USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 38 SER OG : rot -82:sc= 0.0641 USER MOD Set 1.2: A 42 ASN : amide:sc= -5.39! C(o=-5.3!,f=-11!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 172:sc= -1.1 (180deg=-1.32) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 LYS NZ :NH3+ 164:sc= -0.258 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -3.63 K(o=-3.9,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0214) USER MOD Single : A 2 HIS : no HD1:sc=-0.00345 X(o=-0.0034,f=-0.0081) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 5 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.36) USER MOD Single : A 6 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-3!,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.36 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= 0.0349 X(o=0.035,f=-0.17) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 155:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.234 F(o=-2.2,f=-0.23) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -104:sc= 1.58 USER MOD Single : A 46 THR OG1 : rot -159:sc= -1.86 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.195 F(o=-2.4!,f=-0.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.029 23.336 -4.561 1.00 54.43 N ATOM 2 CA MET A 1 3.264 22.942 -5.739 1.00 13.23 C ATOM 3 C MET A 1 3.523 21.481 -6.092 1.00 4.15 C ATOM 4 O MET A 1 4.655 21.003 -6.007 1.00 43.42 O ATOM 5 CB MET A 1 3.619 23.837 -6.927 1.00 45.15 C ATOM 6 CG MET A 1 3.118 25.265 -6.785 1.00 75.20 C ATOM 7 SD MET A 1 1.853 25.681 -8.001 1.00 32.11 S ATOM 8 CE MET A 1 1.086 27.099 -7.220 1.00 32.41 C ATOM 0 H1 MET A 1 3.701 24.265 -4.229 1.00 54.43 H new ATOM 0 H2 MET A 1 3.894 22.632 -3.808 1.00 54.43 H new ATOM 0 H3 MET A 1 5.038 23.392 -4.805 1.00 54.43 H new ATOM 0 HA MET A 1 2.205 23.059 -5.509 1.00 13.23 H new ATOM 0 HB2 MET A 1 4.702 23.851 -7.049 1.00 45.15 H new ATOM 0 HB3 MET A 1 3.201 23.403 -7.836 1.00 45.15 H new ATOM 0 HG2 MET A 1 2.713 25.406 -5.783 1.00 75.20 H new ATOM 0 HG3 MET A 1 3.957 25.953 -6.890 1.00 75.20 H new ATOM 0 HE1 MET A 1 0.281 27.472 -7.853 1.00 32.41 H new ATOM 0 HE2 MET A 1 0.680 26.806 -6.252 1.00 32.41 H new ATOM 0 HE3 MET A 1 1.830 27.883 -7.079 1.00 32.41 H new ATOM 18 N HIS A 2 2.468 20.776 -6.487 1.00 23.33 N ATOM 19 CA HIS A 2 2.583 19.368 -6.853 1.00 10.44 C ATOM 20 C HIS A 2 3.031 18.531 -5.658 1.00 45.35 C ATOM 21 O HIS A 2 3.501 19.066 -4.654 1.00 3.33 O ATOM 22 CB HIS A 2 3.570 19.199 -8.008 1.00 75.14 C ATOM 23 CG HIS A 2 3.312 20.126 -9.156 1.00 71.55 C ATOM 24 ND1 HIS A 2 4.317 20.789 -9.828 1.00 72.24 N ATOM 25 CD2 HIS A 2 2.154 20.497 -9.752 1.00 65.31 C ATOM 26 CE1 HIS A 2 3.789 21.529 -10.787 1.00 14.35 C ATOM 27 NE2 HIS A 2 2.478 21.369 -10.762 1.00 13.42 N ATOM 0 H HIS A 2 1.524 21.156 -6.562 1.00 23.33 H new ATOM 0 HA HIS A 2 1.601 19.019 -7.171 1.00 10.44 H new ATOM 0 HB2 HIS A 2 4.582 19.365 -7.638 1.00 75.14 H new ATOM 0 HB3 HIS A 2 3.526 18.170 -8.365 1.00 75.14 H new ATOM 0 HD2 HIS A 2 1.161 20.168 -9.483 1.00 65.31 H new ATOM 0 HE1 HIS A 2 4.336 22.157 -11.474 1.00 14.35 H new ATOM 0 HE2 HIS A 2 1.814 21.820 -11.391 1.00 13.42 H new ATOM 35 N HIS A 3 2.883 17.216 -5.775 1.00 34.52 N ATOM 36 CA HIS A 3 3.272 16.304 -4.705 1.00 3.45 C ATOM 37 C HIS A 3 3.893 15.032 -5.273 1.00 41.03 C ATOM 38 O HIS A 3 3.835 13.970 -4.653 1.00 71.31 O ATOM 39 CB HIS A 3 2.062 15.953 -3.840 1.00 34.44 C ATOM 40 CG HIS A 3 1.650 17.052 -2.910 1.00 55.52 C ATOM 41 ND1 HIS A 3 0.817 18.084 -3.288 1.00 15.40 N ATOM 42 CD2 HIS A 3 1.959 17.277 -1.612 1.00 22.02 C ATOM 43 CE1 HIS A 3 0.633 18.897 -2.263 1.00 21.03 C ATOM 44 NE2 HIS A 3 1.315 18.429 -1.233 1.00 44.20 N ATOM 0 H HIS A 3 2.496 16.757 -6.600 1.00 34.52 H new ATOM 0 HA HIS A 3 4.017 16.806 -4.087 1.00 3.45 H new ATOM 0 HB2 HIS A 3 1.222 15.704 -4.489 1.00 34.44 H new ATOM 0 HB3 HIS A 3 2.290 15.061 -3.256 1.00 34.44 H new ATOM 0 HD2 HIS A 3 2.594 16.664 -0.990 1.00 22.02 H new ATOM 0 HE1 HIS A 3 0.028 19.792 -2.267 1.00 21.03 H new ATOM 0 HE2 HIS A 3 1.356 18.854 -0.307 1.00 44.20 H new ATOM 52 N HIS A 4 4.486 15.147 -6.457 1.00 65.22 N ATOM 53 CA HIS A 4 5.118 14.005 -7.110 1.00 10.33 C ATOM 54 C HIS A 4 4.111 12.881 -7.333 1.00 14.41 C ATOM 55 O HIS A 4 3.983 11.975 -6.509 1.00 2.32 O ATOM 56 CB HIS A 4 6.290 13.496 -6.271 1.00 24.10 C ATOM 57 CG HIS A 4 7.298 14.555 -5.945 1.00 21.24 C ATOM 58 ND1 HIS A 4 7.602 14.932 -4.654 1.00 24.13 N ATOM 59 CD2 HIS A 4 8.074 15.317 -6.750 1.00 61.24 C ATOM 60 CE1 HIS A 4 8.521 15.881 -4.679 1.00 54.35 C ATOM 61 NE2 HIS A 4 8.824 16.133 -5.940 1.00 65.10 N ATOM 0 H HIS A 4 4.542 16.019 -6.984 1.00 65.22 H new ATOM 0 HA HIS A 4 5.491 14.333 -8.080 1.00 10.33 H new ATOM 0 HB2 HIS A 4 5.905 13.074 -5.343 1.00 24.10 H new ATOM 0 HB3 HIS A 4 6.786 12.687 -6.807 1.00 24.10 H new ATOM 0 HD2 HIS A 4 8.099 15.289 -7.829 1.00 61.24 H new ATOM 0 HE1 HIS A 4 8.951 16.368 -3.816 1.00 54.35 H new ATOM 0 HE2 HIS A 4 9.505 16.822 -6.260 1.00 65.10 H new ATOM 69 N HIS A 5 3.396 12.947 -8.452 1.00 42.10 N ATOM 70 CA HIS A 5 2.400 11.935 -8.783 1.00 74.24 C ATOM 71 C HIS A 5 2.517 11.515 -10.245 1.00 50.05 C ATOM 72 O HIS A 5 3.016 12.270 -11.081 1.00 23.24 O ATOM 73 CB HIS A 5 0.992 12.463 -8.504 1.00 5.52 C ATOM 74 CG HIS A 5 0.499 12.152 -7.124 1.00 51.54 C ATOM 75 ND1 HIS A 5 0.627 10.909 -6.542 1.00 3.45 N ATOM 76 CD2 HIS A 5 -0.125 12.932 -6.211 1.00 0.24 C ATOM 77 CE1 HIS A 5 0.102 10.937 -5.330 1.00 3.44 C ATOM 78 NE2 HIS A 5 -0.361 12.154 -5.104 1.00 62.32 N ATOM 0 H HIS A 5 3.488 13.690 -9.144 1.00 42.10 H new ATOM 0 HA HIS A 5 2.584 11.062 -8.156 1.00 74.24 H new ATOM 0 HB2 HIS A 5 0.982 13.543 -8.650 1.00 5.52 H new ATOM 0 HB3 HIS A 5 0.302 12.037 -9.232 1.00 5.52 H new ATOM 0 HD2 HIS A 5 -0.388 13.973 -6.331 1.00 0.24 H new ATOM 0 HE1 HIS A 5 0.059 10.106 -4.641 1.00 3.44 H new ATOM 0 HE2 HIS A 5 -0.819 12.465 -4.247 1.00 62.32 H new ATOM 86 N HIS A 6 2.054 10.306 -10.548 1.00 44.11 N ATOM 87 CA HIS A 6 2.108 9.786 -11.910 1.00 32.23 C ATOM 88 C HIS A 6 0.725 9.808 -12.554 1.00 42.04 C ATOM 89 O HIS A 6 0.424 8.995 -13.429 1.00 15.12 O ATOM 90 CB HIS A 6 2.662 8.361 -11.912 1.00 72.23 C ATOM 91 CG HIS A 6 3.345 7.986 -13.191 1.00 43.23 C ATOM 92 ND1 HIS A 6 4.714 8.033 -13.355 1.00 33.52 N ATOM 93 CD2 HIS A 6 2.841 7.555 -14.371 1.00 42.32 C ATOM 94 CE1 HIS A 6 5.022 7.648 -14.581 1.00 14.04 C ATOM 95 NE2 HIS A 6 3.903 7.352 -15.218 1.00 1.41 N ATOM 0 H HIS A 6 1.638 9.669 -9.869 1.00 44.11 H new ATOM 0 HA HIS A 6 2.771 10.426 -12.492 1.00 32.23 H new ATOM 0 HB2 HIS A 6 3.367 8.253 -11.088 1.00 72.23 H new ATOM 0 HB3 HIS A 6 1.846 7.662 -11.727 1.00 72.23 H new ATOM 0 HD2 HIS A 6 1.798 7.400 -14.603 1.00 42.32 H new ATOM 0 HE1 HIS A 6 6.019 7.586 -14.992 1.00 14.04 H new ATOM 0 HE2 HIS A 6 3.838 7.026 -16.182 1.00 1.41 H new ATOM 103 N HIS A 7 -0.112 10.743 -12.116 1.00 42.24 N ATOM 104 CA HIS A 7 -1.463 10.871 -12.651 1.00 20.12 C ATOM 105 C HIS A 7 -2.285 9.620 -12.354 1.00 11.40 C ATOM 106 O HIS A 7 -1.735 8.566 -12.039 1.00 31.22 O ATOM 107 CB HIS A 7 -1.416 11.119 -14.159 1.00 33.41 C ATOM 108 CG HIS A 7 -1.689 12.541 -14.541 1.00 31.10 C ATOM 109 ND1 HIS A 7 -2.962 13.045 -14.705 1.00 41.12 N ATOM 110 CD2 HIS A 7 -0.844 13.568 -14.790 1.00 1.43 C ATOM 111 CE1 HIS A 7 -2.888 14.321 -15.040 1.00 62.12 C ATOM 112 NE2 HIS A 7 -1.613 14.663 -15.098 1.00 15.22 N ATOM 0 H HIS A 7 0.121 11.423 -11.392 1.00 42.24 H new ATOM 0 HA HIS A 7 -1.941 11.722 -12.166 1.00 20.12 H new ATOM 0 HB2 HIS A 7 -0.434 10.832 -14.536 1.00 33.41 H new ATOM 0 HB3 HIS A 7 -2.146 10.474 -14.648 1.00 33.41 H new ATOM 0 HD2 HIS A 7 0.235 13.533 -14.753 1.00 1.43 H new ATOM 0 HE1 HIS A 7 -3.727 14.973 -15.233 1.00 62.12 H new ATOM 0 HE2 HIS A 7 -1.258 15.590 -15.333 1.00 15.22 H new ATOM 120 N GLU A 8 -3.604 9.747 -12.456 1.00 55.23 N ATOM 121 CA GLU A 8 -4.501 8.627 -12.197 1.00 32.01 C ATOM 122 C GLU A 8 -5.917 8.942 -12.671 1.00 40.31 C ATOM 123 O GLU A 8 -6.719 9.513 -11.931 1.00 61.34 O ATOM 124 CB GLU A 8 -4.515 8.291 -10.704 1.00 64.43 C ATOM 125 CG GLU A 8 -4.825 6.832 -10.412 1.00 3.23 C ATOM 126 CD GLU A 8 -4.816 6.520 -8.928 1.00 13.32 C ATOM 127 OE1 GLU A 8 -5.607 7.142 -8.187 1.00 44.11 O ATOM 128 OE2 GLU A 8 -4.020 5.655 -8.507 1.00 51.43 O ATOM 0 H GLU A 8 -4.075 10.614 -12.716 1.00 55.23 H new ATOM 0 HA GLU A 8 -4.133 7.765 -12.754 1.00 32.01 H new ATOM 0 HB2 GLU A 8 -3.545 8.541 -10.275 1.00 64.43 H new ATOM 0 HB3 GLU A 8 -5.255 8.918 -10.206 1.00 64.43 H new ATOM 0 HG2 GLU A 8 -5.802 6.582 -10.826 1.00 3.23 H new ATOM 0 HG3 GLU A 8 -4.094 6.201 -10.917 1.00 3.23 H new ATOM 135 N VAL A 9 -6.217 8.567 -13.911 1.00 1.34 N ATOM 136 CA VAL A 9 -7.535 8.809 -14.485 1.00 32.14 C ATOM 137 C VAL A 9 -8.104 7.540 -15.109 1.00 63.24 C ATOM 138 O VAL A 9 -8.181 7.400 -16.330 1.00 70.02 O ATOM 139 CB VAL A 9 -7.488 9.917 -15.553 1.00 44.22 C ATOM 140 CG1 VAL A 9 -8.883 10.205 -16.087 1.00 65.31 C ATOM 141 CG2 VAL A 9 -6.855 11.178 -14.984 1.00 51.33 C ATOM 0 H VAL A 9 -5.565 8.094 -14.537 1.00 1.34 H new ATOM 0 HA VAL A 9 -8.181 9.130 -13.668 1.00 32.14 H new ATOM 0 HB VAL A 9 -6.872 9.571 -16.383 1.00 44.22 H new ATOM 0 HG11 VAL A 9 -8.829 10.991 -16.841 1.00 65.31 H new ATOM 0 HG12 VAL A 9 -9.295 9.301 -16.535 1.00 65.31 H new ATOM 0 HG13 VAL A 9 -9.526 10.530 -15.269 1.00 65.31 H new ATOM 0 HG21 VAL A 9 -6.830 11.951 -15.752 1.00 51.33 H new ATOM 0 HG22 VAL A 9 -7.442 11.529 -14.135 1.00 51.33 H new ATOM 0 HG23 VAL A 9 -5.839 10.959 -14.656 1.00 51.33 H new ATOM 151 N PRO A 10 -8.512 6.591 -14.254 1.00 32.11 N ATOM 152 CA PRO A 10 -9.082 5.316 -14.699 1.00 72.12 C ATOM 153 C PRO A 10 -10.463 5.485 -15.324 1.00 62.12 C ATOM 154 O PRO A 10 -11.478 5.182 -14.698 1.00 71.12 O ATOM 155 CB PRO A 10 -9.176 4.499 -13.408 1.00 51.11 C ATOM 156 CG PRO A 10 -9.266 5.515 -12.323 1.00 14.54 C ATOM 157 CD PRO A 10 -8.450 6.690 -12.786 1.00 63.00 C ATOM 0 HA PRO A 10 -8.475 4.847 -15.473 1.00 72.12 H new ATOM 0 HB2 PRO A 10 -10.050 3.848 -13.414 1.00 51.11 H new ATOM 0 HB3 PRO A 10 -8.303 3.859 -13.280 1.00 51.11 H new ATOM 0 HG2 PRO A 10 -10.302 5.805 -12.145 1.00 14.54 H new ATOM 0 HG3 PRO A 10 -8.880 5.118 -11.384 1.00 14.54 H new ATOM 0 HD2 PRO A 10 -8.864 7.633 -12.429 1.00 63.00 H new ATOM 0 HD3 PRO A 10 -7.424 6.635 -12.422 1.00 63.00 H new ATOM 165 N GLN A 11 -10.492 5.970 -16.561 1.00 60.34 N ATOM 166 CA GLN A 11 -11.749 6.179 -17.270 1.00 71.40 C ATOM 167 C GLN A 11 -11.499 6.717 -18.675 1.00 11.12 C ATOM 168 O GLN A 11 -12.200 6.361 -19.622 1.00 72.44 O ATOM 169 CB GLN A 11 -12.643 7.146 -16.492 1.00 21.22 C ATOM 170 CG GLN A 11 -11.943 8.435 -16.094 1.00 5.01 C ATOM 171 CD GLN A 11 -12.041 8.718 -14.608 1.00 23.33 C ATOM 172 OE1 GLN A 11 -11.089 8.197 -13.842 1.00 0.24 O flip ATOM 173 NE2 GLN A 11 -12.962 9.396 -14.153 1.00 1.43 N flip ATOM 0 H GLN A 11 -9.660 6.225 -17.093 1.00 60.34 H new ATOM 0 HA GLN A 11 -12.254 5.217 -17.354 1.00 71.40 H new ATOM 0 HB2 GLN A 11 -13.516 7.389 -17.098 1.00 21.22 H new ATOM 0 HB3 GLN A 11 -13.007 6.648 -15.594 1.00 21.22 H new ATOM 0 HG2 GLN A 11 -10.893 8.377 -16.380 1.00 5.01 H new ATOM 0 HG3 GLN A 11 -12.379 9.267 -16.648 1.00 5.01 H new ATOM 0 HE21 GLN A 11 -13.672 9.777 -14.778 1.00 1.43 H new ATOM 0 HE22 GLN A 11 -13.015 9.577 -13.151 1.00 1.43 H new ATOM 182 N THR A 12 -10.495 7.579 -18.803 1.00 61.11 N ATOM 183 CA THR A 12 -10.153 8.168 -20.092 1.00 11.04 C ATOM 184 C THR A 12 -8.675 8.538 -20.153 1.00 35.35 C ATOM 185 O THR A 12 -7.875 7.838 -20.774 1.00 33.24 O ATOM 186 CB THR A 12 -10.997 9.425 -20.376 1.00 71.33 C ATOM 187 OG1 THR A 12 -10.936 10.319 -19.260 1.00 11.22 O ATOM 188 CG2 THR A 12 -12.445 9.052 -20.655 1.00 54.04 C ATOM 0 H THR A 12 -9.904 7.885 -18.030 1.00 61.11 H new ATOM 0 HA THR A 12 -10.368 7.415 -20.851 1.00 11.04 H new ATOM 0 HB THR A 12 -10.589 9.918 -21.258 1.00 71.33 H new ATOM 0 HG1 THR A 12 -11.474 11.116 -19.450 1.00 11.22 H new ATOM 0 HG21 THR A 12 -13.022 9.955 -20.853 1.00 54.04 H new ATOM 0 HG22 THR A 12 -12.491 8.395 -21.524 1.00 54.04 H new ATOM 0 HG23 THR A 12 -12.862 8.538 -19.789 1.00 54.04 H new ATOM 196 N PHE A 13 -8.319 9.641 -19.504 1.00 11.34 N ATOM 197 CA PHE A 13 -6.936 10.104 -19.484 1.00 54.15 C ATOM 198 C PHE A 13 -6.778 11.305 -18.557 1.00 2.31 C ATOM 199 O PHE A 13 -5.822 11.384 -17.786 1.00 11.52 O ATOM 200 CB PHE A 13 -6.480 10.473 -20.898 1.00 31.14 C ATOM 201 CG PHE A 13 -7.571 11.061 -21.745 1.00 54.44 C ATOM 202 CD1 PHE A 13 -7.928 12.394 -21.613 1.00 23.31 C ATOM 203 CD2 PHE A 13 -8.241 10.282 -22.675 1.00 34.24 C ATOM 204 CE1 PHE A 13 -8.931 12.938 -22.392 1.00 12.52 C ATOM 205 CE2 PHE A 13 -9.245 10.821 -23.457 1.00 13.15 C ATOM 206 CZ PHE A 13 -9.592 12.151 -23.314 1.00 64.31 C ATOM 0 H PHE A 13 -8.969 10.231 -18.985 1.00 11.34 H new ATOM 0 HA PHE A 13 -6.312 9.293 -19.108 1.00 54.15 H new ATOM 0 HB2 PHE A 13 -5.658 11.186 -20.832 1.00 31.14 H new ATOM 0 HB3 PHE A 13 -6.090 9.582 -21.389 1.00 31.14 H new ATOM 0 HD1 PHE A 13 -7.416 13.015 -20.893 1.00 23.31 H new ATOM 0 HD2 PHE A 13 -7.975 9.241 -22.790 1.00 34.24 H new ATOM 0 HE1 PHE A 13 -9.198 13.978 -22.280 1.00 12.52 H new ATOM 0 HE2 PHE A 13 -9.758 10.203 -24.179 1.00 13.15 H new ATOM 0 HZ PHE A 13 -10.378 12.574 -23.922 1.00 64.31 H new ATOM 216 N GLU A 14 -7.722 12.238 -18.639 1.00 63.22 N ATOM 217 CA GLU A 14 -7.686 13.436 -17.808 1.00 63.54 C ATOM 218 C GLU A 14 -8.753 14.434 -18.247 1.00 34.15 C ATOM 219 O GLU A 14 -9.611 14.120 -19.072 1.00 41.55 O ATOM 220 CB GLU A 14 -6.303 14.088 -17.875 1.00 54.32 C ATOM 221 CG GLU A 14 -5.721 14.138 -19.278 1.00 22.53 C ATOM 222 CD GLU A 14 -4.505 15.039 -19.373 1.00 30.30 C ATOM 223 OE1 GLU A 14 -4.649 16.256 -19.131 1.00 60.40 O ATOM 224 OE2 GLU A 14 -3.411 14.528 -19.690 1.00 25.05 O ATOM 0 H GLU A 14 -8.520 12.187 -19.272 1.00 63.22 H new ATOM 0 HA GLU A 14 -7.891 13.141 -16.779 1.00 63.54 H new ATOM 0 HB2 GLU A 14 -6.369 15.102 -17.482 1.00 54.32 H new ATOM 0 HB3 GLU A 14 -5.620 13.539 -17.227 1.00 54.32 H new ATOM 0 HG2 GLU A 14 -5.447 13.130 -19.590 1.00 22.53 H new ATOM 0 HG3 GLU A 14 -6.484 14.490 -19.972 1.00 22.53 H new ATOM 231 N VAL A 15 -8.695 15.638 -17.686 1.00 61.04 N ATOM 232 CA VAL A 15 -9.655 16.683 -18.019 1.00 15.33 C ATOM 233 C VAL A 15 -8.961 18.027 -18.210 1.00 72.01 C ATOM 234 O VAL A 15 -7.902 18.276 -17.636 1.00 43.11 O ATOM 235 CB VAL A 15 -10.731 16.825 -16.926 1.00 34.14 C ATOM 236 CG1 VAL A 15 -11.834 17.768 -17.381 1.00 12.43 C ATOM 237 CG2 VAL A 15 -11.301 15.463 -16.560 1.00 31.42 C ATOM 0 H VAL A 15 -7.993 15.913 -16.999 1.00 61.04 H new ATOM 0 HA VAL A 15 -10.132 16.388 -18.953 1.00 15.33 H new ATOM 0 HB VAL A 15 -10.266 17.251 -16.037 1.00 34.14 H new ATOM 0 HG11 VAL A 15 -12.585 17.856 -16.596 1.00 12.43 H new ATOM 0 HG12 VAL A 15 -11.410 18.750 -17.589 1.00 12.43 H new ATOM 0 HG13 VAL A 15 -12.299 17.375 -18.285 1.00 12.43 H new ATOM 0 HG21 VAL A 15 -12.060 15.582 -15.786 1.00 31.42 H new ATOM 0 HG22 VAL A 15 -11.751 15.008 -17.442 1.00 31.42 H new ATOM 0 HG23 VAL A 15 -10.502 14.822 -16.188 1.00 31.42 H new ATOM 247 N GLU A 16 -9.566 18.890 -19.021 1.00 35.54 N ATOM 248 CA GLU A 16 -9.005 20.209 -19.288 1.00 33.43 C ATOM 249 C GLU A 16 -9.071 21.090 -18.044 1.00 15.12 C ATOM 250 O GLU A 16 -8.048 21.399 -17.434 1.00 43.20 O ATOM 251 CB GLU A 16 -9.751 20.880 -20.443 1.00 12.45 C ATOM 252 CG GLU A 16 -8.865 21.201 -21.635 1.00 34.22 C ATOM 253 CD GLU A 16 -8.164 22.538 -21.498 1.00 12.31 C ATOM 254 OE1 GLU A 16 -7.734 22.870 -20.373 1.00 34.31 O ATOM 255 OE2 GLU A 16 -8.045 23.253 -22.515 1.00 13.35 O ATOM 0 H GLU A 16 -10.444 18.699 -19.504 1.00 35.54 H new ATOM 0 HA GLU A 16 -7.959 20.082 -19.566 1.00 33.43 H new ATOM 0 HB2 GLU A 16 -10.561 20.228 -20.769 1.00 12.45 H new ATOM 0 HB3 GLU A 16 -10.208 21.801 -20.082 1.00 12.45 H new ATOM 0 HG2 GLU A 16 -8.119 20.414 -21.751 1.00 34.22 H new ATOM 0 HG3 GLU A 16 -9.470 21.203 -22.542 1.00 34.22 H new ATOM 262 N ARG A 17 -10.283 21.492 -17.674 1.00 73.42 N ATOM 263 CA ARG A 17 -10.484 22.339 -16.505 1.00 22.23 C ATOM 264 C ARG A 17 -11.971 22.531 -16.221 1.00 43.44 C ATOM 265 O ARG A 17 -12.816 22.251 -17.072 1.00 1.11 O ATOM 266 CB ARG A 17 -9.813 23.698 -16.712 1.00 61.11 C ATOM 267 CG ARG A 17 -10.718 24.730 -17.364 1.00 44.54 C ATOM 268 CD ARG A 17 -11.217 24.257 -18.720 1.00 62.54 C ATOM 269 NE ARG A 17 -11.243 25.337 -19.702 1.00 54.32 N ATOM 270 CZ ARG A 17 -10.154 25.837 -20.275 1.00 2.15 C ATOM 271 NH1 ARG A 17 -8.958 25.356 -19.965 1.00 21.42 N ATOM 272 NH2 ARG A 17 -10.259 26.820 -21.159 1.00 53.52 N ATOM 0 H ARG A 17 -11.141 21.244 -18.168 1.00 73.42 H new ATOM 0 HA ARG A 17 -10.029 21.844 -15.647 1.00 22.23 H new ATOM 0 HB2 ARG A 17 -9.477 24.079 -15.747 1.00 61.11 H new ATOM 0 HB3 ARG A 17 -8.924 23.565 -17.329 1.00 61.11 H new ATOM 0 HG2 ARG A 17 -11.568 24.933 -16.713 1.00 44.54 H new ATOM 0 HG3 ARG A 17 -10.176 25.668 -17.482 1.00 44.54 H new ATOM 0 HD2 ARG A 17 -10.575 23.454 -19.082 1.00 62.54 H new ATOM 0 HD3 ARG A 17 -12.219 23.841 -18.612 1.00 62.54 H new ATOM 0 HE ARG A 17 -12.148 25.729 -19.963 1.00 54.32 H new ATOM 0 HH11 ARG A 17 -8.873 24.600 -19.285 1.00 21.42 H new ATOM 0 HH12 ARG A 17 -8.123 25.742 -20.406 1.00 21.42 H new ATOM 0 HH21 ARG A 17 -11.177 27.193 -21.400 1.00 53.52 H new ATOM 0 HH22 ARG A 17 -9.422 27.203 -21.598 1.00 53.52 H new ATOM 286 N ILE A 18 -12.282 23.011 -15.022 1.00 22.42 N ATOM 287 CA ILE A 18 -13.666 23.241 -14.627 1.00 70.23 C ATOM 288 C ILE A 18 -14.263 24.424 -15.382 1.00 31.04 C ATOM 289 O ILE A 18 -13.882 25.573 -15.158 1.00 13.15 O ATOM 290 CB ILE A 18 -13.784 23.499 -13.114 1.00 34.14 C ATOM 291 CG1 ILE A 18 -13.109 22.373 -12.328 1.00 0.12 C ATOM 292 CG2 ILE A 18 -15.246 23.630 -12.711 1.00 42.14 C ATOM 293 CD1 ILE A 18 -13.978 21.147 -12.161 1.00 75.41 C ATOM 0 H ILE A 18 -11.594 23.248 -14.307 1.00 22.42 H new ATOM 0 HA ILE A 18 -14.220 22.336 -14.877 1.00 70.23 H new ATOM 0 HB ILE A 18 -13.277 24.435 -12.880 1.00 34.14 H new ATOM 0 HG12 ILE A 18 -12.187 22.089 -12.836 1.00 0.12 H new ATOM 0 HG13 ILE A 18 -12.828 22.746 -11.343 1.00 0.12 H new ATOM 0 HG21 ILE A 18 -15.313 23.812 -11.638 1.00 42.14 H new ATOM 0 HG22 ILE A 18 -15.699 24.463 -13.249 1.00 42.14 H new ATOM 0 HG23 ILE A 18 -15.775 22.709 -12.956 1.00 42.14 H new ATOM 0 HD11 ILE A 18 -13.435 20.391 -11.595 1.00 75.41 H new ATOM 0 HD12 ILE A 18 -14.889 21.417 -11.626 1.00 75.41 H new ATOM 0 HD13 ILE A 18 -14.238 20.749 -13.142 1.00 75.41 H new ATOM 305 N VAL A 19 -15.203 24.135 -16.276 1.00 50.11 N ATOM 306 CA VAL A 19 -15.856 25.175 -17.062 1.00 41.20 C ATOM 307 C VAL A 19 -16.578 26.172 -16.162 1.00 41.15 C ATOM 308 O VAL A 19 -16.327 27.376 -16.225 1.00 65.42 O ATOM 309 CB VAL A 19 -16.865 24.575 -18.059 1.00 13.22 C ATOM 310 CG1 VAL A 19 -17.359 25.641 -19.025 1.00 73.23 C ATOM 311 CG2 VAL A 19 -16.242 23.409 -18.811 1.00 3.20 C ATOM 0 H VAL A 19 -15.529 23.189 -16.474 1.00 50.11 H new ATOM 0 HA VAL A 19 -15.073 25.692 -17.617 1.00 41.20 H new ATOM 0 HB VAL A 19 -17.722 24.200 -17.500 1.00 13.22 H new ATOM 0 HG11 VAL A 19 -18.071 25.199 -19.722 1.00 73.23 H new ATOM 0 HG12 VAL A 19 -17.846 26.440 -18.467 1.00 73.23 H new ATOM 0 HG13 VAL A 19 -16.514 26.049 -19.580 1.00 73.23 H new ATOM 0 HG21 VAL A 19 -16.969 22.997 -19.511 1.00 3.20 H new ATOM 0 HG22 VAL A 19 -15.366 23.756 -19.360 1.00 3.20 H new ATOM 0 HG23 VAL A 19 -15.943 22.637 -18.102 1.00 3.20 H new ATOM 321 N ARG A 20 -17.476 25.663 -15.325 1.00 61.15 N ATOM 322 CA ARG A 20 -18.236 26.509 -14.413 1.00 24.22 C ATOM 323 C ARG A 20 -18.824 25.685 -13.271 1.00 0.31 C ATOM 324 O ARG A 20 -18.509 24.505 -13.115 1.00 54.25 O ATOM 325 CB ARG A 20 -19.355 27.231 -15.165 1.00 72.50 C ATOM 326 CG ARG A 20 -20.388 26.292 -15.768 1.00 24.24 C ATOM 327 CD ARG A 20 -20.168 26.107 -17.261 1.00 22.31 C ATOM 328 NE ARG A 20 -21.244 26.699 -18.050 1.00 75.12 N ATOM 329 CZ ARG A 20 -21.580 26.281 -19.266 1.00 10.33 C ATOM 330 NH1 ARG A 20 -20.926 25.274 -19.828 1.00 54.12 N ATOM 331 NH2 ARG A 20 -22.572 26.871 -19.921 1.00 43.10 N ATOM 0 H ARG A 20 -17.695 24.669 -15.260 1.00 61.15 H new ATOM 0 HA ARG A 20 -17.556 27.249 -13.992 1.00 24.22 H new ATOM 0 HB2 ARG A 20 -19.855 27.918 -14.483 1.00 72.50 H new ATOM 0 HB3 ARG A 20 -18.917 27.834 -15.960 1.00 72.50 H new ATOM 0 HG2 ARG A 20 -20.337 25.324 -15.269 1.00 24.24 H new ATOM 0 HG3 ARG A 20 -21.388 26.689 -15.593 1.00 24.24 H new ATOM 0 HD2 ARG A 20 -19.218 26.559 -17.546 1.00 22.31 H new ATOM 0 HD3 ARG A 20 -20.095 25.043 -17.488 1.00 22.31 H new ATOM 0 HE ARG A 20 -21.767 27.476 -17.646 1.00 75.12 H new ATOM 0 HH11 ARG A 20 -20.163 24.818 -19.327 1.00 54.12 H new ATOM 0 HH12 ARG A 20 -21.186 24.955 -20.761 1.00 54.12 H new ATOM 0 HH21 ARG A 20 -23.077 27.646 -19.491 1.00 43.10 H new ATOM 0 HH22 ARG A 20 -22.829 26.550 -20.854 1.00 43.10 H new ATOM 345 N LYS A 21 -19.680 26.316 -12.473 1.00 64.25 N ATOM 346 CA LYS A 21 -20.313 25.643 -11.346 1.00 34.01 C ATOM 347 C LYS A 21 -21.632 26.318 -10.981 1.00 21.32 C ATOM 348 O LYS A 21 -21.849 27.489 -11.293 1.00 34.41 O ATOM 349 CB LYS A 21 -19.377 25.640 -10.135 1.00 53.42 C ATOM 350 CG LYS A 21 -19.197 27.010 -9.503 1.00 22.40 C ATOM 351 CD LYS A 21 -18.596 26.906 -8.111 1.00 42.32 C ATOM 352 CE LYS A 21 -19.261 27.873 -7.144 1.00 11.03 C ATOM 353 NZ LYS A 21 -18.495 28.002 -5.874 1.00 5.05 N ATOM 0 H LYS A 21 -19.951 27.293 -12.587 1.00 64.25 H new ATOM 0 HA LYS A 21 -20.520 24.614 -11.639 1.00 34.01 H new ATOM 0 HB2 LYS A 21 -19.768 24.952 -9.386 1.00 53.42 H new ATOM 0 HB3 LYS A 21 -18.402 25.259 -10.440 1.00 53.42 H new ATOM 0 HG2 LYS A 21 -18.552 27.621 -10.134 1.00 22.40 H new ATOM 0 HG3 LYS A 21 -20.161 27.516 -9.448 1.00 22.40 H new ATOM 0 HD2 LYS A 21 -18.706 25.887 -7.741 1.00 42.32 H new ATOM 0 HD3 LYS A 21 -17.527 27.114 -8.158 1.00 42.32 H new ATOM 0 HE2 LYS A 21 -19.352 28.852 -7.614 1.00 11.03 H new ATOM 0 HE3 LYS A 21 -20.272 27.530 -6.925 1.00 11.03 H new ATOM 0 HZ1 LYS A 21 -18.813 28.849 -5.361 1.00 5.05 H new ATOM 0 HZ2 LYS A 21 -18.655 27.160 -5.285 1.00 5.05 H new ATOM 0 HZ3 LYS A 21 -17.481 28.087 -6.087 1.00 5.05 H new ATOM 367 N LYS A 22 -22.509 25.572 -10.317 1.00 3.22 N ATOM 368 CA LYS A 22 -23.805 26.098 -9.906 1.00 51.32 C ATOM 369 C LYS A 22 -24.518 25.123 -8.975 1.00 61.21 C ATOM 370 O LYS A 22 -24.405 23.907 -9.131 1.00 62.40 O ATOM 371 CB LYS A 22 -24.677 26.379 -11.133 1.00 25.44 C ATOM 372 CG LYS A 22 -25.232 25.124 -11.784 1.00 23.22 C ATOM 373 CD LYS A 22 -26.727 24.989 -11.551 1.00 12.53 C ATOM 374 CE LYS A 22 -27.515 25.232 -12.829 1.00 64.54 C ATOM 375 NZ LYS A 22 -28.962 25.450 -12.556 1.00 72.45 N ATOM 0 H LYS A 22 -22.345 24.601 -10.052 1.00 3.22 H new ATOM 0 HA LYS A 22 -23.636 27.030 -9.367 1.00 51.32 H new ATOM 0 HB2 LYS A 22 -25.506 27.023 -10.840 1.00 25.44 H new ATOM 0 HB3 LYS A 22 -24.090 26.930 -11.867 1.00 25.44 H new ATOM 0 HG2 LYS A 22 -25.031 25.149 -12.855 1.00 23.22 H new ATOM 0 HG3 LYS A 22 -24.720 24.249 -11.384 1.00 23.22 H new ATOM 0 HD2 LYS A 22 -26.948 23.992 -11.170 1.00 12.53 H new ATOM 0 HD3 LYS A 22 -27.043 25.699 -10.787 1.00 12.53 H new ATOM 0 HE2 LYS A 22 -27.108 26.101 -13.347 1.00 64.54 H new ATOM 0 HE3 LYS A 22 -27.396 24.379 -13.497 1.00 64.54 H new ATOM 0 HZ1 LYS A 22 -29.464 25.612 -13.452 1.00 72.45 H new ATOM 0 HZ2 LYS A 22 -29.357 24.611 -12.085 1.00 72.45 H new ATOM 0 HZ3 LYS A 22 -29.078 26.280 -11.940 1.00 72.45 H new ATOM 389 N ILE A 23 -25.252 25.664 -8.009 1.00 34.30 N ATOM 390 CA ILE A 23 -25.985 24.840 -7.055 1.00 54.33 C ATOM 391 C ILE A 23 -27.487 24.904 -7.314 1.00 1.43 C ATOM 392 O ILE A 23 -28.002 25.911 -7.801 1.00 5.12 O ATOM 393 CB ILE A 23 -25.706 25.276 -5.605 1.00 34.34 C ATOM 394 CG1 ILE A 23 -26.586 26.470 -5.229 1.00 73.13 C ATOM 395 CG2 ILE A 23 -24.235 25.619 -5.428 1.00 62.13 C ATOM 396 CD1 ILE A 23 -27.874 26.078 -4.539 1.00 52.33 C ATOM 0 H ILE A 23 -25.355 26.669 -7.866 1.00 34.30 H new ATOM 0 HA ILE A 23 -25.639 23.815 -7.191 1.00 54.33 H new ATOM 0 HB ILE A 23 -25.948 24.447 -4.940 1.00 34.34 H new ATOM 0 HG12 ILE A 23 -26.022 27.136 -4.576 1.00 73.13 H new ATOM 0 HG13 ILE A 23 -26.824 27.034 -6.131 1.00 73.13 H new ATOM 0 HG21 ILE A 23 -24.054 25.925 -4.398 1.00 62.13 H new ATOM 0 HG22 ILE A 23 -23.627 24.744 -5.658 1.00 62.13 H new ATOM 0 HG23 ILE A 23 -23.968 26.434 -6.101 1.00 62.13 H new ATOM 0 HD11 ILE A 23 -28.447 26.974 -4.302 1.00 52.33 H new ATOM 0 HD12 ILE A 23 -28.459 25.437 -5.198 1.00 52.33 H new ATOM 0 HD13 ILE A 23 -27.645 25.540 -3.619 1.00 52.33 H new ATOM 408 N VAL A 24 -28.186 23.823 -6.982 1.00 44.23 N ATOM 409 CA VAL A 24 -29.629 23.757 -7.176 1.00 12.05 C ATOM 410 C VAL A 24 -30.318 23.135 -5.966 1.00 4.44 C ATOM 411 O VAL A 24 -30.000 22.015 -5.565 1.00 11.24 O ATOM 412 CB VAL A 24 -29.991 22.943 -8.432 1.00 44.33 C ATOM 413 CG1 VAL A 24 -31.209 23.538 -9.121 1.00 74.24 C ATOM 414 CG2 VAL A 24 -28.806 22.881 -9.385 1.00 54.52 C ATOM 0 H VAL A 24 -27.776 22.981 -6.577 1.00 44.23 H new ATOM 0 HA VAL A 24 -29.978 24.782 -7.304 1.00 12.05 H new ATOM 0 HB VAL A 24 -30.237 21.926 -8.127 1.00 44.33 H new ATOM 0 HG11 VAL A 24 -31.450 22.950 -10.006 1.00 74.24 H new ATOM 0 HG12 VAL A 24 -32.057 23.526 -8.436 1.00 74.24 H new ATOM 0 HG13 VAL A 24 -30.995 24.565 -9.415 1.00 74.24 H new ATOM 0 HG21 VAL A 24 -29.079 22.302 -10.267 1.00 54.52 H new ATOM 0 HG22 VAL A 24 -28.527 23.891 -9.685 1.00 54.52 H new ATOM 0 HG23 VAL A 24 -27.962 22.405 -8.886 1.00 54.52 H new ATOM 424 N HIS A 25 -31.263 23.870 -5.387 1.00 61.44 N ATOM 425 CA HIS A 25 -31.998 23.390 -4.223 1.00 32.23 C ATOM 426 C HIS A 25 -31.042 23.002 -3.098 1.00 53.25 C ATOM 427 O HIS A 25 -31.370 22.175 -2.249 1.00 14.44 O ATOM 428 CB HIS A 25 -32.871 22.193 -4.602 1.00 24.44 C ATOM 429 CG HIS A 25 -34.216 22.200 -3.944 1.00 31.12 C ATOM 430 ND1 HIS A 25 -34.386 22.307 -2.580 1.00 14.33 N ATOM 431 CD2 HIS A 25 -35.460 22.114 -4.471 1.00 42.11 C ATOM 432 CE1 HIS A 25 -35.676 22.285 -2.296 1.00 55.42 C ATOM 433 NE2 HIS A 25 -36.350 22.169 -3.427 1.00 4.43 N ATOM 0 H HIS A 25 -31.537 24.800 -5.705 1.00 61.44 H new ATOM 0 HA HIS A 25 -32.638 24.199 -3.870 1.00 32.23 H new ATOM 0 HB2 HIS A 25 -33.005 22.180 -5.684 1.00 24.44 H new ATOM 0 HB3 HIS A 25 -32.349 21.274 -4.334 1.00 24.44 H new ATOM 0 HD1 HIS A 25 -33.633 22.390 -1.897 1.00 14.33 H new ATOM 0 HD2 HIS A 25 -35.707 22.020 -5.518 1.00 42.11 H new ATOM 0 HE1 HIS A 25 -36.107 22.351 -1.308 1.00 55.42 H new ATOM 441 N GLY A 26 -29.857 23.605 -3.101 1.00 52.24 N ATOM 442 CA GLY A 26 -28.872 23.309 -2.078 1.00 2.21 C ATOM 443 C GLY A 26 -27.899 22.228 -2.505 1.00 41.20 C ATOM 444 O GLY A 26 -27.155 21.694 -1.684 1.00 32.52 O ATOM 0 H GLY A 26 -29.562 24.293 -3.794 1.00 52.24 H new ATOM 0 HA2 GLY A 26 -28.319 24.217 -1.837 1.00 2.21 H new ATOM 0 HA3 GLY A 26 -29.382 22.995 -1.167 1.00 2.21 H new ATOM 448 N ASN A 27 -27.905 21.904 -3.794 1.00 50.51 N ATOM 449 CA ASN A 27 -27.018 20.878 -4.329 1.00 25.04 C ATOM 450 C ASN A 27 -26.010 21.483 -5.301 1.00 62.12 C ATOM 451 O ASN A 27 -26.353 21.832 -6.431 1.00 44.52 O ATOM 452 CB ASN A 27 -27.829 19.787 -5.030 1.00 54.55 C ATOM 453 CG ASN A 27 -28.865 19.160 -4.118 1.00 21.44 C ATOM 454 OD1 ASN A 27 -28.614 18.943 -2.932 1.00 64.31 O ATOM 455 ND2 ASN A 27 -30.037 18.864 -4.668 1.00 0.33 N ATOM 0 H ASN A 27 -28.515 22.337 -4.487 1.00 50.51 H new ATOM 0 HA ASN A 27 -26.472 20.435 -3.496 1.00 25.04 H new ATOM 0 HB2 ASN A 27 -28.326 20.212 -5.902 1.00 54.55 H new ATOM 0 HB3 ASN A 27 -27.153 19.013 -5.394 1.00 54.55 H new ATOM 0 HD21 ASN A 27 -30.773 18.439 -4.103 1.00 0.33 H new ATOM 0 HD22 ASN A 27 -30.201 19.061 -5.655 1.00 0.33 H new ATOM 462 N THR A 28 -24.763 21.603 -4.855 1.00 13.22 N ATOM 463 CA THR A 28 -23.705 22.166 -5.684 1.00 73.13 C ATOM 464 C THR A 28 -23.383 21.251 -6.860 1.00 73.03 C ATOM 465 O THR A 28 -23.436 20.027 -6.740 1.00 12.15 O ATOM 466 CB THR A 28 -22.421 22.407 -4.869 1.00 64.13 C ATOM 467 OG1 THR A 28 -22.754 22.826 -3.541 1.00 53.34 O ATOM 468 CG2 THR A 28 -21.547 23.460 -5.535 1.00 32.14 C ATOM 0 H THR A 28 -24.461 21.317 -3.923 1.00 13.22 H new ATOM 0 HA THR A 28 -24.072 23.121 -6.060 1.00 73.13 H new ATOM 0 HB THR A 28 -21.865 21.471 -4.824 1.00 64.13 H new ATOM 0 HG1 THR A 28 -21.932 22.975 -3.029 1.00 53.34 H new ATOM 0 HG21 THR A 28 -20.646 23.613 -4.941 1.00 32.14 H new ATOM 0 HG22 THR A 28 -21.270 23.124 -6.534 1.00 32.14 H new ATOM 0 HG23 THR A 28 -22.098 24.398 -5.607 1.00 32.14 H new ATOM 476 N SER A 29 -23.049 21.852 -7.998 1.00 1.24 N ATOM 477 CA SER A 29 -22.721 21.091 -9.197 1.00 71.41 C ATOM 478 C SER A 29 -21.581 21.752 -9.966 1.00 13.01 C ATOM 479 O SER A 29 -21.637 22.941 -10.280 1.00 54.23 O ATOM 480 CB SER A 29 -23.951 20.962 -10.097 1.00 54.03 C ATOM 481 OG SER A 29 -25.002 20.282 -9.432 1.00 4.23 O ATOM 0 H SER A 29 -22.999 22.864 -8.114 1.00 1.24 H new ATOM 0 HA SER A 29 -22.399 20.096 -8.889 1.00 71.41 H new ATOM 0 HB2 SER A 29 -24.289 21.953 -10.400 1.00 54.03 H new ATOM 0 HB3 SER A 29 -23.685 20.424 -11.007 1.00 54.03 H new ATOM 0 HG SER A 29 -25.777 20.214 -10.028 1.00 4.23 H new ATOM 487 N TYR A 30 -20.548 20.973 -10.265 1.00 60.13 N ATOM 488 CA TYR A 30 -19.393 21.482 -10.995 1.00 41.21 C ATOM 489 C TYR A 30 -19.406 20.998 -12.442 1.00 3.02 C ATOM 490 O TYR A 30 -19.371 19.796 -12.707 1.00 70.31 O ATOM 491 CB TYR A 30 -18.097 21.044 -10.310 1.00 51.14 C ATOM 492 CG TYR A 30 -17.697 21.927 -9.150 1.00 33.23 C ATOM 493 CD1 TYR A 30 -18.600 22.230 -8.139 1.00 15.43 C ATOM 494 CD2 TYR A 30 -16.415 22.456 -9.064 1.00 14.32 C ATOM 495 CE1 TYR A 30 -18.240 23.037 -7.077 1.00 25.01 C ATOM 496 CE2 TYR A 30 -16.045 23.263 -8.005 1.00 32.42 C ATOM 497 CZ TYR A 30 -16.961 23.550 -7.014 1.00 41.53 C ATOM 498 OH TYR A 30 -16.597 24.353 -5.958 1.00 0.25 O ATOM 0 H TYR A 30 -20.487 19.986 -10.013 1.00 60.13 H new ATOM 0 HA TYR A 30 -19.446 22.571 -10.995 1.00 41.21 H new ATOM 0 HB2 TYR A 30 -18.212 20.020 -9.954 1.00 51.14 H new ATOM 0 HB3 TYR A 30 -17.292 21.037 -11.045 1.00 51.14 H new ATOM 0 HD1 TYR A 30 -19.601 21.828 -8.184 1.00 15.43 H new ATOM 0 HD2 TYR A 30 -15.696 22.233 -9.838 1.00 14.32 H new ATOM 0 HE1 TYR A 30 -18.956 23.265 -6.301 1.00 25.01 H new ATOM 0 HE2 TYR A 30 -15.045 23.667 -7.953 1.00 32.42 H new ATOM 0 HH TYR A 30 -15.626 24.308 -5.832 1.00 0.25 H new ATOM 508 N LEU A 31 -19.455 21.943 -13.374 1.00 72.23 N ATOM 509 CA LEU A 31 -19.472 21.615 -14.796 1.00 22.23 C ATOM 510 C LEU A 31 -18.061 21.629 -15.374 1.00 44.34 C ATOM 511 O LEU A 31 -17.421 22.678 -15.452 1.00 4.24 O ATOM 512 CB LEU A 31 -20.358 22.603 -15.557 1.00 24.32 C ATOM 513 CG LEU A 31 -20.683 22.235 -17.005 1.00 23.31 C ATOM 514 CD1 LEU A 31 -21.041 20.761 -17.114 1.00 22.34 C ATOM 515 CD2 LEU A 31 -21.816 23.101 -17.534 1.00 13.22 C ATOM 0 H LEU A 31 -19.484 22.942 -13.171 1.00 72.23 H new ATOM 0 HA LEU A 31 -19.880 20.611 -14.908 1.00 22.23 H new ATOM 0 HB2 LEU A 31 -21.296 22.714 -15.012 1.00 24.32 H new ATOM 0 HB3 LEU A 31 -19.869 23.577 -15.552 1.00 24.32 H new ATOM 0 HG LEU A 31 -19.797 22.419 -17.613 1.00 23.31 H new ATOM 0 HD11 LEU A 31 -21.269 20.518 -18.152 1.00 22.34 H new ATOM 0 HD12 LEU A 31 -20.199 20.156 -16.776 1.00 22.34 H new ATOM 0 HD13 LEU A 31 -21.911 20.551 -16.492 1.00 22.34 H new ATOM 0 HD21 LEU A 31 -22.034 22.825 -18.566 1.00 13.22 H new ATOM 0 HD22 LEU A 31 -22.706 22.950 -16.923 1.00 13.22 H new ATOM 0 HD23 LEU A 31 -21.522 24.150 -17.493 1.00 13.22 H new ATOM 527 N VAL A 32 -17.582 20.458 -15.782 1.00 44.31 N ATOM 528 CA VAL A 32 -16.247 20.336 -16.357 1.00 54.43 C ATOM 529 C VAL A 32 -16.305 19.736 -17.757 1.00 73.42 C ATOM 530 O VAL A 32 -17.066 18.802 -18.013 1.00 65.44 O ATOM 531 CB VAL A 32 -15.333 19.466 -15.475 1.00 1.55 C ATOM 532 CG1 VAL A 32 -15.782 18.014 -15.509 1.00 62.44 C ATOM 533 CG2 VAL A 32 -13.884 19.596 -15.919 1.00 1.20 C ATOM 0 H VAL A 32 -18.098 19.580 -15.725 1.00 44.31 H new ATOM 0 HA VAL A 32 -15.833 21.343 -16.413 1.00 54.43 H new ATOM 0 HB VAL A 32 -15.407 19.819 -14.446 1.00 1.55 H new ATOM 0 HG11 VAL A 32 -15.124 17.415 -14.880 1.00 62.44 H new ATOM 0 HG12 VAL A 32 -16.804 17.941 -15.138 1.00 62.44 H new ATOM 0 HG13 VAL A 32 -15.740 17.644 -16.533 1.00 62.44 H new ATOM 0 HG21 VAL A 32 -13.252 18.974 -15.285 1.00 1.20 H new ATOM 0 HG22 VAL A 32 -13.790 19.270 -16.955 1.00 1.20 H new ATOM 0 HG23 VAL A 32 -13.570 20.636 -15.836 1.00 1.20 H new ATOM 543 N LYS A 33 -15.496 20.277 -18.661 1.00 52.24 N ATOM 544 CA LYS A 33 -15.453 19.794 -20.037 1.00 4.55 C ATOM 545 C LYS A 33 -14.551 18.570 -20.155 1.00 33.41 C ATOM 546 O LYS A 33 -14.084 18.032 -19.151 1.00 4.52 O ATOM 547 CB LYS A 33 -14.955 20.899 -20.971 1.00 43.41 C ATOM 548 CG LYS A 33 -13.632 21.510 -20.541 1.00 30.32 C ATOM 549 CD LYS A 33 -13.160 22.568 -21.524 1.00 70.30 C ATOM 550 CE LYS A 33 -13.580 23.962 -21.086 1.00 55.45 C ATOM 551 NZ LYS A 33 -14.910 24.341 -21.641 1.00 64.34 N ATOM 0 H LYS A 33 -14.861 21.051 -18.466 1.00 52.24 H new ATOM 0 HA LYS A 33 -16.464 19.509 -20.328 1.00 4.55 H new ATOM 0 HB2 LYS A 33 -14.848 20.492 -21.976 1.00 43.41 H new ATOM 0 HB3 LYS A 33 -15.708 21.685 -21.024 1.00 43.41 H new ATOM 0 HG2 LYS A 33 -13.740 21.954 -19.551 1.00 30.32 H new ATOM 0 HG3 LYS A 33 -12.878 20.727 -20.458 1.00 30.32 H new ATOM 0 HD2 LYS A 33 -12.074 22.525 -21.613 1.00 70.30 H new ATOM 0 HD3 LYS A 33 -13.570 22.357 -22.512 1.00 70.30 H new ATOM 0 HE2 LYS A 33 -13.615 24.005 -19.997 1.00 55.45 H new ATOM 0 HE3 LYS A 33 -12.832 24.685 -21.410 1.00 55.45 H new ATOM 0 HZ1 LYS A 33 -15.222 25.236 -21.214 1.00 64.34 H new ATOM 0 HZ2 LYS A 33 -14.836 24.456 -22.672 1.00 64.34 H new ATOM 0 HZ3 LYS A 33 -15.602 23.595 -21.425 1.00 64.34 H new ATOM 565 N TRP A 34 -14.311 18.135 -21.386 1.00 72.44 N ATOM 566 CA TRP A 34 -13.464 16.973 -21.635 1.00 51.50 C ATOM 567 C TRP A 34 -12.297 17.336 -22.546 1.00 42.42 C ATOM 568 O TRP A 34 -12.366 17.156 -23.762 1.00 64.02 O ATOM 569 CB TRP A 34 -14.283 15.843 -22.261 1.00 14.44 C ATOM 570 CG TRP A 34 -15.406 15.370 -21.388 1.00 13.41 C ATOM 571 CD1 TRP A 34 -15.470 15.439 -20.025 1.00 71.35 C ATOM 572 CD2 TRP A 34 -16.625 14.755 -21.818 1.00 72.33 C ATOM 573 NE1 TRP A 34 -16.655 14.903 -19.583 1.00 33.41 N ATOM 574 CE2 TRP A 34 -17.382 14.477 -20.663 1.00 60.22 C ATOM 575 CE3 TRP A 34 -17.152 14.413 -23.067 1.00 1.23 C ATOM 576 CZ2 TRP A 34 -18.635 13.873 -20.722 1.00 70.21 C ATOM 577 CZ3 TRP A 34 -18.396 13.814 -23.124 1.00 24.55 C ATOM 578 CH2 TRP A 34 -19.126 13.549 -21.958 1.00 33.14 C ATOM 0 H TRP A 34 -14.690 18.569 -22.228 1.00 72.44 H new ATOM 0 HA TRP A 34 -13.064 16.635 -20.679 1.00 51.50 H new ATOM 0 HB2 TRP A 34 -14.691 16.184 -23.213 1.00 14.44 H new ATOM 0 HB3 TRP A 34 -13.623 15.003 -22.479 1.00 14.44 H new ATOM 0 HD1 TRP A 34 -14.702 15.854 -19.389 1.00 71.35 H new ATOM 0 HE1 TRP A 34 -16.947 14.833 -18.608 1.00 33.41 H new ATOM 0 HE3 TRP A 34 -16.597 14.613 -23.971 1.00 1.23 H new ATOM 0 HZ2 TRP A 34 -19.200 13.667 -19.825 1.00 70.21 H new ATOM 0 HZ3 TRP A 34 -18.813 13.546 -24.084 1.00 24.55 H new ATOM 0 HH2 TRP A 34 -20.096 13.080 -22.036 1.00 33.14 H new ATOM 589 N LYS A 35 -11.225 17.849 -21.951 1.00 63.45 N ATOM 590 CA LYS A 35 -10.041 18.236 -22.709 1.00 64.21 C ATOM 591 C LYS A 35 -10.401 19.220 -23.817 1.00 54.21 C ATOM 592 O LYS A 35 -9.803 19.206 -24.892 1.00 32.41 O ATOM 593 CB LYS A 35 -9.367 17.000 -23.310 1.00 35.32 C ATOM 594 CG LYS A 35 -7.870 16.942 -23.063 1.00 42.42 C ATOM 595 CD LYS A 35 -7.119 16.475 -24.299 1.00 3.13 C ATOM 596 CE LYS A 35 -5.713 16.008 -23.953 1.00 33.41 C ATOM 597 NZ LYS A 35 -5.636 14.526 -23.829 1.00 35.40 N ATOM 0 H LYS A 35 -11.152 18.006 -20.946 1.00 63.45 H new ATOM 0 HA LYS A 35 -9.347 18.724 -22.025 1.00 64.21 H new ATOM 0 HB2 LYS A 35 -9.830 16.106 -22.894 1.00 35.32 H new ATOM 0 HB3 LYS A 35 -9.550 16.983 -24.384 1.00 35.32 H new ATOM 0 HG2 LYS A 35 -7.510 17.928 -22.768 1.00 42.42 H new ATOM 0 HG3 LYS A 35 -7.663 16.266 -22.233 1.00 42.42 H new ATOM 0 HD2 LYS A 35 -7.667 15.661 -24.774 1.00 3.13 H new ATOM 0 HD3 LYS A 35 -7.066 17.288 -25.023 1.00 3.13 H new ATOM 0 HE2 LYS A 35 -5.019 16.345 -24.723 1.00 33.41 H new ATOM 0 HE3 LYS A 35 -5.398 16.468 -23.016 1.00 33.41 H new ATOM 0 HZ1 LYS A 35 -4.662 14.248 -23.593 1.00 35.40 H new ATOM 0 HZ2 LYS A 35 -6.280 14.207 -23.077 1.00 35.40 H new ATOM 0 HZ3 LYS A 35 -5.912 14.087 -24.731 1.00 35.40 H new ATOM 611 N ASN A 36 -11.382 20.075 -23.547 1.00 14.14 N ATOM 612 CA ASN A 36 -11.822 21.067 -24.521 1.00 1.31 C ATOM 613 C ASN A 36 -12.453 20.394 -25.736 1.00 43.21 C ATOM 614 O ASN A 36 -12.655 21.026 -26.773 1.00 62.25 O ATOM 615 CB ASN A 36 -10.643 21.938 -24.961 1.00 21.33 C ATOM 616 CG ASN A 36 -10.801 23.384 -24.533 1.00 23.03 C ATOM 617 OD1 ASN A 36 -10.668 23.635 -23.235 1.00 31.10 O flip ATOM 618 ND2 ASN A 36 -11.039 24.265 -25.359 1.00 62.25 N flip ATOM 0 H ASN A 36 -11.887 20.101 -22.661 1.00 14.14 H new ATOM 0 HA ASN A 36 -12.574 21.698 -24.046 1.00 1.31 H new ATOM 0 HB2 ASN A 36 -9.721 21.536 -24.540 1.00 21.33 H new ATOM 0 HB3 ASN A 36 -10.545 21.892 -26.046 1.00 21.33 H new ATOM 0 HD21 ASN A 36 -11.133 24.026 -26.346 1.00 62.25 H new ATOM 0 HD22 ASN A 36 -11.142 25.234 -25.056 1.00 62.25 H new ATOM 625 N TYR A 37 -12.762 19.110 -25.600 1.00 23.42 N ATOM 626 CA TYR A 37 -13.368 18.350 -26.687 1.00 21.24 C ATOM 627 C TYR A 37 -14.829 18.745 -26.878 1.00 71.54 C ATOM 628 O TYR A 37 -15.273 18.999 -27.998 1.00 33.31 O ATOM 629 CB TYR A 37 -13.266 16.849 -26.407 1.00 1.41 C ATOM 630 CG TYR A 37 -13.930 15.991 -27.459 1.00 72.32 C ATOM 631 CD1 TYR A 37 -15.300 15.760 -27.433 1.00 21.43 C ATOM 632 CD2 TYR A 37 -13.188 15.411 -28.481 1.00 2.20 C ATOM 633 CE1 TYR A 37 -15.911 14.975 -28.392 1.00 3.13 C ATOM 634 CE2 TYR A 37 -13.790 14.626 -29.445 1.00 54.41 C ATOM 635 CZ TYR A 37 -15.152 14.411 -29.396 1.00 21.01 C ATOM 636 OH TYR A 37 -15.757 13.630 -30.354 1.00 2.01 O ATOM 0 H TYR A 37 -12.603 18.573 -24.748 1.00 23.42 H new ATOM 0 HA TYR A 37 -12.825 18.579 -27.604 1.00 21.24 H new ATOM 0 HB2 TYR A 37 -12.214 16.572 -26.335 1.00 1.41 H new ATOM 0 HB3 TYR A 37 -13.719 16.637 -25.438 1.00 1.41 H new ATOM 0 HD1 TYR A 37 -15.898 16.202 -26.649 1.00 21.43 H new ATOM 0 HD2 TYR A 37 -12.122 15.577 -28.522 1.00 2.20 H new ATOM 0 HE1 TYR A 37 -16.977 14.804 -28.356 1.00 3.13 H new ATOM 0 HE2 TYR A 37 -13.198 14.183 -30.232 1.00 54.41 H new ATOM 0 HH TYR A 37 -15.083 13.310 -30.989 1.00 2.01 H new ATOM 646 N SER A 38 -15.571 18.794 -25.777 1.00 14.11 N ATOM 647 CA SER A 38 -16.984 19.155 -25.822 1.00 64.34 C ATOM 648 C SER A 38 -17.161 20.667 -25.730 1.00 53.24 C ATOM 649 O SER A 38 -17.752 21.289 -26.614 1.00 22.24 O ATOM 650 CB SER A 38 -17.743 18.470 -24.684 1.00 53.43 C ATOM 651 OG SER A 38 -16.925 18.333 -23.535 1.00 73.24 O ATOM 0 H SER A 38 -15.218 18.588 -24.842 1.00 14.11 H new ATOM 0 HA SER A 38 -17.391 18.817 -26.775 1.00 64.34 H new ATOM 0 HB2 SER A 38 -18.632 19.050 -24.435 1.00 53.43 H new ATOM 0 HB3 SER A 38 -18.085 17.488 -25.010 1.00 53.43 H new ATOM 0 HG SER A 38 -16.355 17.542 -23.632 1.00 73.24 H new ATOM 657 N SER A 39 -16.646 21.253 -24.654 1.00 64.13 N ATOM 658 CA SER A 39 -16.750 22.692 -24.443 1.00 40.04 C ATOM 659 C SER A 39 -18.159 23.075 -24.001 1.00 3.52 C ATOM 660 O SER A 39 -18.340 23.782 -23.009 1.00 53.10 O ATOM 661 CB SER A 39 -16.383 23.444 -25.724 1.00 0.40 C ATOM 662 OG SER A 39 -15.498 24.517 -25.450 1.00 32.24 O ATOM 0 H SER A 39 -16.152 20.753 -23.915 1.00 64.13 H new ATOM 0 HA SER A 39 -16.052 22.971 -23.654 1.00 40.04 H new ATOM 0 HB2 SER A 39 -15.919 22.757 -26.432 1.00 0.40 H new ATOM 0 HB3 SER A 39 -17.288 23.826 -26.197 1.00 0.40 H new ATOM 0 HG SER A 39 -15.277 24.980 -26.285 1.00 32.24 H new ATOM 668 N LYS A 40 -19.154 22.604 -24.744 1.00 13.21 N ATOM 669 CA LYS A 40 -20.548 22.895 -24.430 1.00 32.12 C ATOM 670 C LYS A 40 -21.265 21.646 -23.927 1.00 25.24 C ATOM 671 O LYS A 40 -22.294 21.736 -23.257 1.00 5.32 O ATOM 672 CB LYS A 40 -21.266 23.445 -25.664 1.00 54.30 C ATOM 673 CG LYS A 40 -22.780 23.441 -25.539 1.00 51.02 C ATOM 674 CD LYS A 40 -23.372 22.114 -25.983 1.00 55.01 C ATOM 675 CE LYS A 40 -24.131 22.253 -27.294 1.00 14.01 C ATOM 676 NZ LYS A 40 -23.211 22.332 -28.462 1.00 30.30 N ATOM 0 H LYS A 40 -19.021 22.019 -25.569 1.00 13.21 H new ATOM 0 HA LYS A 40 -20.567 23.646 -23.641 1.00 32.12 H new ATOM 0 HB2 LYS A 40 -20.928 24.465 -25.846 1.00 54.30 H new ATOM 0 HB3 LYS A 40 -20.980 22.854 -26.534 1.00 54.30 H new ATOM 0 HG2 LYS A 40 -23.061 23.638 -24.504 1.00 51.02 H new ATOM 0 HG3 LYS A 40 -23.198 24.247 -26.142 1.00 51.02 H new ATOM 0 HD2 LYS A 40 -22.575 21.379 -26.099 1.00 55.01 H new ATOM 0 HD3 LYS A 40 -24.043 21.737 -25.211 1.00 55.01 H new ATOM 0 HE2 LYS A 40 -24.802 21.403 -27.417 1.00 14.01 H new ATOM 0 HE3 LYS A 40 -24.753 23.148 -27.260 1.00 14.01 H new ATOM 0 HZ1 LYS A 40 -23.767 22.426 -29.336 1.00 30.30 H new ATOM 0 HZ2 LYS A 40 -22.588 23.158 -28.358 1.00 30.30 H new ATOM 0 HZ3 LYS A 40 -22.635 21.467 -28.509 1.00 30.30 H new ATOM 690 N ASP A 41 -20.713 20.482 -24.252 1.00 74.23 N ATOM 691 CA ASP A 41 -21.299 19.214 -23.831 1.00 4.31 C ATOM 692 C ASP A 41 -20.707 18.758 -22.501 1.00 63.10 C ATOM 693 O ASP A 41 -20.853 17.601 -22.110 1.00 63.31 O ATOM 694 CB ASP A 41 -21.071 18.143 -24.899 1.00 14.22 C ATOM 695 CG ASP A 41 -22.231 17.172 -25.001 1.00 13.30 C ATOM 696 OD1 ASP A 41 -22.213 16.149 -24.286 1.00 25.20 O ATOM 697 OD2 ASP A 41 -23.158 17.436 -25.797 1.00 24.54 O ATOM 0 H ASP A 41 -19.861 20.390 -24.805 1.00 74.23 H new ATOM 0 HA ASP A 41 -22.371 19.362 -23.700 1.00 4.31 H new ATOM 0 HB2 ASP A 41 -20.917 18.624 -25.865 1.00 14.22 H new ATOM 0 HB3 ASP A 41 -20.159 17.592 -24.669 1.00 14.22 H new ATOM 702 N ASN A 42 -20.037 19.676 -21.811 1.00 71.41 N ATOM 703 CA ASN A 42 -19.421 19.367 -20.526 1.00 33.14 C ATOM 704 C ASN A 42 -20.387 18.595 -19.631 1.00 50.42 C ATOM 705 O ASN A 42 -21.603 18.643 -19.823 1.00 45.33 O ATOM 706 CB ASN A 42 -18.979 20.654 -19.827 1.00 25.25 C ATOM 707 CG ASN A 42 -18.520 21.716 -20.807 1.00 54.20 C ATOM 708 OD1 ASN A 42 -17.828 21.420 -21.781 1.00 53.53 O ATOM 709 ND2 ASN A 42 -18.906 22.961 -20.553 1.00 5.34 N ATOM 0 H ASN A 42 -19.907 20.639 -22.120 1.00 71.41 H new ATOM 0 HA ASN A 42 -18.547 18.743 -20.711 1.00 33.14 H new ATOM 0 HB2 ASN A 42 -19.806 21.044 -19.234 1.00 25.25 H new ATOM 0 HB3 ASN A 42 -18.168 20.428 -19.134 1.00 25.25 H new ATOM 0 HD21 ASN A 42 -18.629 23.718 -21.178 1.00 5.34 H new ATOM 0 HD22 ASN A 42 -19.480 23.160 -19.733 1.00 5.34 H new ATOM 716 N THR A 43 -19.838 17.884 -18.651 1.00 42.23 N ATOM 717 CA THR A 43 -20.649 17.102 -17.727 1.00 52.13 C ATOM 718 C THR A 43 -20.742 17.782 -16.366 1.00 53.22 C ATOM 719 O THR A 43 -19.798 18.436 -15.923 1.00 12.01 O ATOM 720 CB THR A 43 -20.079 15.683 -17.542 1.00 10.25 C ATOM 721 OG1 THR A 43 -18.754 15.613 -18.080 1.00 0.41 O ATOM 722 CG2 THR A 43 -20.964 14.651 -18.224 1.00 20.25 C ATOM 0 H THR A 43 -18.834 17.834 -18.477 1.00 42.23 H new ATOM 0 HA THR A 43 -21.645 17.031 -18.163 1.00 52.13 H new ATOM 0 HB THR A 43 -20.049 15.464 -16.475 1.00 10.25 H new ATOM 0 HG1 THR A 43 -18.774 15.140 -18.938 1.00 0.41 H new ATOM 0 HG21 THR A 43 -20.541 13.657 -18.080 1.00 20.25 H new ATOM 0 HG22 THR A 43 -21.964 14.686 -17.791 1.00 20.25 H new ATOM 0 HG23 THR A 43 -21.022 14.869 -19.290 1.00 20.25 H new ATOM 730 N TRP A 44 -21.885 17.623 -15.708 1.00 3.40 N ATOM 731 CA TRP A 44 -22.100 18.223 -14.396 1.00 31.53 C ATOM 732 C TRP A 44 -21.843 17.209 -13.286 1.00 12.11 C ATOM 733 O TRP A 44 -22.544 16.203 -13.178 1.00 44.24 O ATOM 734 CB TRP A 44 -23.526 18.765 -14.288 1.00 11.12 C ATOM 735 CG TRP A 44 -24.019 19.395 -15.555 1.00 54.01 C ATOM 736 CD1 TRP A 44 -23.958 20.717 -15.891 1.00 41.30 C ATOM 737 CD2 TRP A 44 -24.651 18.729 -16.654 1.00 31.22 C ATOM 738 NE1 TRP A 44 -24.513 20.913 -17.132 1.00 54.35 N ATOM 739 CE2 TRP A 44 -24.945 19.709 -17.622 1.00 31.01 C ATOM 740 CE3 TRP A 44 -24.995 17.400 -16.915 1.00 61.20 C ATOM 741 CZ2 TRP A 44 -25.567 19.400 -18.828 1.00 73.15 C ATOM 742 CZ3 TRP A 44 -25.613 17.095 -18.113 1.00 24.21 C ATOM 743 CH2 TRP A 44 -25.893 18.091 -19.058 1.00 20.21 C ATOM 0 H TRP A 44 -22.676 17.084 -16.061 1.00 3.40 H new ATOM 0 HA TRP A 44 -21.396 19.047 -14.281 1.00 31.53 H new ATOM 0 HB2 TRP A 44 -24.196 17.951 -14.010 1.00 11.12 H new ATOM 0 HB3 TRP A 44 -23.568 19.501 -13.485 1.00 11.12 H new ATOM 0 HD1 TRP A 44 -23.535 21.494 -15.272 1.00 41.30 H new ATOM 0 HE1 TRP A 44 -24.591 21.810 -17.611 1.00 54.35 H new ATOM 0 HE3 TRP A 44 -24.782 16.625 -16.194 1.00 61.20 H new ATOM 0 HZ2 TRP A 44 -25.785 20.167 -19.557 1.00 73.15 H new ATOM 0 HZ3 TRP A 44 -25.885 16.071 -18.324 1.00 24.21 H new ATOM 0 HH2 TRP A 44 -26.375 17.820 -19.986 1.00 20.21 H new ATOM 754 N GLU A 45 -20.835 17.482 -12.463 1.00 71.51 N ATOM 755 CA GLU A 45 -20.487 16.591 -11.362 1.00 10.42 C ATOM 756 C GLU A 45 -20.569 17.322 -10.025 1.00 14.23 C ATOM 757 O GLU A 45 -19.945 18.367 -9.835 1.00 34.11 O ATOM 758 CB GLU A 45 -19.079 16.025 -11.560 1.00 35.00 C ATOM 759 CG GLU A 45 -18.998 14.963 -12.644 1.00 43.51 C ATOM 760 CD GLU A 45 -18.725 13.580 -12.086 1.00 74.14 C ATOM 761 OE1 GLU A 45 -19.215 13.281 -10.977 1.00 1.31 O ATOM 762 OE2 GLU A 45 -18.023 12.796 -12.759 1.00 11.34 O ATOM 0 H GLU A 45 -20.246 18.311 -12.538 1.00 71.51 H new ATOM 0 HA GLU A 45 -21.203 15.769 -11.353 1.00 10.42 H new ATOM 0 HB2 GLU A 45 -18.400 16.840 -11.810 1.00 35.00 H new ATOM 0 HB3 GLU A 45 -18.732 15.599 -10.619 1.00 35.00 H new ATOM 0 HG2 GLU A 45 -19.934 14.947 -13.203 1.00 43.51 H new ATOM 0 HG3 GLU A 45 -18.210 15.228 -13.349 1.00 43.51 H new ATOM 769 N THR A 46 -21.345 16.766 -9.099 1.00 60.54 N ATOM 770 CA THR A 46 -21.511 17.364 -7.781 1.00 34.31 C ATOM 771 C THR A 46 -20.179 17.859 -7.230 1.00 13.22 C ATOM 772 O THR A 46 -19.123 17.319 -7.556 1.00 72.41 O ATOM 773 CB THR A 46 -22.126 16.363 -6.784 1.00 13.42 C ATOM 774 OG1 THR A 46 -21.909 15.023 -7.238 1.00 75.10 O ATOM 775 CG2 THR A 46 -23.618 16.613 -6.617 1.00 63.14 C ATOM 0 H THR A 46 -21.868 15.902 -9.239 1.00 60.54 H new ATOM 0 HA THR A 46 -22.188 18.210 -7.900 1.00 34.31 H new ATOM 0 HB THR A 46 -21.640 16.501 -5.818 1.00 13.42 H new ATOM 0 HG1 THR A 46 -22.558 14.424 -6.813 1.00 75.10 H new ATOM 0 HG21 THR A 46 -24.030 15.894 -5.909 1.00 63.14 H new ATOM 0 HG22 THR A 46 -23.778 17.624 -6.243 1.00 63.14 H new ATOM 0 HG23 THR A 46 -24.116 16.500 -7.580 1.00 63.14 H new ATOM 783 N GLU A 47 -20.237 18.890 -6.392 1.00 52.14 N ATOM 784 CA GLU A 47 -19.033 19.458 -5.796 1.00 75.34 C ATOM 785 C GLU A 47 -18.280 18.407 -4.986 1.00 62.24 C ATOM 786 O GLU A 47 -17.077 18.532 -4.753 1.00 55.02 O ATOM 787 CB GLU A 47 -19.392 20.646 -4.902 1.00 52.30 C ATOM 788 CG GLU A 47 -18.288 21.034 -3.933 1.00 30.21 C ATOM 789 CD GLU A 47 -18.640 22.255 -3.106 1.00 21.04 C ATOM 790 OE1 GLU A 47 -19.445 22.120 -2.161 1.00 53.50 O ATOM 791 OE2 GLU A 47 -18.109 23.346 -3.403 1.00 61.54 O ATOM 0 H GLU A 47 -21.104 19.348 -6.111 1.00 52.14 H new ATOM 0 HA GLU A 47 -18.386 19.802 -6.603 1.00 75.34 H new ATOM 0 HB2 GLU A 47 -19.630 21.504 -5.531 1.00 52.30 H new ATOM 0 HB3 GLU A 47 -20.292 20.405 -4.337 1.00 52.30 H new ATOM 0 HG2 GLU A 47 -18.083 20.196 -3.267 1.00 30.21 H new ATOM 0 HG3 GLU A 47 -17.372 21.229 -4.491 1.00 30.21 H new ATOM 798 N ASP A 48 -18.995 17.372 -4.560 1.00 15.11 N ATOM 799 CA ASP A 48 -18.395 16.298 -3.776 1.00 55.53 C ATOM 800 C ASP A 48 -18.017 15.120 -4.669 1.00 12.45 C ATOM 801 O ASP A 48 -17.484 14.117 -4.195 1.00 65.15 O ATOM 802 CB ASP A 48 -19.359 15.837 -2.682 1.00 74.22 C ATOM 803 CG ASP A 48 -18.710 14.876 -1.706 1.00 23.01 C ATOM 804 OD1 ASP A 48 -17.956 15.343 -0.826 1.00 34.12 O ATOM 805 OD2 ASP A 48 -18.955 13.657 -1.821 1.00 52.24 O ATOM 0 H ASP A 48 -19.991 17.253 -4.744 1.00 15.11 H new ATOM 0 HA ASP A 48 -17.488 16.683 -3.311 1.00 55.53 H new ATOM 0 HB2 ASP A 48 -19.730 16.706 -2.139 1.00 74.22 H new ATOM 0 HB3 ASP A 48 -20.222 15.356 -3.142 1.00 74.22 H new ATOM 810 N ASP A 49 -18.298 15.249 -5.960 1.00 52.45 N ATOM 811 CA ASP A 49 -17.988 14.196 -6.919 1.00 65.44 C ATOM 812 C ASP A 49 -17.053 14.711 -8.009 1.00 62.13 C ATOM 813 O ASP A 49 -16.574 13.943 -8.844 1.00 73.33 O ATOM 814 CB ASP A 49 -19.272 13.653 -7.547 1.00 34.31 C ATOM 815 CG ASP A 49 -20.165 12.964 -6.534 1.00 33.12 C ATOM 816 OD1 ASP A 49 -19.789 12.919 -5.344 1.00 3.43 O ATOM 817 OD2 ASP A 49 -21.241 12.470 -6.931 1.00 12.03 O ATOM 0 H ASP A 49 -18.740 16.073 -6.367 1.00 52.45 H new ATOM 0 HA ASP A 49 -17.485 13.390 -6.385 1.00 65.44 H new ATOM 0 HB2 ASP A 49 -19.820 14.472 -8.012 1.00 34.31 H new ATOM 0 HB3 ASP A 49 -19.016 12.950 -8.339 1.00 34.31 H new ATOM 822 N ILE A 50 -16.798 16.015 -7.995 1.00 72.13 N ATOM 823 CA ILE A 50 -15.921 16.632 -8.982 1.00 40.04 C ATOM 824 C ILE A 50 -14.511 16.809 -8.430 1.00 43.21 C ATOM 825 O ILE A 50 -13.528 16.704 -9.164 1.00 41.51 O ATOM 826 CB ILE A 50 -16.459 18.002 -9.435 1.00 2.41 C ATOM 827 CG1 ILE A 50 -15.585 18.574 -10.553 1.00 62.33 C ATOM 828 CG2 ILE A 50 -16.517 18.964 -8.257 1.00 70.32 C ATOM 829 CD1 ILE A 50 -16.284 18.640 -11.893 1.00 14.22 C ATOM 0 H ILE A 50 -17.186 16.664 -7.311 1.00 72.13 H new ATOM 0 HA ILE A 50 -15.891 15.961 -9.841 1.00 40.04 H new ATOM 0 HB ILE A 50 -17.469 17.869 -9.821 1.00 2.41 H new ATOM 0 HG12 ILE A 50 -15.260 19.576 -10.272 1.00 62.33 H new ATOM 0 HG13 ILE A 50 -14.688 17.963 -10.650 1.00 62.33 H new ATOM 0 HG21 ILE A 50 -16.899 19.928 -8.593 1.00 70.32 H new ATOM 0 HG22 ILE A 50 -17.177 18.560 -7.489 1.00 70.32 H new ATOM 0 HG23 ILE A 50 -15.517 19.094 -7.844 1.00 70.32 H new ATOM 0 HD11 ILE A 50 -15.605 19.055 -12.638 1.00 14.22 H new ATOM 0 HD12 ILE A 50 -16.585 17.637 -12.196 1.00 14.22 H new ATOM 0 HD13 ILE A 50 -17.166 19.275 -11.812 1.00 14.22 H new ATOM 841 N ARG A 51 -14.419 17.076 -7.131 1.00 41.44 N ATOM 842 CA ARG A 51 -13.129 17.267 -6.480 1.00 43.30 C ATOM 843 C ARG A 51 -12.450 15.927 -6.214 1.00 72.32 C ATOM 844 O ARG A 51 -11.242 15.864 -5.985 1.00 43.15 O ATOM 845 CB ARG A 51 -13.305 18.031 -5.166 1.00 42.34 C ATOM 846 CG ARG A 51 -13.493 17.129 -3.958 1.00 5.24 C ATOM 847 CD ARG A 51 -14.833 16.413 -4.000 1.00 14.11 C ATOM 848 NE ARG A 51 -14.909 15.334 -3.019 1.00 24.21 N ATOM 849 CZ ARG A 51 -14.986 15.536 -1.708 1.00 51.03 C ATOM 850 NH1 ARG A 51 -14.999 16.770 -1.224 1.00 40.32 N ATOM 851 NH2 ARG A 51 -15.051 14.502 -0.879 1.00 15.30 N ATOM 0 H ARG A 51 -15.223 17.165 -6.509 1.00 41.44 H new ATOM 0 HA ARG A 51 -12.496 17.849 -7.149 1.00 43.30 H new ATOM 0 HB2 ARG A 51 -12.433 18.664 -5.004 1.00 42.34 H new ATOM 0 HB3 ARG A 51 -14.167 18.692 -5.253 1.00 42.34 H new ATOM 0 HG2 ARG A 51 -12.688 16.395 -3.922 1.00 5.24 H new ATOM 0 HG3 ARG A 51 -13.425 17.722 -3.046 1.00 5.24 H new ATOM 0 HD2 ARG A 51 -15.633 17.130 -3.813 1.00 14.11 H new ATOM 0 HD3 ARG A 51 -14.996 16.007 -4.998 1.00 14.11 H new ATOM 0 HE ARG A 51 -14.903 14.372 -3.359 1.00 24.21 H new ATOM 0 HH11 ARG A 51 -14.950 17.567 -1.858 1.00 40.32 H new ATOM 0 HH12 ARG A 51 -15.058 16.922 -0.217 1.00 40.32 H new ATOM 0 HH21 ARG A 51 -15.042 13.551 -1.248 1.00 15.30 H new ATOM 0 HH22 ARG A 51 -15.110 14.658 0.127 1.00 15.30 H new ATOM 865 N THR A 52 -13.236 14.855 -6.245 1.00 72.11 N ATOM 866 CA THR A 52 -12.713 13.516 -6.006 1.00 64.01 C ATOM 867 C THR A 52 -12.229 12.875 -7.302 1.00 4.41 C ATOM 868 O THR A 52 -11.326 12.038 -7.294 1.00 4.44 O ATOM 869 CB THR A 52 -13.774 12.605 -5.361 1.00 61.53 C ATOM 870 OG1 THR A 52 -13.218 11.310 -5.106 1.00 1.05 O ATOM 871 CG2 THR A 52 -14.992 12.470 -6.263 1.00 65.13 C ATOM 0 H THR A 52 -14.238 14.889 -6.433 1.00 72.11 H new ATOM 0 HA THR A 52 -11.872 13.623 -5.321 1.00 64.01 H new ATOM 0 HB THR A 52 -14.086 13.058 -4.420 1.00 61.53 H new ATOM 0 HG1 THR A 52 -13.898 10.737 -4.694 1.00 1.05 H new ATOM 0 HG21 THR A 52 -15.728 11.822 -5.786 1.00 65.13 H new ATOM 0 HG22 THR A 52 -15.430 13.454 -6.432 1.00 65.13 H new ATOM 0 HG23 THR A 52 -14.692 12.038 -7.217 1.00 65.13 H new ATOM 879 N LYS A 53 -12.834 13.274 -8.415 1.00 61.15 N ATOM 880 CA LYS A 53 -12.464 12.740 -9.721 1.00 42.50 C ATOM 881 C LYS A 53 -11.601 13.735 -10.490 1.00 45.33 C ATOM 882 O LYS A 53 -10.718 13.345 -11.255 1.00 22.33 O ATOM 883 CB LYS A 53 -13.718 12.404 -10.531 1.00 65.44 C ATOM 884 CG LYS A 53 -14.676 11.472 -9.810 1.00 21.11 C ATOM 885 CD LYS A 53 -16.075 11.547 -10.398 1.00 31.03 C ATOM 886 CE LYS A 53 -17.124 11.072 -9.403 1.00 45.52 C ATOM 887 NZ LYS A 53 -17.003 9.615 -9.124 1.00 35.31 N ATOM 0 H LYS A 53 -13.583 13.966 -8.439 1.00 61.15 H new ATOM 0 HA LYS A 53 -11.886 11.830 -9.563 1.00 42.50 H new ATOM 0 HB2 LYS A 53 -14.240 13.329 -10.777 1.00 65.44 H new ATOM 0 HB3 LYS A 53 -13.419 11.946 -11.474 1.00 65.44 H new ATOM 0 HG2 LYS A 53 -14.307 10.448 -9.875 1.00 21.11 H new ATOM 0 HG3 LYS A 53 -14.711 11.732 -8.752 1.00 21.11 H new ATOM 0 HD2 LYS A 53 -16.292 12.573 -10.695 1.00 31.03 H new ATOM 0 HD3 LYS A 53 -16.125 10.937 -11.300 1.00 31.03 H new ATOM 0 HE2 LYS A 53 -17.021 11.630 -8.472 1.00 45.52 H new ATOM 0 HE3 LYS A 53 -18.119 11.286 -9.794 1.00 45.52 H new ATOM 0 HZ1 LYS A 53 -17.735 9.330 -8.442 1.00 35.31 H new ATOM 0 HZ2 LYS A 53 -17.127 9.081 -10.008 1.00 35.31 H new ATOM 0 HZ3 LYS A 53 -16.063 9.414 -8.727 1.00 35.31 H new ATOM 901 N TYR A 54 -11.860 15.021 -10.282 1.00 50.33 N ATOM 902 CA TYR A 54 -11.107 16.072 -10.957 1.00 71.22 C ATOM 903 C TYR A 54 -10.593 17.102 -9.956 1.00 42.25 C ATOM 904 O TYR A 54 -10.489 18.288 -10.267 1.00 11.11 O ATOM 905 CB TYR A 54 -11.980 16.758 -12.010 1.00 23.04 C ATOM 906 CG TYR A 54 -12.834 15.798 -12.807 1.00 1.51 C ATOM 907 CD1 TYR A 54 -12.254 14.822 -13.607 1.00 62.22 C ATOM 908 CD2 TYR A 54 -14.221 15.869 -12.761 1.00 63.01 C ATOM 909 CE1 TYR A 54 -13.030 13.943 -14.338 1.00 51.31 C ATOM 910 CE2 TYR A 54 -15.005 14.994 -13.487 1.00 62.23 C ATOM 911 CZ TYR A 54 -14.405 14.033 -14.274 1.00 50.04 C ATOM 912 OH TYR A 54 -15.183 13.160 -15.001 1.00 3.35 O ATOM 0 H TYR A 54 -12.586 15.361 -9.651 1.00 50.33 H new ATOM 0 HA TYR A 54 -10.250 15.612 -11.449 1.00 71.22 H new ATOM 0 HB2 TYR A 54 -12.627 17.483 -11.517 1.00 23.04 H new ATOM 0 HB3 TYR A 54 -11.340 17.315 -12.694 1.00 23.04 H new ATOM 0 HD1 TYR A 54 -11.178 14.749 -13.659 1.00 62.22 H new ATOM 0 HD2 TYR A 54 -14.694 16.621 -12.147 1.00 63.01 H new ATOM 0 HE1 TYR A 54 -12.563 13.190 -14.956 1.00 51.31 H new ATOM 0 HE2 TYR A 54 -16.082 15.062 -13.439 1.00 62.23 H new ATOM 0 HH TYR A 54 -16.130 13.357 -14.844 1.00 3.35 H new ATOM 922 N GLY A 55 -10.271 16.639 -8.752 1.00 61.13 N ATOM 923 CA GLY A 55 -9.771 17.532 -7.723 1.00 65.44 C ATOM 924 C GLY A 55 -8.603 18.371 -8.202 1.00 43.20 C ATOM 925 O GLY A 55 -8.313 19.425 -7.635 1.00 32.23 O ATOM 0 H GLY A 55 -10.347 15.661 -8.471 1.00 61.13 H new ATOM 0 HA2 GLY A 55 -10.576 18.189 -7.394 1.00 65.44 H new ATOM 0 HA3 GLY A 55 -9.463 16.947 -6.857 1.00 65.44 H new ATOM 929 N ASP A 56 -7.929 17.904 -9.247 1.00 74.24 N ATOM 930 CA ASP A 56 -6.786 18.619 -9.802 1.00 23.40 C ATOM 931 C ASP A 56 -7.195 20.005 -10.289 1.00 14.11 C ATOM 932 O ASP A 56 -6.601 21.012 -9.901 1.00 31.21 O ATOM 933 CB ASP A 56 -6.168 17.822 -10.953 1.00 15.23 C ATOM 934 CG ASP A 56 -4.738 17.408 -10.668 1.00 73.41 C ATOM 935 OD1 ASP A 56 -3.820 18.200 -10.966 1.00 1.11 O ATOM 936 OD2 ASP A 56 -4.537 16.291 -10.147 1.00 33.03 O ATOM 0 H ASP A 56 -8.155 17.033 -9.727 1.00 74.24 H new ATOM 0 HA ASP A 56 -6.044 18.736 -9.012 1.00 23.40 H new ATOM 0 HB2 ASP A 56 -6.770 16.933 -11.140 1.00 15.23 H new ATOM 0 HB3 ASP A 56 -6.195 18.422 -11.862 1.00 15.23 H new ATOM 941 N LEU A 57 -8.213 20.050 -11.141 1.00 53.12 N ATOM 942 CA LEU A 57 -8.703 21.313 -11.683 1.00 4.34 C ATOM 943 C LEU A 57 -9.671 21.983 -10.713 1.00 30.22 C ATOM 944 O LEU A 57 -9.742 23.210 -10.638 1.00 34.52 O ATOM 945 CB LEU A 57 -9.390 21.082 -13.029 1.00 71.53 C ATOM 946 CG LEU A 57 -10.068 19.723 -13.212 1.00 2.02 C ATOM 947 CD1 LEU A 57 -11.314 19.860 -14.073 1.00 31.45 C ATOM 948 CD2 LEU A 57 -9.100 18.722 -13.826 1.00 41.55 C ATOM 0 H LEU A 57 -8.716 19.226 -11.472 1.00 53.12 H new ATOM 0 HA LEU A 57 -7.848 21.973 -11.828 1.00 4.34 H new ATOM 0 HB2 LEU A 57 -10.139 21.861 -13.171 1.00 71.53 H new ATOM 0 HB3 LEU A 57 -8.649 21.205 -13.819 1.00 71.53 H new ATOM 0 HG LEU A 57 -10.368 19.353 -12.232 1.00 2.02 H new ATOM 0 HD11 LEU A 57 -11.783 18.883 -14.192 1.00 31.45 H new ATOM 0 HD12 LEU A 57 -12.015 20.543 -13.593 1.00 31.45 H new ATOM 0 HD13 LEU A 57 -11.038 20.252 -15.052 1.00 31.45 H new ATOM 0 HD21 LEU A 57 -9.600 17.761 -13.949 1.00 41.55 H new ATOM 0 HD22 LEU A 57 -8.769 19.086 -14.799 1.00 41.55 H new ATOM 0 HD23 LEU A 57 -8.237 18.601 -13.171 1.00 41.55 H new ATOM 960 N VAL A 58 -10.414 21.168 -9.970 1.00 10.51 N ATOM 961 CA VAL A 58 -11.376 21.681 -9.002 1.00 10.52 C ATOM 962 C VAL A 58 -10.714 22.652 -8.030 1.00 62.13 C ATOM 963 O VAL A 58 -11.280 23.692 -7.694 1.00 5.32 O ATOM 964 CB VAL A 58 -12.032 20.539 -8.203 1.00 5.42 C ATOM 965 CG1 VAL A 58 -12.967 21.098 -7.142 1.00 11.53 C ATOM 966 CG2 VAL A 58 -12.774 19.595 -9.136 1.00 21.23 C ATOM 0 H VAL A 58 -10.368 20.150 -10.020 1.00 10.51 H new ATOM 0 HA VAL A 58 -12.145 22.206 -9.568 1.00 10.52 H new ATOM 0 HB VAL A 58 -11.248 19.974 -7.700 1.00 5.42 H new ATOM 0 HG11 VAL A 58 -13.421 20.277 -6.588 1.00 11.53 H new ATOM 0 HG12 VAL A 58 -12.403 21.730 -6.456 1.00 11.53 H new ATOM 0 HG13 VAL A 58 -13.748 21.689 -7.620 1.00 11.53 H new ATOM 0 HG21 VAL A 58 -13.231 18.794 -8.555 1.00 21.23 H new ATOM 0 HG22 VAL A 58 -13.549 20.145 -9.669 1.00 21.23 H new ATOM 0 HG23 VAL A 58 -12.074 19.168 -9.854 1.00 21.23 H new ATOM 976 N ASP A 59 -9.512 22.305 -7.583 1.00 71.22 N ATOM 977 CA ASP A 59 -8.771 23.146 -6.651 1.00 2.02 C ATOM 978 C ASP A 59 -8.073 24.287 -7.385 1.00 31.11 C ATOM 979 O ASP A 59 -7.324 25.058 -6.785 1.00 12.21 O ATOM 980 CB ASP A 59 -7.743 22.312 -5.885 1.00 1.04 C ATOM 981 CG ASP A 59 -8.377 21.471 -4.794 1.00 62.33 C ATOM 982 OD1 ASP A 59 -9.609 21.270 -4.840 1.00 63.42 O ATOM 983 OD2 ASP A 59 -7.641 21.013 -3.896 1.00 20.44 O ATOM 0 H ASP A 59 -9.030 21.447 -7.851 1.00 71.22 H new ATOM 0 HA ASP A 59 -9.481 23.574 -5.943 1.00 2.02 H new ATOM 0 HB2 ASP A 59 -7.216 21.660 -6.582 1.00 1.04 H new ATOM 0 HB3 ASP A 59 -6.999 22.974 -5.443 1.00 1.04 H new ATOM 988 N ASP A 60 -8.323 24.387 -8.686 1.00 32.13 N ATOM 989 CA ASP A 60 -7.719 25.433 -9.502 1.00 52.42 C ATOM 990 C ASP A 60 -8.777 26.415 -9.997 1.00 60.01 C ATOM 991 O ASP A 60 -8.460 27.535 -10.399 1.00 32.12 O ATOM 992 CB ASP A 60 -6.980 24.819 -10.692 1.00 25.15 C ATOM 993 CG ASP A 60 -5.616 25.445 -10.912 1.00 34.13 C ATOM 994 OD1 ASP A 60 -5.535 26.443 -11.658 1.00 12.54 O ATOM 995 OD2 ASP A 60 -4.631 24.937 -10.337 1.00 70.24 O ATOM 0 H ASP A 60 -8.940 23.756 -9.198 1.00 32.13 H new ATOM 0 HA ASP A 60 -7.006 25.976 -8.882 1.00 52.42 H new ATOM 0 HB2 ASP A 60 -6.863 23.748 -10.530 1.00 25.15 H new ATOM 0 HB3 ASP A 60 -7.582 24.941 -11.592 1.00 25.15 H new ATOM 1000 N PHE A 61 -10.035 25.987 -9.966 1.00 64.13 N ATOM 1001 CA PHE A 61 -11.139 26.827 -10.414 1.00 14.12 C ATOM 1002 C PHE A 61 -11.834 27.489 -9.228 1.00 10.45 C ATOM 1003 O PHE A 61 -11.880 28.715 -9.128 1.00 32.11 O ATOM 1004 CB PHE A 61 -12.148 25.998 -11.212 1.00 22.02 C ATOM 1005 CG PHE A 61 -13.400 26.751 -11.561 1.00 22.41 C ATOM 1006 CD1 PHE A 61 -13.446 27.562 -12.683 1.00 2.41 C ATOM 1007 CD2 PHE A 61 -14.531 26.646 -10.768 1.00 21.14 C ATOM 1008 CE1 PHE A 61 -14.596 28.257 -13.006 1.00 35.42 C ATOM 1009 CE2 PHE A 61 -15.685 27.337 -11.086 1.00 4.43 C ATOM 1010 CZ PHE A 61 -15.718 28.143 -12.207 1.00 4.10 C ATOM 0 H PHE A 61 -10.315 25.064 -9.635 1.00 64.13 H new ATOM 0 HA PHE A 61 -10.731 27.607 -11.057 1.00 14.12 H new ATOM 0 HB2 PHE A 61 -11.675 25.650 -12.130 1.00 22.02 H new ATOM 0 HB3 PHE A 61 -12.415 25.112 -10.636 1.00 22.02 H new ATOM 0 HD1 PHE A 61 -12.573 27.652 -13.313 1.00 2.41 H new ATOM 0 HD2 PHE A 61 -14.511 26.017 -9.891 1.00 21.14 H new ATOM 0 HE1 PHE A 61 -14.618 28.889 -13.882 1.00 35.42 H new ATOM 0 HE2 PHE A 61 -16.560 27.247 -10.459 1.00 4.43 H new ATOM 0 HZ PHE A 61 -16.619 28.683 -12.459 1.00 4.10 H new ATOM 1020 N GLU A 62 -12.373 26.669 -8.331 1.00 72.34 N ATOM 1021 CA GLU A 62 -13.067 27.175 -7.153 1.00 23.02 C ATOM 1022 C GLU A 62 -12.115 27.963 -6.258 1.00 44.30 C ATOM 1023 O GLU A 62 -12.495 28.973 -5.664 1.00 64.50 O ATOM 1024 CB GLU A 62 -13.687 26.020 -6.364 1.00 13.34 C ATOM 1025 CG GLU A 62 -12.682 25.243 -5.531 1.00 31.24 C ATOM 1026 CD GLU A 62 -13.127 23.819 -5.258 1.00 52.04 C ATOM 1027 OE1 GLU A 62 -14.181 23.415 -5.793 1.00 51.11 O ATOM 1028 OE2 GLU A 62 -12.422 23.109 -4.511 1.00 54.11 O ATOM 0 H GLU A 62 -12.342 25.652 -8.398 1.00 72.34 H new ATOM 0 HA GLU A 62 -13.860 27.843 -7.489 1.00 23.02 H new ATOM 0 HB2 GLU A 62 -14.462 26.415 -5.707 1.00 13.34 H new ATOM 0 HB3 GLU A 62 -14.175 25.337 -7.059 1.00 13.34 H new ATOM 0 HG2 GLU A 62 -11.722 25.227 -6.048 1.00 31.24 H new ATOM 0 HG3 GLU A 62 -12.525 25.759 -4.584 1.00 31.24 H new ATOM 1035 N LYS A 63 -10.875 27.495 -6.166 1.00 24.10 N ATOM 1036 CA LYS A 63 -9.866 28.154 -5.345 1.00 50.30 C ATOM 1037 C LYS A 63 -9.510 29.523 -5.916 1.00 12.44 C ATOM 1038 O LYS A 63 -8.849 30.327 -5.259 1.00 64.45 O ATOM 1039 CB LYS A 63 -8.609 27.287 -5.251 1.00 22.13 C ATOM 1040 CG LYS A 63 -8.824 25.984 -4.501 1.00 22.32 C ATOM 1041 CD LYS A 63 -9.274 26.231 -3.071 1.00 31.02 C ATOM 1042 CE LYS A 63 -8.476 25.394 -2.083 1.00 12.14 C ATOM 1043 NZ LYS A 63 -7.263 26.111 -1.601 1.00 12.21 N ATOM 0 H LYS A 63 -10.544 26.661 -6.651 1.00 24.10 H new ATOM 0 HA LYS A 63 -10.280 28.292 -4.346 1.00 50.30 H new ATOM 0 HB2 LYS A 63 -8.256 27.063 -6.258 1.00 22.13 H new ATOM 0 HB3 LYS A 63 -7.822 27.856 -4.756 1.00 22.13 H new ATOM 0 HG2 LYS A 63 -9.571 25.384 -5.020 1.00 22.32 H new ATOM 0 HG3 LYS A 63 -7.899 25.408 -4.498 1.00 22.32 H new ATOM 0 HD2 LYS A 63 -9.160 27.288 -2.830 1.00 31.02 H new ATOM 0 HD3 LYS A 63 -10.334 25.995 -2.976 1.00 31.02 H new ATOM 0 HE2 LYS A 63 -9.107 25.136 -1.233 1.00 12.14 H new ATOM 0 HE3 LYS A 63 -8.180 24.458 -2.556 1.00 12.14 H new ATOM 0 HZ1 LYS A 63 -6.747 25.507 -0.930 1.00 12.21 H new ATOM 0 HZ2 LYS A 63 -6.648 26.335 -2.409 1.00 12.21 H new ATOM 0 HZ3 LYS A 63 -7.546 26.992 -1.127 1.00 12.21 H new ATOM 1057 N ASN A 64 -9.955 29.783 -7.141 1.00 32.31 N ATOM 1058 CA ASN A 64 -9.684 31.056 -7.799 1.00 71.40 C ATOM 1059 C ASN A 64 -10.906 31.967 -7.745 1.00 13.34 C ATOM 1060 O ASN A 64 -10.778 33.190 -7.690 1.00 40.02 O ATOM 1061 CB ASN A 64 -9.271 30.824 -9.254 1.00 35.40 C ATOM 1062 CG ASN A 64 -7.849 30.313 -9.377 1.00 43.51 C ATOM 1063 OD1 ASN A 64 -7.507 29.314 -8.572 1.00 55.34 O flip ATOM 1064 ND2 ASN A 64 -7.066 30.812 -10.186 1.00 61.03 N flip ATOM 0 H ASN A 64 -10.505 29.129 -7.698 1.00 32.31 H new ATOM 0 HA ASN A 64 -8.866 31.543 -7.269 1.00 71.40 H new ATOM 0 HB2 ASN A 64 -9.953 30.107 -9.712 1.00 35.40 H new ATOM 0 HB3 ASN A 64 -9.368 31.757 -9.810 1.00 35.40 H new ATOM 0 HD21 ASN A 64 -7.372 31.579 -10.785 1.00 61.03 H new ATOM 0 HD22 ASN A 64 -6.112 30.459 -10.257 1.00 61.03 H new ATOM 1071 N GLN A 65 -12.090 31.363 -7.759 1.00 62.21 N ATOM 1072 CA GLN A 65 -13.335 32.120 -7.711 1.00 43.44 C ATOM 1073 C GLN A 65 -13.726 32.435 -6.271 1.00 43.12 C ATOM 1074 O GLN A 65 -14.335 33.468 -5.993 1.00 51.24 O ATOM 1075 CB GLN A 65 -14.457 31.341 -8.399 1.00 13.15 C ATOM 1076 CG GLN A 65 -14.994 30.187 -7.567 1.00 63.23 C ATOM 1077 CD GLN A 65 -16.211 30.573 -6.750 1.00 24.54 C ATOM 1078 OE1 GLN A 65 -16.088 31.080 -5.634 1.00 70.03 O ATOM 1079 NE2 GLN A 65 -17.395 30.334 -7.301 1.00 23.40 N ATOM 0 H GLN A 65 -12.213 30.351 -7.803 1.00 62.21 H new ATOM 0 HA GLN A 65 -13.179 33.061 -8.239 1.00 43.44 H new ATOM 0 HB2 GLN A 65 -15.275 32.024 -8.629 1.00 13.15 H new ATOM 0 HB3 GLN A 65 -14.089 30.953 -9.349 1.00 13.15 H new ATOM 0 HG2 GLN A 65 -15.252 29.358 -8.226 1.00 63.23 H new ATOM 0 HG3 GLN A 65 -14.210 29.831 -6.898 1.00 63.23 H new ATOM 0 HE21 GLN A 65 -17.450 29.912 -8.228 1.00 23.40 H new ATOM 0 HE22 GLN A 65 -18.249 30.572 -6.797 1.00 23.40 H new ATOM 1088 N LYS A 66 -13.372 31.537 -5.358 1.00 4.52 N ATOM 1089 CA LYS A 66 -13.684 31.719 -3.945 1.00 71.51 C ATOM 1090 C LYS A 66 -13.031 32.985 -3.401 1.00 50.25 C ATOM 1091 O LYS A 66 -13.418 33.493 -2.349 1.00 2.03 O ATOM 1092 CB LYS A 66 -13.217 30.505 -3.139 1.00 21.33 C ATOM 1093 CG LYS A 66 -14.159 29.317 -3.227 1.00 32.33 C ATOM 1094 CD LYS A 66 -15.554 29.675 -2.743 1.00 35.40 C ATOM 1095 CE LYS A 66 -16.412 28.434 -2.547 1.00 22.41 C ATOM 1096 NZ LYS A 66 -17.542 28.682 -1.609 1.00 43.43 N ATOM 0 H LYS A 66 -12.869 30.676 -5.571 1.00 4.52 H new ATOM 0 HA LYS A 66 -14.765 31.819 -3.848 1.00 71.51 H new ATOM 0 HB2 LYS A 66 -12.231 30.203 -3.492 1.00 21.33 H new ATOM 0 HB3 LYS A 66 -13.107 30.794 -2.094 1.00 21.33 H new ATOM 0 HG2 LYS A 66 -14.209 28.967 -4.258 1.00 32.33 H new ATOM 0 HG3 LYS A 66 -13.766 28.494 -2.630 1.00 32.33 H new ATOM 0 HD2 LYS A 66 -15.485 30.223 -1.803 1.00 35.40 H new ATOM 0 HD3 LYS A 66 -16.031 30.338 -3.464 1.00 35.40 H new ATOM 0 HE2 LYS A 66 -16.805 28.108 -3.510 1.00 22.41 H new ATOM 0 HE3 LYS A 66 -15.794 27.622 -2.164 1.00 22.41 H new ATOM 0 HZ1 LYS A 66 -18.102 27.812 -1.503 1.00 43.43 H new ATOM 0 HZ2 LYS A 66 -17.167 28.968 -0.682 1.00 43.43 H new ATOM 0 HZ3 LYS A 66 -18.147 29.439 -1.987 1.00 43.43 H new ATOM 1110 N LYS A 67 -12.040 33.492 -4.126 1.00 44.24 N ATOM 1111 CA LYS A 67 -11.334 34.701 -3.719 1.00 50.41 C ATOM 1112 C LYS A 67 -10.748 34.544 -2.320 1.00 2.03 C ATOM 1113 O LYS A 67 -9.765 33.828 -2.125 1.00 12.13 O ATOM 1114 CB LYS A 67 -12.279 35.905 -3.755 1.00 60.43 C ATOM 1115 CG LYS A 67 -11.575 37.222 -4.030 1.00 55.42 C ATOM 1116 CD LYS A 67 -12.408 38.406 -3.567 1.00 3.24 C ATOM 1117 CE LYS A 67 -12.608 39.419 -4.684 1.00 21.50 C ATOM 1118 NZ LYS A 67 -13.080 40.732 -4.164 1.00 63.05 N ATOM 0 H LYS A 67 -11.707 33.084 -5.000 1.00 44.24 H new ATOM 0 HA LYS A 67 -10.516 34.867 -4.420 1.00 50.41 H new ATOM 0 HB2 LYS A 67 -13.035 35.740 -4.522 1.00 60.43 H new ATOM 0 HB3 LYS A 67 -12.802 35.974 -2.801 1.00 60.43 H new ATOM 0 HG2 LYS A 67 -10.611 37.233 -3.522 1.00 55.42 H new ATOM 0 HG3 LYS A 67 -11.374 37.312 -5.097 1.00 55.42 H new ATOM 0 HD2 LYS A 67 -13.378 38.054 -3.216 1.00 3.24 H new ATOM 0 HD3 LYS A 67 -11.918 38.888 -2.721 1.00 3.24 H new ATOM 0 HE2 LYS A 67 -11.670 39.557 -5.221 1.00 21.50 H new ATOM 0 HE3 LYS A 67 -13.332 39.031 -5.401 1.00 21.50 H new ATOM 0 HZ1 LYS A 67 -13.204 41.395 -4.956 1.00 63.05 H new ATOM 0 HZ2 LYS A 67 -13.988 40.605 -3.673 1.00 63.05 H new ATOM 0 HZ3 LYS A 67 -12.378 41.115 -3.499 1.00 63.05 H new TER 1132 LYS A 67