.00 11.21 H new ATOM 0 HG11 VAL A 97 -9.572 9.800 -0.329 1.00 5.43 H new ATOM 0 HG12 VAL A 97 -10.616 11.107 -0.936 1.00 5.43 H new ATOM 0 HG13 VAL A 97 -9.359 10.413 -1.986 1.00 5.43 H new ATOM 0 HG21 VAL A 97 -7.248 10.181 0.196 1.00 50.12 H new ATOM 0 HG22 VAL A 97 -6.945 10.785 -1.450 1.00 50.12 H new ATOM 0 HG23 VAL A 97 -6.487 11.772 -0.042 1.00 50.12 H new ATOM 1562 N THR A 98 -10.842 13.765 -2.087 1.00 33.25 N ATOM 1563 CA THR A 98 -12.117 14.467 -1.974 1.00 64.12 C ATOM 1564 C THR A 98 -12.999 13.782 -0.909 1.00 1.00 C ATOM 1565 O THR A 98 -12.797 12.602 -0.597 1.00 2.31 O ATOM 1566 CB THR A 98 -12.805 14.535 -3.353 1.00 43.31 C ATOM 1567 OG1 THR A 98 -13.198 13.257 -3.805 1.00 71.20 O ATOM 1568 CG2 THR A 98 -11.929 15.207 -4.418 1.00 12.30 C ATOM 0 H THR A 98 -10.713 13.271 -2.970 1.00 33.25 H new ATOM 0 HA THR A 98 -11.949 15.493 -1.646 1.00 64.12 H new ATOM 0 HB THR A 98 -13.693 15.150 -3.208 1.00 43.31 H new ATOM 0 HG1 THR A 98 -13.768 13.351 -4.596 1.00 71.20 H new ATOM 0 HG21 THR A 98 -12.463 15.228 -5.368 1.00 12.30 H new ATOM 0 HG22 THR A 98 -11.699 16.227 -4.109 1.00 12.30 H new ATOM 0 HG23 THR A 98 -11.002 14.645 -4.535 1.00 12.30 H new ATOM 1576 N PRO A 99 -14.037 14.450 -0.374 1.00 34.44 N ATOM 1577 CA PRO A 99 -14.908 13.875 0.650 1.00 43.21 C ATOM 1578 C PRO A 99 -15.616 12.592 0.241 1.00 30.44 C ATOM 1579 O PRO A 99 -15.733 11.696 1.081 1.00 70.11 O ATOM 1580 CB PRO A 99 -15.892 14.974 1.040 1.00 44.25 C ATOM 1581 CG PRO A 99 -15.868 15.908 -0.161 1.00 30.44 C ATOM 1582 CD PRO A 99 -14.421 15.830 -0.619 1.00 31.31 C ATOM 0 HA PRO A 99 -14.299 13.555 1.495 1.00 43.21 H new ATOM 0 HB2 PRO A 99 -16.890 14.575 1.219 1.00 44.25 H new ATOM 0 HB3 PRO A 99 -15.584 15.484 1.953 1.00 44.25 H new ATOM 0 HG2 PRO A 99 -16.557 15.583 -0.940 1.00 30.44 H new ATOM 0 HG3 PRO A 99 -16.152 16.925 0.111 1.00 30.44 H new ATOM 0 HD2 PRO A 99 -14.324 16.088 -1.674 1.00 31.31 H new ATOM 0 HD3 PRO A 99 -13.790 16.523 -0.062 1.00 31.31 H new ATOM 1590 N GLU A 100 -16.106 12.495 -0.996 1.00 62.30 N ATOM 1591 CA GLU A 100 -16.787 11.287 -1.438 1.00 13.22 C ATOM 1592 C GLU A 100 -15.783 10.161 -1.646 1.00 21.30 C ATOM 1593 O GLU A 100 -16.014 9.047 -1.183 1.00 72.21 O ATOM 1594 CB GLU A 100 -17.621 11.529 -2.697 1.00 32.14 C ATOM 1595 CG GLU A 100 -18.905 12.292 -2.326 1.00 62.13 C ATOM 1596 CD GLU A 100 -19.988 12.238 -3.405 1.00 2.24 C ATOM 1597 OE1 GLU A 100 -19.791 11.584 -4.454 1.00 63.15 O ATOM 1598 OE2 GLU A 100 -21.062 12.832 -3.172 1.00 2.12 O ATOM 0 H GLU A 100 -16.043 13.231 -1.699 1.00 62.30 H new ATOM 0 HA GLU A 100 -17.483 10.989 -0.653 1.00 13.22 H new ATOM 0 HB2 GLU A 100 -17.044 12.100 -3.424 1.00 32.14 H new ATOM 0 HB3 GLU A 100 -17.874 10.578 -3.167 1.00 32.14 H new ATOM 0 HG2 GLU A 100 -19.307 11.880 -1.400 1.00 62.13 H new ATOM 0 HG3 GLU A 100 -18.653 13.334 -2.129 1.00 62.13 H new ATOM 1605 N GLN A 101 -14.656 10.429 -2.312 1.00 12.31 N ATOM 1606 CA GLN A 101 -13.656 9.395 -2.548 1.00 71.15 C ATOM 1607 C GLN A 101 -13.073 8.904 -1.218 1.00 35.13 C ATOM 1608 O GLN A 101 -12.755 7.720 -1.085 1.00 64.31 O ATOM 1609 CB GLN A 101 -12.586 9.890 -3.529 1.00 31.45 C ATOM 1610 CG GLN A 101 -13.201 10.151 -4.917 1.00 5.35 C ATOM 1611 CD GLN A 101 -12.178 10.702 -5.906 1.00 75.34 C ATOM 1612 OE1 GLN A 101 -11.147 10.085 -6.180 1.00 72.34 O ATOM 1613 NE2 GLN A 101 -12.465 11.838 -6.513 1.00 43.32 N ATOM 0 H GLN A 101 -14.419 11.345 -2.692 1.00 12.31 H new ATOM 0 HA GLN A 101 -14.130 8.534 -3.020 1.00 71.15 H new ATOM 0 HB2 GLN A 101 -12.132 10.805 -3.149 1.00 31.45 H new ATOM 0 HB3 GLN A 101 -11.790 9.150 -3.611 1.00 31.45 H new ATOM 0 HG2 GLN A 101 -13.619 9.223 -5.308 1.00 5.35 H new ATOM 0 HG3 GLN A 101 -14.027 10.856 -4.820 1.00 5.35 H new ATOM 0 HE21 GLN A 101 -13.321 12.340 -6.278 1.00 43.32 H new ATOM 0 HE22 GLN A 101 -11.830 12.214 -7.217 1.00 43.32 H new ATOM 1622 N ALA A 102 -12.977 9.777 -0.203 1.00 52.24 N ATOM 1623 CA ALA A 102 -12.450 9.378 1.088 1.00 55.01 C ATOM 1624 C ALA A 102 -13.413 8.397 1.761 1.00 1.24 C ATOM 1625 O ALA A 102 -12.973 7.305 2.115 1.00 44.14 O ATOM 1626 CB ALA A 102 -12.226 10.611 1.974 1.00 34.43 C ATOM 0 H ALA A 102 -13.259 10.756 -0.262 1.00 52.24 H new ATOM 0 HA ALA A 102 -11.490 8.882 0.944 1.00 55.01 H new ATOM 0 HB1 ALA A 102 -11.830 10.298 2.940 1.00 34.43 H new ATOM 0 HB2 ALA A 102 -11.515 11.282 1.491 1.00 34.43 H new ATOM 0 HB3 ALA A 102 -13.173 11.130 2.121 1.00 34.43 H new ATOM 1632 N LYS A 103 -14.710 8.714 1.855 1.00 45.32 N ATOM 1633 CA LYS A 103 -15.709 7.844 2.489 1.00 11.51 C ATOM 1634 C LYS A 103 -15.934 6.564 1.694 1.00 23.23 C ATOM 1635 O LYS A 103 -16.251 5.534 2.276 1.00 13.23 O ATOM 1636 CB LYS A 103 -17.007 8.603 2.807 1.00 75.11 C ATOM 1637 CG LYS A 103 -17.834 8.956 1.559 1.00 22.12 C ATOM 1638 CD LYS A 103 -19.162 9.643 1.879 1.00 4.44 C ATOM 1639 CE LYS A 103 -18.981 11.054 2.456 1.00 21.31 C ATOM 1640 NZ LYS A 103 -20.260 11.581 2.972 1.00 2.40 N ATOM 0 H LYS A 103 -15.098 9.585 1.492 1.00 45.32 H new ATOM 0 HA LYS A 103 -15.307 7.527 3.451 1.00 11.51 H new ATOM 0 HB2 LYS A 103 -17.617 7.998 3.478 1.00 75.11 H new ATOM 0 HB3 LYS A 103 -16.760 9.521 3.341 1.00 75.11 H new ATOM 0 HG2 LYS A 103 -17.244 9.607 0.914 1.00 22.12 H new ATOM 0 HG3 LYS A 103 -18.033 8.045 0.995 1.00 22.12 H new ATOM 0 HD2 LYS A 103 -19.763 9.701 0.972 1.00 4.44 H new ATOM 0 HD3 LYS A 103 -19.718 9.033 2.591 1.00 4.44 H new ATOM 0 HE2 LYS A 103 -18.243 11.031 3.258 1.00 21.31 H new ATOM 0 HE3 LYS A 103 -18.594 11.720 1.685 1.00 21.31 H new ATOM 0 HZ1 LYS A 103 -20.112 12.536 3.357 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 -20.955 11.623 2.200 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 -20.615 10.956 3.724 1.00 2.40 H new ATOM 1654 N TYR A 104 -15.768 6.605 0.375 1.00 30.35 N ATOM 1655 CA TYR A 104 -15.928 5.486 -0.541 1.00 11.45 C ATOM 1656 C TYR A 104 -15.063 4.306 -0.106 1.00 74.30 C ATOM 1657 O TYR A 104 -15.404 3.175 -0.439 1.00 13.22 O ATOM 1658 CB TYR A 104 -15.762 5.942 -1.997 1.00 34.14 C ATOM 1659 CG TYR A 104 -17.083 6.249 -2.698 1.00 15.22 C ATOM 1660 CD1 TYR A 104 -18.201 6.727 -1.975 1.00 63.34 C ATOM 1661 CD2 TYR A 104 -17.228 5.970 -4.071 1.00 10.34 C ATOM 1662 CE1 TYR A 104 -19.460 6.835 -2.587 1.00 32.23 C ATOM 1663 CE2 TYR A 104 -18.488 6.079 -4.689 1.00 74.54 C ATOM 1664 CZ TYR A 104 -19.616 6.492 -3.945 1.00 31.23 C ATOM 1665 OH TYR A 104 -20.841 6.580 -4.532 1.00 52.30 O ATOM 0 H TYR A 104 -15.505 7.465 -0.106 1.00 30.35 H new ATOM 0 HA TYR A 104 -16.948 5.105 -0.497 1.00 11.45 H new ATOM 0 HB2 TYR A 104 -15.133 6.832 -2.020 1.00 34.14 H new ATOM 0 HB3 TYR A 104 -15.237 5.166 -2.554 1.00 34.14 H new ATOM 0 HD1 TYR A 104 -18.085 7.012 -0.940 1.00 63.34 H new ATOM 0 HD2 TYR A 104 -16.368 5.671 -4.652 1.00 10.34 H new ATOM 0 HE1 TYR A 104 -20.309 7.181 -2.017 1.00 32.23 H new ATOM 0 HE2 TYR A 104 -18.593 5.846 -5.738 1.00 74.54 H new ATOM 0 HH TYR A 104 -20.774 6.308 -5.471 1.00 52.30 H new ATOM 1675 N ALA A 105 -13.950 4.543 0.597 1.00 43.11 N ATOM 1676 CA ALA A 105 -13.072 3.494 1.092 1.00 50.35 C ATOM 1677 C ALA A 105 -13.864 2.461 1.912 1.00 25.53 C ATOM 1678 O ALA A 105 -13.528 1.274 1.866 1.00 22.11 O ATOM 1679 CB ALA A 105 -12.008 4.157 1.968 1.00 40.41 C ATOM 0 H ALA A 105 -13.636 5.483 0.838 1.00 43.11 H new ATOM 0 HA ALA A 105 -12.611 2.967 0.257 1.00 50.35 H new ATOM 0 HB1 ALA A 105 -11.331 3.396 2.357 1.00 40.41 H new ATOM 0 HB2 ALA A 105 -11.444 4.876 1.374 1.00 40.41 H new ATOM 0 HB3 ALA A 105 -12.490 4.672 2.799 1.00 40.41 H new ATOM 1685 N TYR A 106 -14.938 2.876 2.582 1.00 11.04 N ATOM 1686 CA TYR A 106 -15.785 2.014 3.391 1.00 71.42 C ATOM 1687 C TYR A 106 -16.350 0.819 2.615 1.00 40.12 C ATOM 1688 O TYR A 106 -16.596 -0.222 3.224 1.00 34.51 O ATOM 1689 CB TYR A 106 -16.899 2.832 4.046 1.00 13.43 C ATOM 1690 CG TYR A 106 -18.251 2.860 3.349 1.00 42.32 C ATOM 1691 CD1 TYR A 106 -18.418 3.313 2.020 1.00 4.13 C ATOM 1692 CD2 TYR A 106 -19.370 2.434 4.079 1.00 2.34 C ATOM 1693 CE1 TYR A 106 -19.711 3.341 1.446 1.00 35.51 C ATOM 1694 CE2 TYR A 106 -20.654 2.466 3.523 1.00 5.14 C ATOM 1695 CZ TYR A 106 -20.837 2.920 2.203 1.00 52.34 C ATOM 1696 OH TYR A 106 -22.110 2.940 1.714 1.00 4.32 O ATOM 0 H TYR A 106 -15.248 3.848 2.574 1.00 11.04 H new ATOM 0 HA TYR A 106 -15.153 1.587 4.170 1.00 71.42 H new ATOM 0 HB2 TYR A 106 -17.049 2.449 5.056 1.00 13.43 H new ATOM 0 HB3 TYR A 106 -16.549 3.860 4.143 1.00 13.43 H new ATOM 0 HD1 TYR A 106 -17.562 3.636 1.446 1.00 4.13 H new ATOM 0 HD2 TYR A 106 -19.239 2.075 5.089 1.00 2.34 H new ATOM 0 HE1 TYR A 106 -19.842 3.683 0.430 1.00 35.51 H new ATOM 0 HE2 TYR A 106 -21.504 2.143 4.106 1.00 5.14 H new ATOM 0 HH TYR A 106 -22.728 2.609 2.398 1.00 4.32 H new ATOM 1706 N GLN A 107 -16.530 0.948 1.292 1.00 60.24 N ATOM 1707 CA GLN A 107 -17.048 -0.100 0.408 1.00 12.54 C ATOM 1708 C GLN A 107 -16.098 -1.295 0.480 1.00 53.23 C ATOM 1709 O GLN A 107 -16.493 -2.436 0.702 1.00 14.42 O ATOM 1710 CB GLN A 107 -17.129 0.423 -1.041 1.00 52.44 C ATOM 1711 CG GLN A 107 -18.150 1.558 -1.224 1.00 74.22 C ATOM 1712 CD GLN A 107 -18.048 2.244 -2.581 1.00 63.44 C ATOM 1713 OE1 GLN A 107 -18.926 2.153 -3.436 1.00 41.13 O ATOM 1714 NE2 GLN A 107 -16.977 2.975 -2.815 1.00 23.24 N ATOM 0 H GLN A 107 -16.312 1.812 0.795 1.00 60.24 H new ATOM 0 HA GLN A 107 -18.049 -0.395 0.722 1.00 12.54 H new ATOM 0 HB2 GLN A 107 -16.145 0.777 -1.347 1.00 52.44 H new ATOM 0 HB3 GLN A 107 -17.391 -0.402 -1.703 1.00 52.44 H new ATOM 0 HG2 GLN A 107 -19.156 1.156 -1.102 1.00 74.22 H new ATOM 0 HG3 GLN A 107 -18.005 2.299 -0.438 1.00 74.22 H new ATOM 0 HE21 GLN A 107 -16.247 3.052 -2.107 1.00 23.24 H new ATOM 0 HE22 GLN A 107 -16.878 3.464 -3.705 1.00 23.24 H new ATOM 1723 N ARG A 108 -14.809 -1.005 0.310 1.00 14.11 N ATOM 1724 CA ARG A 108 -13.727 -1.977 0.330 1.00 32.41 C ATOM 1725 C ARG A 108 -13.617 -2.642 1.702 1.00 70.24 C ATOM 1726 O ARG A 108 -13.261 -3.821 1.772 1.00 4.40 O ATOM 1727 CB ARG A 108 -12.415 -1.267 -0.049 1.00 64.55 C ATOM 1728 CG ARG A 108 -12.494 -0.311 -1.257 1.00 34.44 C ATOM 1729 CD ARG A 108 -12.842 -1.067 -2.544 1.00 33.12 C ATOM 1730 NE ARG A 108 -12.447 -0.330 -3.754 1.00 43.32 N ATOM 1731 CZ ARG A 108 -12.758 -0.669 -5.010 1.00 32.22 C ATOM 1732 NH1 ARG A 108 -13.480 -1.755 -5.261 1.00 62.43 N ATOM 1733 NH2 ARG A 108 -12.339 0.091 -6.018 1.00 31.04 N ATOM 0 H ARG A 108 -14.482 -0.052 0.149 1.00 14.11 H new ATOM 0 HA ARG A 108 -13.932 -2.766 -0.394 1.00 32.41 H new ATOM 0 HB2 ARG A 108 -12.067 -0.702 0.816 1.00 64.55 H new ATOM 0 HB3 ARG A 108 -11.661 -2.026 -0.259 1.00 64.55 H new ATOM 0 HG2 ARG A 108 -13.246 0.455 -1.068 1.00 34.44 H new ATOM 0 HG3 ARG A 108 -11.540 0.202 -1.381 1.00 34.44 H new ATOM 0 HD2 ARG A 108 -12.347 -2.038 -2.536 1.00 33.12 H new ATOM 0 HD3 ARG A 108 -13.915 -1.256 -2.572 1.00 33.12 H new ATOM 0 HE ARG A 108 -11.887 0.513 -3.624 1.00 43.32 H new ATOM 0 HH11 ARG A 108 -13.804 -2.341 -4.492 1.00 62.43 H new ATOM 0 HH12 ARG A 108 -13.711 -2.003 -6.223 1.00 62.43 H new ATOM 0 HH21 ARG A 108 -11.784 0.926 -5.831 1.00 31.04 H new ATOM 0 HH22 ARG A 108 -12.572 -0.161 -6.978 1.00 31.04 H new ATOM 1747 N TYR A 109 -13.916 -1.900 2.777 1.00 21.13 N ATOM 1748 CA TYR A 109 -13.864 -2.417 4.135 1.00 10.23 C ATOM 1749 C TYR A 109 -15.025 -3.383 4.350 1.00 73.14 C ATOM 1750 O TYR A 109 -14.795 -4.517 4.758 1.00 63.03 O ATOM 1751 CB TYR A 109 -13.890 -1.255 5.146 1.00 30.11 C ATOM 1752 CG TYR A 109 -13.753 -1.638 6.611 1.00 22.44 C ATOM 1753 CD1 TYR A 109 -14.823 -2.252 7.297 1.00 2.34 C ATOM 1754 CD2 TYR A 109 -12.560 -1.359 7.308 1.00 42.40 C ATOM 1755 CE1 TYR A 109 -14.680 -2.627 8.647 1.00 71.01 C ATOM 1756 CE2 TYR A 109 -12.425 -1.713 8.662 1.00 2.01 C ATOM 1757 CZ TYR A 109 -13.475 -2.370 9.337 1.00 24.32 C ATOM 1758 OH TYR A 109 -13.308 -2.743 10.637 1.00 43.44 O ATOM 0 H TYR A 109 -14.201 -0.922 2.720 1.00 21.13 H new ATOM 0 HA TYR A 109 -12.933 -2.962 4.291 1.00 10.23 H new ATOM 0 HB2 TYR A 109 -13.085 -0.565 4.895 1.00 30.11 H new ATOM 0 HB3 TYR A 109 -14.826 -0.712 5.020 1.00 30.11 H new ATOM 0 HD1 TYR A 109 -15.756 -2.435 6.784 1.00 2.34 H new ATOM 0 HD2 TYR A 109 -11.743 -0.870 6.798 1.00 42.40 H new ATOM 0 HE1 TYR A 109 -15.497 -3.114 9.158 1.00 71.01 H new ATOM 0 HE2 TYR A 109 -11.511 -1.480 9.189 1.00 2.01 H new ATOM 0 HH TYR A 109 -12.413 -2.482 10.940 1.00 43.44 H new ATOM 1768 N GLN A 110 -16.263 -2.965 4.073 1.00 74.34 N ATOM 1769 CA GLN A 110 -17.446 -3.802 4.256 1.00 22.45 C ATOM 1770 C GLN A 110 -17.399 -5.049 3.375 1.00 4.21 C ATOM 1771 O GLN A 110 -17.963 -6.069 3.755 1.00 73.40 O ATOM 1772 CB GLN A 110 -18.774 -3.030 4.119 1.00 23.04 C ATOM 1773 CG GLN A 110 -19.067 -2.527 2.697 1.00 23.34 C ATOM 1774 CD GLN A 110 -20.381 -1.764 2.537 1.00 33.43 C ATOM 1775 OE1 GLN A 110 -21.016 -1.827 1.488 1.00 64.44 O ATOM 1776 NE2 GLN A 110 -20.821 -0.970 3.495 1.00 0.40 N ATOM 0 H GLN A 110 -16.471 -2.033 3.714 1.00 74.34 H new ATOM 0 HA GLN A 110 -17.419 -4.139 5.292 1.00 22.45 H new ATOM 0 HB2 GLN A 110 -19.591 -3.676 4.439 1.00 23.04 H new ATOM 0 HB3 GLN A 110 -18.757 -2.177 4.798 1.00 23.04 H new ATOM 0 HG2 GLN A 110 -18.249 -1.880 2.381 1.00 23.34 H new ATOM 0 HG3 GLN A 110 -19.077 -3.382 2.021 1.00 23.34 H new ATOM 0 HE21 GLN A 110 -20.310 -0.901 4.375 1.00 0.40 H new ATOM 0 HE22 GLN A 110 -21.672 -0.425 3.355 1.00 0.40 H new ATOM 1785 N GLU A 111 -16.744 -4.967 2.211 1.00 13.52 N ATOM 1786 CA GLU A 111 -16.634 -6.081 1.275 1.00 11.14 C ATOM 1787 C GLU A 111 -16.083 -7.322 1.983 1.00 4.12 C ATOM 1788 O GLU A 111 -16.560 -8.427 1.737 1.00 72.14 O ATOM 1789 CB GLU A 111 -15.718 -5.674 0.097 1.00 31.21 C ATOM 1790 CG GLU A 111 -16.476 -5.305 -1.185 1.00 62.25 C ATOM 1791 CD GLU A 111 -16.268 -6.352 -2.285 1.00 25.42 C ATOM 1792 OE1 GLU A 111 -15.587 -6.065 -3.300 1.00 24.13 O ATOM 1793 OE2 GLU A 111 -16.733 -7.506 -2.125 1.00 72.15 O ATOM 0 H GLU A 111 -16.274 -4.119 1.894 1.00 13.52 H new ATOM 0 HA GLU A 111 -17.624 -6.325 0.889 1.00 11.14 H new ATOM 0 HB2 GLU A 111 -15.107 -4.825 0.402 1.00 31.21 H new ATOM 0 HB3 GLU A 111 -15.036 -6.496 -0.120 1.00 31.21 H new ATOM 0 HG2 GLU A 111 -17.540 -5.213 -0.966 1.00 62.25 H new ATOM 0 HG3 GLU A 111 -16.139 -4.331 -1.540 1.00 62.25 H new ATOM 1800 N ARG A 112 -15.032 -7.173 2.802 1.00 72.44 N ATOM 1801 CA ARG A 112 -14.419 -8.284 3.543 1.00 64.24 C ATOM 1802 C ARG A 112 -14.732 -8.287 5.028 1.00 13.34 C ATOM 1803 O ARG A 112 -15.037 -9.329 5.605 1.00 42.12 O ATOM 1804 CB ARG A 112 -12.906 -8.320 3.291 1.00 12.42 C ATOM 1805 CG ARG A 112 -12.643 -8.672 1.822 1.00 4.21 C ATOM 1806 CD ARG A 112 -11.169 -8.979 1.550 1.00 33.33 C ATOM 1807 NE ARG A 112 -10.999 -9.219 0.112 1.00 61.13 N ATOM 1808 CZ ARG A 112 -10.943 -10.394 -0.518 1.00 75.14 C ATOM 1809 NH1 ARG A 112 -10.646 -11.523 0.125 1.00 42.14 N ATOM 1810 NH2 ARG A 112 -11.201 -10.416 -1.817 1.00 43.32 N ATOM 0 H ARG A 112 -14.581 -6.274 2.970 1.00 72.44 H new ATOM 0 HA ARG A 112 -14.872 -9.197 3.156 1.00 64.24 H new ATOM 0 HB2 ARG A 112 -12.463 -7.353 3.530 1.00 12.42 H new ATOM 0 HB3 ARG A 112 -12.435 -9.056 3.943 1.00 12.42 H new ATOM 0 HG2 ARG A 112 -13.248 -9.535 1.544 1.00 4.21 H new ATOM 0 HG3 ARG A 112 -12.961 -7.843 1.190 1.00 4.21 H new ATOM 0 HD2 ARG A 112 -10.543 -8.146 1.871 1.00 33.33 H new ATOM 0 HD3 ARG A 112 -10.853 -9.853 2.120 1.00 33.33 H new ATOM 0 HE ARG A 112 -10.914 -8.389 -0.475 1.00 61.13 H new ATOM 0 HH11 ARG A 112 -10.454 -11.504 1.127 1.00 42.14 H new ATOM 0 HH12 ARG A 112 -10.611 -12.406 -0.384 1.00 42.14 H new ATOM 0 HH21 ARG A 112 -11.434 -9.551 -2.305 1.00 43.32 H new ATOM 0 HH22 ARG A 112 -11.167 -11.298 -2.329 1.00 43.32 H new ATOM 1824 N TYR A 113 -14.601 -7.125 5.656 1.00 33.23 N ATOM 1825 CA TYR A 113 -14.799 -6.873 7.072 1.00 55.10 C ATOM 1826 C TYR A 113 -16.239 -6.431 7.392 1.00 3.42 C ATOM 1827 O TYR A 113 -16.456 -5.686 8.351 1.00 2.13 O ATOM 1828 CB TYR A 113 -13.755 -5.833 7.519 1.00 4.10 C ATOM 1829 CG TYR A 113 -12.375 -5.889 6.869 1.00 63.24 C ATOM 1830 CD1 TYR A 113 -11.856 -4.732 6.260 1.00 74.11 C ATOM 1831 CD2 TYR A 113 -11.594 -7.061 6.877 1.00 74.22 C ATOM 1832 CE1 TYR A 113 -10.590 -4.727 5.654 1.00 32.11 C ATOM 1833 CE2 TYR A 113 -10.313 -7.067 6.290 1.00 61.33 C ATOM 1834 CZ TYR A 113 -9.805 -5.897 5.678 1.00 10.02 C ATOM 1835 OH TYR A 113 -8.559 -5.882 5.135 1.00 41.20 O ATOM 0 H TYR A 113 -14.336 -6.279 5.152 1.00 33.23 H new ATOM 0 HA TYR A 113 -14.657 -7.798 7.631 1.00 55.10 H new ATOM 0 HB2 TYR A 113 -14.171 -4.842 7.339 1.00 4.10 H new ATOM 0 HB3 TYR A 113 -13.623 -5.932 8.596 1.00 4.10 H new ATOM 0 HD1 TYR A 113 -12.445 -3.827 6.259 1.00 74.11 H new ATOM 0 HD2 TYR A 113 -11.979 -7.960 7.335 1.00 74.22 H new ATOM 0 HE1 TYR A 113 -10.220 -3.833 5.173 1.00 32.11 H new ATOM 0 HE2 TYR A 113 -9.717 -7.968 6.307 1.00 61.33 H new ATOM 0 HH TYR A 113 -8.468 -5.103 4.547 1.00 41.20 H new ATOM 1845 N GLY A 114 -17.216 -6.804 6.570 1.00 42.42 N ATOM 1846 CA GLY A 114 -18.635 -6.506 6.713 1.00 73.33 C ATOM 1847 C GLY A 114 -19.444 -7.617 6.037 1.00 1.42 C ATOM 1848 O GLY A 114 -18.897 -8.678 5.719 1.00 12.01 O ATOM 0 H GLY A 114 -17.024 -7.357 5.735 1.00 42.42 H new ATOM 0 HA2 GLY A 114 -18.901 -6.434 7.768 1.00 73.33 H new ATOM 0 HA3 GLY A 114 -18.866 -5.542 6.260 1.00 73.33 H new ATOM 1852 N ASN A 115 -20.754 -7.406 5.871 1.00 73.44 N ATOM 1853 CA ASN A 115 -21.624 -8.397 5.236 1.00 50.23 C ATOM 1854 C ASN A 115 -21.242 -8.536 3.769 1.00 34.45 C ATOM 1855 O ASN A 115 -21.147 -7.529 3.064 1.00 1.42 O ATOM 1856 CB ASN A 115 -23.105 -8.002 5.311 1.00 53.53 C ATOM 1857 CG ASN A 115 -23.706 -8.169 6.697 1.00 15.50 C ATOM 1858 OD1 ASN A 115 -23.477 -9.172 7.363 1.00 40.41 O ATOM 1859 ND2 ASN A 115 -24.490 -7.203 7.149 1.00 35.55 N ATOM 0 H ASN A 115 -21.234 -6.556 6.168 1.00 73.44 H new ATOM 0 HA ASN A 115 -21.491 -9.337 5.772 1.00 50.23 H new ATOM 0 HB2 ASN A 115 -23.212 -6.963 5.000 1.00 53.53 H new ATOM 0 HB3 ASN A 115 -23.671 -8.607 4.603 1.00 53.53 H new ATOM 0 HD21 ASN A 115 -24.919 -7.284 8.071 1.00 35.55 H new ATOM 0 HD22 ASN A 115 -24.665 -6.378 6.575 1.00 35.55 H new ATOM 1866 N LYS A 116 -21.089 -9.772 3.292 1.00 14.54 N ATOM 1867 CA LYS A 116 -20.734 -10.068 1.904 1.00 42.11 C ATOM 1868 C LYS A 116 -21.947 -9.878 0.972 1.00 25.23 C ATOM 1869 O LYS A 116 -22.896 -9.150 1.292 1.00 55.34 O ATOM 1870 CB LYS A 116 -20.125 -11.479 1.777 1.00 75.14 C ATOM 1871 CG LYS A 116 -19.283 -11.978 2.955 1.00 60.13 C ATOM 1872 CD LYS A 116 -18.579 -13.299 2.615 1.00 11.05 C ATOM 1873 CE LYS A 116 -18.030 -13.947 3.890 1.00 21.03 C ATOM 1874 NZ LYS A 116 -19.082 -14.669 4.637 1.00 25.24 N ATOM 0 H LYS A 116 -21.210 -10.606 3.866 1.00 14.54 H new ATOM 0 HA LYS A 116 -19.969 -9.358 1.589 1.00 42.11 H new ATOM 0 HB2 LYS A 116 -20.939 -12.187 1.617 1.00 75.14 H new ATOM 0 HB3 LYS A 116 -19.503 -11.501 0.882 1.00 75.14 H new ATOM 0 HG2 LYS A 116 -18.541 -11.225 3.219 1.00 60.13 H new ATOM 0 HG3 LYS A 116 -19.921 -12.117 3.828 1.00 60.13 H new ATOM 0 HD2 LYS A 116 -19.278 -13.977 2.125 1.00 11.05 H new ATOM 0 HD3 LYS A 116 -17.766 -13.116 1.912 1.00 11.05 H new ATOM 0 HE2 LYS A 116 -17.229 -14.639 3.630 1.00 21.03 H new ATOM 0 HE3 LYS A 116 -17.593 -13.179 4.528 1.00 21.03 H new ATOM 0 HZ1 LYS A 116 -18.671 -15.093 5.493 1.00 25.24 H new ATOM 0 HZ2 LYS A 116 -19.834 -14.004 4.907 1.00 25.24 H new ATOM 0 HZ3 LYS A 116 -19.482 -15.418 4.037 1.00 25.24 H new ATOM 1888 N LYS A 117 -21.909 -10.470 -0.226 1.00 71.33 N ATOM 1889 CA LYS A 117 -22.980 -10.398 -1.221 1.00 60.23 C ATOM 1890 C LYS A 117 -23.671 -11.761 -1.286 1.00 30.10 C ATOM 1891 O LYS A 117 -23.033 -12.779 -1.013 1.00 41.52 O ATOM 1892 CB LYS A 117 -22.371 -9.988 -2.579 1.00 51.31 C ATOM 1893 CG LYS A 117 -23.324 -9.160 -3.449 1.00 61.13 C ATOM 1894 CD LYS A 117 -23.454 -7.711 -2.950 1.00 20.32 C ATOM 1895 CE LYS A 117 -24.539 -6.976 -3.738 1.00 14.42 C ATOM 1896 NZ LYS A 117 -24.591 -5.534 -3.424 1.00 30.02 N ATOM 0 H LYS A 117 -21.112 -11.026 -0.537 1.00 71.33 H new ATOM 0 HA LYS A 117 -23.727 -9.651 -0.953 1.00 60.23 H new ATOM 0 HB2 LYS A 117 -21.461 -9.414 -2.402 1.00 51.31 H new ATOM 0 HB3 LYS A 117 -22.081 -10.886 -3.124 1.00 51.31 H new ATOM 0 HG2 LYS A 117 -22.964 -9.157 -4.478 1.00 61.13 H new ATOM 0 HG3 LYS A 117 -24.308 -9.630 -3.456 1.00 61.13 H new ATOM 0 HD2 LYS A 117 -23.699 -7.705 -1.888 1.00 20.32 H new ATOM 0 HD3 LYS A 117 -22.501 -7.194 -3.060 1.00 20.32 H new ATOM 0 HE2 LYS A 117 -24.358 -7.105 -4.805 1.00 14.42 H new ATOM 0 HE3 LYS A 117 -25.508 -7.426 -3.522 1.00 14.42 H new ATOM 0 HZ1 LYS A 117 -25.342 -5.084 -3.984 1.00 30.02 H new ATOM 0 HZ2 LYS A 117 -24.790 -5.406 -2.411 1.00 30.02 H new ATOM 0 HZ3 LYS A 117 -23.677 -5.095 -3.655 1.00 30.02 H new ATOM 1910 N SER A 118 -24.949 -11.814 -1.660 1.00 42.34 N ATOM 1911 CA SER A 118 -25.720 -13.052 -1.773 1.00 1.21 C ATOM 1912 C SER A 118 -25.359 -13.756 -3.094 1.00 21.33 C ATOM 1913 O SER A 118 -26.232 -14.004 -3.935 1.00 32.31 O ATOM 1914 CB SER A 118 -27.218 -12.710 -1.657 1.00 41.55 C ATOM 1915 OG SER A 118 -28.014 -13.876 -1.598 1.00 23.53 O ATOM 0 H SER A 118 -25.488 -10.981 -1.898 1.00 42.34 H new ATOM 0 HA SER A 118 -25.480 -13.748 -0.969 1.00 1.21 H new ATOM 0 HB2 SER A 118 -27.386 -12.108 -0.764 1.00 41.55 H new ATOM 0 HB3 SER A 118 -27.521 -12.105 -2.511 1.00 41.55 H new ATOM 0 HG SER A 118 -27.886 -14.401 -2.415 1.00 23.53 H new ATOM 1921 N GLN A 119 -24.078 -14.065 -3.322 1.00 54.35 N ATOM 1922 CA GLN A 119 -23.618 -14.715 -4.539 1.00 30.03 C ATOM 1923 C GLN A 119 -22.470 -15.683 -4.270 1.00 12.11 C ATOM 1924 O GLN A 119 -21.342 -15.264 -4.017 1.00 54.53 O ATOM 1925 CB GLN A 119 -23.191 -13.663 -5.576 1.00 65.24 C ATOM 1926 CG GLN A 119 -24.383 -12.943 -6.221 1.00 1.23 C ATOM 1927 CD GLN A 119 -23.953 -12.081 -7.398 1.00 24.20 C ATOM 1928 OE1 GLN A 119 -24.087 -10.861 -7.377 1.00 34.24 O ATOM 1929 NE2 GLN A 119 -23.419 -12.673 -8.450 1.00 24.22 N ATOM 0 H GLN A 119 -23.330 -13.866 -2.657 1.00 54.35 H new ATOM 0 HA GLN A 119 -24.452 -15.295 -4.935 1.00 30.03 H new ATOM 0 HB2 GLN A 119 -22.545 -12.928 -5.096 1.00 65.24 H new ATOM 0 HB3 GLN A 119 -22.600 -14.146 -6.354 1.00 65.24 H new ATOM 0 HG2 GLN A 119 -25.113 -13.679 -6.557 1.00 1.23 H new ATOM 0 HG3 GLN A 119 -24.878 -12.320 -5.476 1.00 1.23 H new ATOM 0 HE21 GLN A 119 -23.309 -13.687 -8.464 1.00 24.22 H new ATOM 0 HE22 GLN A 119 -23.116 -12.116 -9.249 1.00 24.22 H new ATOM 1938 N ASP A 120 -22.768 -16.974 -4.278 1.00 12.12 N ATOM 1939 CA ASP A 120 -21.825 -18.069 -4.102 1.00 22.45 C ATOM 1940 C ASP A 120 -22.487 -19.325 -4.633 1.00 44.10 C ATOM 1941 O ASP A 120 -23.699 -19.501 -4.508 1.00 53.40 O ATOM 1942 CB ASP A 120 -21.403 -18.331 -2.654 1.00 20.25 C ATOM 1943 CG ASP A 120 -20.489 -19.566 -2.574 1.00 73.12 C ATOM 1944 OD1 ASP A 120 -19.506 -19.625 -3.353 1.00 33.24 O ATOM 1945 OD2 ASP A 120 -20.745 -20.468 -1.747 1.00 30.33 O ATOM 0 H ASP A 120 -23.724 -17.303 -4.415 1.00 12.12 H new ATOM 0 HA ASP A 120 -20.916 -17.791 -4.635 1.00 22.45 H new ATOM 0 HB2 ASP A 120 -20.882 -17.459 -2.257 1.00 20.25 H new ATOM 0 HB3 ASP A 120 -22.286 -18.484 -2.034 1.00 20.25 H new ATOM 1950 N LEU A 121 -21.687 -20.141 -5.294 1.00 55.34 N ATOM 1951 CA LEU A 121 -22.023 -21.413 -5.882 1.00 45.11 C ATOM 1952 C LEU A 121 -20.671 -22.055 -6.153 1.00 70.14 C ATOM 1953 O LEU A 121 -19.743 -21.368 -6.598 1.00 51.11 O ATOM 1954 CB LEU A 121 -22.912 -21.316 -7.140 1.00 2.35 C ATOM 1955 CG LEU A 121 -22.271 -20.775 -8.434 1.00 33.21 C ATOM 1956 CD1 LEU A 121 -23.274 -20.903 -9.583 1.00 62.31 C ATOM 1957 CD2 LEU A 121 -21.852 -19.303 -8.336 1.00 72.31 C ATOM 0 H LEU A 121 -20.706 -19.906 -5.442 1.00 55.34 H new ATOM 0 HA LEU A 121 -22.645 -22.010 -5.215 1.00 45.11 H new ATOM 0 HB2 LEU A 121 -23.303 -22.311 -7.351 1.00 2.35 H new ATOM 0 HB3 LEU A 121 -23.765 -20.682 -6.899 1.00 2.35 H new ATOM 0 HG LEU A 121 -21.372 -21.367 -8.606 1.00 33.21 H new ATOM 0 HD11 LEU A 121 -22.826 -20.522 -10.501 1.00 62.31 H new ATOM 0 HD12 LEU A 121 -23.541 -21.951 -9.718 1.00 62.31 H new ATOM 0 HD13 LEU A 121 -24.170 -20.327 -9.350 1.00 62.31 H new ATOM 0 HD21 LEU A 121 -21.409 -18.987 -9.280 1.00 72.31 H new ATOM 0 HD22 LEU A 121 -22.727 -18.689 -8.123 1.00 72.31 H new ATOM 0 HD23 LEU A 121 -21.122 -19.185 -7.535 1.00 72.31 H new ATOM 1969 N LYS A 122 -20.501 -23.316 -5.781 1.00 31.31 N ATOM 1970 CA LYS A 122 -19.251 -24.028 -5.989 1.00 11.22 C ATOM 1971 C LYS A 122 -19.117 -24.262 -7.481 1.00 5.05 C ATOM 1972 O LYS A 122 -20.068 -24.814 -8.074 1.00 50.42 O ATOM 1973 CB LYS A 122 -19.221 -25.327 -5.163 1.00 62.14 C ATOM 1974 CG LYS A 122 -18.318 -25.246 -3.916 1.00 12.42 C ATOM 1975 CD LYS A 122 -18.854 -24.462 -2.703 1.00 11.31 C ATOM 1976 CE LYS A 122 -19.107 -22.954 -2.877 1.00 55.44 C ATOM 1977 NZ LYS A 122 -17.897 -22.125 -3.046 1.00 32.31 N ATOM 0 H LYS A 122 -21.226 -23.872 -5.327 1.00 31.31 H new ATOM 0 HA LYS A 122 -18.395 -23.449 -5.642 1.00 11.22 H new ATOM 0 HB2 LYS A 122 -20.236 -25.572 -4.851 1.00 62.14 H new ATOM 0 HB3 LYS A 122 -18.877 -26.143 -5.798 1.00 62.14 H new ATOM 0 HG2 LYS A 122 -18.101 -26.263 -3.590 1.00 12.42 H new ATOM 0 HG3 LYS A 122 -17.370 -24.798 -4.215 1.00 12.42 H new ATOM 0 HD2 LYS A 122 -19.791 -24.925 -2.393 1.00 11.31 H new ATOM 0 HD3 LYS A 122 -18.148 -24.590 -1.883 1.00 11.31 H new ATOM 0 HE2 LYS A 122 -19.751 -22.808 -3.744 1.00 55.44 H new ATOM 0 HE3 LYS A 122 -19.656 -22.592 -2.008 1.00 55.44 H new ATOM 0 HZ1 LYS A 122 -18.173 -21.133 -3.189 1.00 32.31 H new ATOM 0 HZ2 LYS A 122 -17.303 -22.200 -2.195 1.00 32.31 H new ATOM 0 HZ3 LYS A 122 -17.361 -22.458 -3.873 1.00 32.31 H new TER 1991 LYS A 122