USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 705 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot -93:sc= 0.0717 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 14 SER OG : rot 180:sc= -0.441 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -164:sc= -0.188 (180deg=-0.85) USER MOD Single : A 23 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.182 (180deg=-0.779) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -140:sc= -0.624 USER MOD Single : A 37 THR OG1 : rot 58:sc= -0.0678 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0803 F(o=-0.86,f=-0.08) USER MOD Single : A 49 SER OG : rot 49:sc= 0.103 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 177:sc= -3.61! (180deg=-4.03!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 66 MET CE :methyl 155:sc= -1.51 (180deg=-4.37!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 0.0517 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0767) USER MOD Single : A 78 GLN : amide:sc= 0.0853 K(o=0.085,f=-5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.21) USER MOD Single : A 85 CYS SG : rot -160:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.864 -8.675 6.517 1.00 0.00 N ATOM 2 CA GLY A 1 29.053 -8.483 7.327 1.00 0.00 C ATOM 3 C GLY A 1 28.896 -7.358 8.331 1.00 0.00 C ATOM 4 O GLY A 1 29.050 -7.565 9.534 1.00 0.00 O ATOM 0 H1 GLY A 1 28.022 -9.455 5.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.058 -8.906 7.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.658 -7.802 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.282 -9.408 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.901 -8.269 6.677 1.00 0.00 H new ATOM 8 N SER A 2 28.590 -6.164 7.835 1.00 0.00 N ATOM 9 CA SER A 2 28.417 -5.000 8.697 1.00 0.00 C ATOM 10 C SER A 2 27.214 -4.172 8.256 1.00 0.00 C ATOM 11 O SER A 2 26.886 -4.114 7.071 1.00 0.00 O ATOM 12 CB SER A 2 29.679 -4.135 8.680 1.00 0.00 C ATOM 13 OG SER A 2 29.409 -2.829 9.158 1.00 0.00 O ATOM 0 H SER A 2 28.457 -5.977 6.841 1.00 0.00 H new ATOM 0 HA SER A 2 28.241 -5.354 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.450 -4.599 9.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.072 -4.080 7.665 1.00 0.00 H new ATOM 0 HG SER A 2 30.232 -2.297 9.139 1.00 0.00 H new ATOM 19 N SER A 3 26.560 -3.532 9.220 1.00 0.00 N ATOM 20 CA SER A 3 25.390 -2.710 8.934 1.00 0.00 C ATOM 21 C SER A 3 25.800 -1.377 8.315 1.00 0.00 C ATOM 22 O SER A 3 26.726 -0.719 8.788 1.00 0.00 O ATOM 23 CB SER A 3 24.588 -2.464 10.214 1.00 0.00 C ATOM 24 OG SER A 3 25.188 -1.455 11.006 1.00 0.00 O ATOM 0 H SER A 3 26.820 -3.567 10.206 1.00 0.00 H new ATOM 0 HA SER A 3 24.766 -3.247 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.569 -2.172 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.520 -3.388 10.788 1.00 0.00 H new ATOM 0 HG SER A 3 24.656 -1.316 11.817 1.00 0.00 H new ATOM 30 N GLY A 4 25.104 -0.986 7.251 1.00 0.00 N ATOM 31 CA GLY A 4 25.411 0.265 6.583 1.00 0.00 C ATOM 32 C GLY A 4 24.744 0.376 5.226 1.00 0.00 C ATOM 33 O GLY A 4 25.017 -0.419 4.327 1.00 0.00 O ATOM 0 H GLY A 4 24.334 -1.513 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.091 1.097 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.491 0.354 6.462 1.00 0.00 H new ATOM 37 N SER A 5 23.867 1.363 5.078 1.00 0.00 N ATOM 38 CA SER A 5 23.155 1.572 3.823 1.00 0.00 C ATOM 39 C SER A 5 23.818 2.672 2.999 1.00 0.00 C ATOM 40 O SER A 5 24.074 3.767 3.499 1.00 0.00 O ATOM 41 CB SER A 5 21.693 1.932 4.094 1.00 0.00 C ATOM 42 OG SER A 5 21.228 1.315 5.282 1.00 0.00 O ATOM 0 H SER A 5 23.632 2.031 5.812 1.00 0.00 H new ATOM 0 HA SER A 5 23.192 0.643 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.591 3.014 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.076 1.619 3.252 1.00 0.00 H new ATOM 0 HG SER A 5 20.292 1.562 5.434 1.00 0.00 H new ATOM 48 N SER A 6 24.092 2.371 1.734 1.00 0.00 N ATOM 49 CA SER A 6 24.728 3.333 0.841 1.00 0.00 C ATOM 50 C SER A 6 23.722 4.371 0.355 1.00 0.00 C ATOM 51 O SER A 6 22.515 4.134 0.364 1.00 0.00 O ATOM 52 CB SER A 6 25.353 2.613 -0.356 1.00 0.00 C ATOM 53 OG SER A 6 24.354 2.105 -1.224 1.00 0.00 O ATOM 0 H SER A 6 23.884 1.470 1.304 1.00 0.00 H new ATOM 0 HA SER A 6 25.512 3.846 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.998 3.301 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.983 1.796 -0.005 1.00 0.00 H new ATOM 0 HG SER A 6 24.779 1.651 -1.982 1.00 0.00 H new ATOM 59 N GLY A 7 24.230 5.525 -0.068 1.00 0.00 N ATOM 60 CA GLY A 7 23.363 6.584 -0.552 1.00 0.00 C ATOM 61 C GLY A 7 23.487 6.797 -2.047 1.00 0.00 C ATOM 62 O GLY A 7 23.634 7.927 -2.510 1.00 0.00 O ATOM 0 H GLY A 7 25.226 5.745 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.329 6.343 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.605 7.512 -0.035 1.00 0.00 H new ATOM 66 N GLY A 8 23.427 5.707 -2.806 1.00 0.00 N ATOM 67 CA GLY A 8 23.537 5.801 -4.250 1.00 0.00 C ATOM 68 C GLY A 8 22.234 5.479 -4.953 1.00 0.00 C ATOM 69 O GLY A 8 21.368 6.342 -5.099 1.00 0.00 O ATOM 0 H GLY A 8 23.304 4.760 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.854 6.808 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 8 24.312 5.118 -4.597 1.00 0.00 H new ATOM 73 N THR A 9 22.092 4.232 -5.392 1.00 0.00 N ATOM 74 CA THR A 9 20.886 3.798 -6.086 1.00 0.00 C ATOM 75 C THR A 9 20.437 2.424 -5.602 1.00 0.00 C ATOM 76 O THR A 9 21.200 1.700 -4.963 1.00 0.00 O ATOM 77 CB THR A 9 21.104 3.746 -7.610 1.00 0.00 C ATOM 78 OG1 THR A 9 22.098 2.767 -7.931 1.00 0.00 O ATOM 79 CG2 THR A 9 21.534 5.105 -8.142 1.00 0.00 C ATOM 0 H THR A 9 22.798 3.505 -5.279 1.00 0.00 H new ATOM 0 HA THR A 9 20.111 4.531 -5.861 1.00 0.00 H new ATOM 0 HB THR A 9 20.160 3.471 -8.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 22.229 2.740 -8.902 1.00 0.00 H new ATOM 0 HG21 THR A 9 21.682 5.043 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 9 20.762 5.842 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 9 22.467 5.404 -7.664 1.00 0.00 H new ATOM 87 N VAL A 10 19.193 2.071 -5.909 1.00 0.00 N ATOM 88 CA VAL A 10 18.642 0.783 -5.506 1.00 0.00 C ATOM 89 C VAL A 10 18.461 -0.137 -6.708 1.00 0.00 C ATOM 90 O VAL A 10 17.914 0.265 -7.734 1.00 0.00 O ATOM 91 CB VAL A 10 17.287 0.950 -4.792 1.00 0.00 C ATOM 92 CG1 VAL A 10 16.777 -0.393 -4.294 1.00 0.00 C ATOM 93 CG2 VAL A 10 17.409 1.943 -3.646 1.00 0.00 C ATOM 0 H VAL A 10 18.547 2.659 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 10 19.356 0.336 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 10 16.564 1.343 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.819 -0.255 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.650 -1.070 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 10 17.496 -0.818 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 10 16.443 2.049 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 10 18.146 1.582 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.726 2.911 -4.035 1.00 0.00 H new ATOM 103 N SER A 11 18.923 -1.376 -6.573 1.00 0.00 N ATOM 104 CA SER A 11 18.815 -2.354 -7.649 1.00 0.00 C ATOM 105 C SER A 11 17.681 -3.337 -7.378 1.00 0.00 C ATOM 106 O SER A 11 17.917 -4.497 -7.039 1.00 0.00 O ATOM 107 CB SER A 11 20.134 -3.112 -7.812 1.00 0.00 C ATOM 108 OG SER A 11 19.998 -4.180 -8.733 1.00 0.00 O ATOM 0 H SER A 11 19.376 -1.726 -5.729 1.00 0.00 H new ATOM 0 HA SER A 11 18.595 -1.818 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 11 20.910 -2.428 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 11 20.456 -3.500 -6.846 1.00 0.00 H new ATOM 0 HG SER A 11 20.855 -4.648 -8.821 1.00 0.00 H new ATOM 114 N ALA A 12 16.448 -2.865 -7.530 1.00 0.00 N ATOM 115 CA ALA A 12 15.276 -3.702 -7.304 1.00 0.00 C ATOM 116 C ALA A 12 14.651 -4.139 -8.624 1.00 0.00 C ATOM 117 O ALA A 12 14.012 -3.344 -9.315 1.00 0.00 O ATOM 118 CB ALA A 12 14.255 -2.961 -6.453 1.00 0.00 C ATOM 0 H ALA A 12 16.235 -1.907 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 12 15.596 -4.597 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.385 -3.598 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.700 -2.705 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.948 -2.049 -6.965 1.00 0.00 H new ATOM 124 N THR A 13 14.838 -5.409 -8.971 1.00 0.00 N ATOM 125 CA THR A 13 14.294 -5.951 -10.209 1.00 0.00 C ATOM 126 C THR A 13 12.972 -6.668 -9.961 1.00 0.00 C ATOM 127 O THR A 13 12.894 -7.579 -9.137 1.00 0.00 O ATOM 128 CB THR A 13 15.280 -6.931 -10.874 1.00 0.00 C ATOM 129 OG1 THR A 13 15.934 -7.721 -9.875 1.00 0.00 O ATOM 130 CG2 THR A 13 16.318 -6.181 -11.695 1.00 0.00 C ATOM 0 H THR A 13 15.363 -6.081 -8.411 1.00 0.00 H new ATOM 0 HA THR A 13 14.126 -5.106 -10.877 1.00 0.00 H new ATOM 0 HB THR A 13 14.716 -7.583 -11.540 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.558 -8.342 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.003 -6.894 -12.155 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.819 -5.604 -12.473 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.877 -5.507 -11.046 1.00 0.00 H new ATOM 138 N SER A 14 11.935 -6.252 -10.680 1.00 0.00 N ATOM 139 CA SER A 14 10.614 -6.852 -10.535 1.00 0.00 C ATOM 140 C SER A 14 10.070 -6.636 -9.126 1.00 0.00 C ATOM 141 O SER A 14 10.810 -6.355 -8.184 1.00 0.00 O ATOM 142 CB SER A 14 10.674 -8.349 -10.847 1.00 0.00 C ATOM 143 OG SER A 14 11.857 -8.675 -11.556 1.00 0.00 O ATOM 0 H SER A 14 11.984 -5.502 -11.369 1.00 0.00 H new ATOM 0 HA SER A 14 9.942 -6.367 -11.243 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.634 -8.919 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.803 -8.636 -11.436 1.00 0.00 H new ATOM 0 HG SER A 14 11.872 -9.637 -11.742 1.00 0.00 H new ATOM 149 N PRO A 15 8.744 -6.772 -8.978 1.00 0.00 N ATOM 150 CA PRO A 15 8.070 -6.596 -7.688 1.00 0.00 C ATOM 151 C PRO A 15 8.393 -7.719 -6.708 1.00 0.00 C ATOM 152 O PRO A 15 8.141 -8.890 -6.987 1.00 0.00 O ATOM 153 CB PRO A 15 6.585 -6.620 -8.058 1.00 0.00 C ATOM 154 CG PRO A 15 6.522 -7.403 -9.323 1.00 0.00 C ATOM 155 CD PRO A 15 7.800 -7.106 -10.057 1.00 0.00 C ATOM 0 HA PRO A 15 8.383 -5.681 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.989 -7.087 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.195 -5.612 -8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.429 -8.469 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.655 -7.116 -9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.139 -7.965 -10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.679 -6.278 -10.756 1.00 0.00 H new ATOM 163 N ASN A 16 8.951 -7.353 -5.558 1.00 0.00 N ATOM 164 CA ASN A 16 9.308 -8.330 -4.537 1.00 0.00 C ATOM 165 C ASN A 16 8.094 -8.700 -3.690 1.00 0.00 C ATOM 166 O ASN A 16 7.451 -7.835 -3.094 1.00 0.00 O ATOM 167 CB ASN A 16 10.420 -7.780 -3.642 1.00 0.00 C ATOM 168 CG ASN A 16 11.727 -7.599 -4.389 1.00 0.00 C ATOM 169 OD1 ASN A 16 12.078 -8.404 -5.252 1.00 0.00 O ATOM 170 ND2 ASN A 16 12.455 -6.538 -4.059 1.00 0.00 N ATOM 0 H ASN A 16 9.165 -6.387 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 16 9.666 -9.229 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.107 -6.823 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.575 -8.457 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.344 -6.364 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.125 -5.897 -3.337 1.00 0.00 H new ATOM 177 N LYS A 17 7.786 -9.992 -3.639 1.00 0.00 N ATOM 178 CA LYS A 17 6.651 -10.478 -2.864 1.00 0.00 C ATOM 179 C LYS A 17 7.080 -10.854 -1.449 1.00 0.00 C ATOM 180 O LYS A 17 8.027 -11.617 -1.259 1.00 0.00 O ATOM 181 CB LYS A 17 6.017 -11.688 -3.554 1.00 0.00 C ATOM 182 CG LYS A 17 4.617 -12.006 -3.058 1.00 0.00 C ATOM 183 CD LYS A 17 4.651 -12.887 -1.820 1.00 0.00 C ATOM 184 CE LYS A 17 3.261 -13.379 -1.449 1.00 0.00 C ATOM 185 NZ LYS A 17 3.246 -14.045 -0.116 1.00 0.00 N ATOM 0 H LYS A 17 8.307 -10.721 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 17 5.915 -9.676 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.980 -11.505 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.654 -12.559 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.091 -11.079 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.055 -12.507 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.305 -13.741 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.075 -12.328 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.568 -12.538 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.908 -14.077 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.281 -14.366 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.888 -14.863 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.558 -13.371 0.612 1.00 0.00 H new ATOM 199 N CYS A 18 6.376 -10.314 -0.460 1.00 0.00 N ATOM 200 CA CYS A 18 6.683 -10.593 0.938 1.00 0.00 C ATOM 201 C CYS A 18 5.486 -11.223 1.643 1.00 0.00 C ATOM 202 O CYS A 18 4.350 -11.105 1.184 1.00 0.00 O ATOM 203 CB CYS A 18 7.097 -9.308 1.658 1.00 0.00 C ATOM 204 SG CYS A 18 5.810 -8.039 1.698 1.00 0.00 S ATOM 0 H CYS A 18 5.589 -9.681 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 18 7.512 -11.300 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.383 -9.553 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.981 -8.899 1.169 1.00 0.00 H new ATOM 0 HG CYS A 18 6.252 -6.992 2.329 1.00 0.00 H new ATOM 210 N LYS A 19 5.749 -11.893 2.760 1.00 0.00 N ATOM 211 CA LYS A 19 4.694 -12.542 3.529 1.00 0.00 C ATOM 212 C LYS A 19 4.599 -11.949 4.931 1.00 0.00 C ATOM 213 O LYS A 19 5.459 -12.192 5.778 1.00 0.00 O ATOM 214 CB LYS A 19 4.953 -14.048 3.618 1.00 0.00 C ATOM 215 CG LYS A 19 3.860 -14.811 4.347 1.00 0.00 C ATOM 216 CD LYS A 19 4.412 -16.039 5.051 1.00 0.00 C ATOM 217 CE LYS A 19 3.618 -16.367 6.305 1.00 0.00 C ATOM 218 NZ LYS A 19 3.993 -15.486 7.445 1.00 0.00 N ATOM 0 H LYS A 19 6.684 -12.001 3.153 1.00 0.00 H new ATOM 0 HA LYS A 19 3.747 -12.371 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.056 -14.451 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.903 -14.216 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.382 -14.156 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.090 -15.113 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.388 -16.891 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.456 -15.870 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.553 -16.260 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.787 -17.408 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.430 -15.741 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.004 -15.606 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.808 -14.494 7.193 1.00 0.00 H new ATOM 232 N ARG A 20 3.549 -11.170 5.169 1.00 0.00 N ATOM 233 CA ARG A 20 3.342 -10.542 6.469 1.00 0.00 C ATOM 234 C ARG A 20 2.037 -9.751 6.489 1.00 0.00 C ATOM 235 O ARG A 20 1.512 -9.346 5.451 1.00 0.00 O ATOM 236 CB ARG A 20 4.515 -9.620 6.806 1.00 0.00 C ATOM 237 CG ARG A 20 4.998 -8.793 5.626 1.00 0.00 C ATOM 238 CD ARG A 20 6.182 -7.918 6.007 1.00 0.00 C ATOM 239 NE ARG A 20 6.333 -6.779 5.106 1.00 0.00 N ATOM 240 CZ ARG A 20 7.239 -5.822 5.277 1.00 0.00 C ATOM 241 NH1 ARG A 20 8.070 -5.867 6.309 1.00 0.00 N ATOM 242 NH2 ARG A 20 7.314 -4.817 4.414 1.00 0.00 N ATOM 0 H ARG A 20 2.828 -10.958 4.479 1.00 0.00 H new ATOM 0 HA ARG A 20 3.281 -11.330 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.219 -8.949 7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.343 -10.222 7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.282 -9.455 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.184 -8.167 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.053 -7.558 7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.094 -8.515 5.992 1.00 0.00 H new ATOM 0 HE ARG A 20 5.709 -6.714 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.015 -6.638 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.764 -5.131 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.676 -4.779 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.010 -4.083 4.546 1.00 0.00 H new ATOM 256 N PRO A 21 1.500 -9.525 7.697 1.00 0.00 N ATOM 257 CA PRO A 21 0.251 -8.781 7.881 1.00 0.00 C ATOM 258 C PRO A 21 0.407 -7.298 7.565 1.00 0.00 C ATOM 259 O PRO A 21 1.320 -6.640 8.064 1.00 0.00 O ATOM 260 CB PRO A 21 -0.065 -8.981 9.366 1.00 0.00 C ATOM 261 CG PRO A 21 1.256 -9.242 10.002 1.00 0.00 C ATOM 262 CD PRO A 21 2.072 -9.978 8.976 1.00 0.00 C ATOM 0 HA PRO A 21 -0.535 -9.132 7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.542 -8.098 9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.749 -9.816 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.741 -8.310 10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.142 -9.836 10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.131 -9.731 9.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.987 -11.058 9.094 1.00 0.00 H new ATOM 270 N MET A 22 -0.489 -6.777 6.733 1.00 0.00 N ATOM 271 CA MET A 22 -0.450 -5.370 6.352 1.00 0.00 C ATOM 272 C MET A 22 -1.689 -4.636 6.857 1.00 0.00 C ATOM 273 O MET A 22 -2.773 -4.767 6.290 1.00 0.00 O ATOM 274 CB MET A 22 -0.346 -5.234 4.832 1.00 0.00 C ATOM 275 CG MET A 22 -1.316 -6.126 4.074 1.00 0.00 C ATOM 276 SD MET A 22 -1.053 -6.081 2.291 1.00 0.00 S ATOM 277 CE MET A 22 -1.002 -4.314 2.001 1.00 0.00 C ATOM 0 H MET A 22 -1.250 -7.308 6.310 1.00 0.00 H new ATOM 0 HA MET A 22 0.430 -4.919 6.811 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.528 -4.196 4.555 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.672 -5.473 4.523 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.212 -7.152 4.427 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.337 -5.815 4.295 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.131 -4.116 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.803 -3.830 2.560 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.041 -3.919 2.330 1.00 0.00 H new ATOM 287 N ASN A 23 -1.519 -3.863 7.925 1.00 0.00 N ATOM 288 CA ASN A 23 -2.624 -3.109 8.506 1.00 0.00 C ATOM 289 C ASN A 23 -3.202 -2.124 7.494 1.00 0.00 C ATOM 290 O ASN A 23 -2.796 -2.102 6.333 1.00 0.00 O ATOM 291 CB ASN A 23 -2.156 -2.359 9.755 1.00 0.00 C ATOM 292 CG ASN A 23 -1.292 -3.220 10.657 1.00 0.00 C ATOM 293 OD1 ASN A 23 -1.645 -4.357 10.970 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.155 -2.680 11.079 1.00 0.00 N ATOM 0 H ASN A 23 -0.627 -3.742 8.405 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.406 -3.815 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.594 -1.474 9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.025 -2.011 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.467 -3.211 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.097 -1.734 10.794 1.00 0.00 H new ATOM 301 N ALA A 24 -4.151 -1.311 7.945 1.00 0.00 N ATOM 302 CA ALA A 24 -4.783 -0.322 7.080 1.00 0.00 C ATOM 303 C ALA A 24 -3.804 0.785 6.705 1.00 0.00 C ATOM 304 O ALA A 24 -3.753 1.219 5.554 1.00 0.00 O ATOM 305 CB ALA A 24 -6.012 0.265 7.759 1.00 0.00 C ATOM 0 H ALA A 24 -4.499 -1.317 8.904 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.093 -0.823 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.474 1.002 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.726 -0.531 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.718 0.745 8.692 1.00 0.00 H new ATOM 311 N PHE A 25 -3.028 1.239 7.685 1.00 0.00 N ATOM 312 CA PHE A 25 -2.052 2.298 7.458 1.00 0.00 C ATOM 313 C PHE A 25 -1.085 1.916 6.340 1.00 0.00 C ATOM 314 O PHE A 25 -0.780 2.726 5.466 1.00 0.00 O ATOM 315 CB PHE A 25 -1.274 2.588 8.743 1.00 0.00 C ATOM 316 CG PHE A 25 -0.305 3.728 8.614 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.753 5.003 8.306 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.053 3.526 8.800 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.136 6.054 8.186 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.947 4.573 8.682 1.00 0.00 C ATOM 321 CZ PHE A 25 1.488 5.839 8.375 1.00 0.00 C ATOM 0 H PHE A 25 -3.057 0.890 8.643 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.591 3.196 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.980 2.811 9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.730 1.691 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.809 5.177 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.417 2.538 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.225 7.043 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.003 4.402 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.184 6.659 8.283 1.00 0.00 H new ATOM 331 N MET A 26 -0.608 0.677 6.377 1.00 0.00 N ATOM 332 CA MET A 26 0.324 0.186 5.368 1.00 0.00 C ATOM 333 C MET A 26 -0.218 0.433 3.963 1.00 0.00 C ATOM 334 O MET A 26 0.518 0.850 3.068 1.00 0.00 O ATOM 335 CB MET A 26 0.589 -1.307 5.570 1.00 0.00 C ATOM 336 CG MET A 26 1.414 -1.615 6.809 1.00 0.00 C ATOM 337 SD MET A 26 2.505 -3.032 6.581 1.00 0.00 S ATOM 338 CE MET A 26 4.040 -2.387 7.242 1.00 0.00 C ATOM 0 H MET A 26 -0.851 -0.006 7.095 1.00 0.00 H new ATOM 0 HA MET A 26 1.261 0.731 5.479 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.364 -1.831 5.639 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.105 -1.698 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.010 -0.741 7.071 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.745 -1.807 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.816 -3.150 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.341 -1.509 6.671 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.898 -2.110 8.287 1.00 0.00 H new ATOM 348 N LEU A 27 -1.507 0.174 3.777 1.00 0.00 N ATOM 349 CA LEU A 27 -2.147 0.367 2.481 1.00 0.00 C ATOM 350 C LEU A 27 -2.212 1.848 2.121 1.00 0.00 C ATOM 351 O LEU A 27 -2.172 2.216 0.947 1.00 0.00 O ATOM 352 CB LEU A 27 -3.556 -0.229 2.491 1.00 0.00 C ATOM 353 CG LEU A 27 -4.194 -0.466 1.122 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.387 -1.479 0.325 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.634 -0.933 1.279 1.00 0.00 C ATOM 0 H LEU A 27 -2.130 -0.170 4.508 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.548 -0.146 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.523 -1.179 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.205 0.434 3.062 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.196 0.477 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.856 -1.635 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.373 -1.105 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.352 -2.424 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.073 -1.097 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.655 -1.864 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.207 -0.173 1.810 1.00 0.00 H new ATOM 367 N PHE A 28 -2.311 2.695 3.141 1.00 0.00 N ATOM 368 CA PHE A 28 -2.380 4.137 2.933 1.00 0.00 C ATOM 369 C PHE A 28 -1.022 4.692 2.513 1.00 0.00 C ATOM 370 O PHE A 28 -0.874 5.237 1.419 1.00 0.00 O ATOM 371 CB PHE A 28 -2.856 4.835 4.208 1.00 0.00 C ATOM 372 CG PHE A 28 -2.688 6.328 4.174 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.513 6.916 4.615 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.703 7.142 3.698 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.356 8.288 4.585 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.551 8.515 3.665 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.376 9.089 4.108 1.00 0.00 C ATOM 0 H PHE A 28 -2.345 2.408 4.119 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.095 4.329 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.908 4.600 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.305 4.435 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.711 6.295 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.624 6.698 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.437 8.734 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.351 9.139 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.254 10.162 4.082 1.00 0.00 H new ATOM 387 N ALA A 29 -0.034 4.549 3.390 1.00 0.00 N ATOM 388 CA ALA A 29 1.312 5.034 3.110 1.00 0.00 C ATOM 389 C ALA A 29 1.830 4.483 1.786 1.00 0.00 C ATOM 390 O ALA A 29 2.544 5.168 1.053 1.00 0.00 O ATOM 391 CB ALA A 29 2.254 4.659 4.244 1.00 0.00 C ATOM 0 H ALA A 29 -0.140 4.101 4.300 1.00 0.00 H new ATOM 0 HA ALA A 29 1.271 6.120 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.256 5.027 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.901 5.106 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.282 3.575 4.351 1.00 0.00 H new ATOM 397 N LYS A 30 1.466 3.241 1.484 1.00 0.00 N ATOM 398 CA LYS A 30 1.893 2.597 0.248 1.00 0.00 C ATOM 399 C LYS A 30 1.205 3.227 -0.959 1.00 0.00 C ATOM 400 O LYS A 30 1.863 3.729 -1.870 1.00 0.00 O ATOM 401 CB LYS A 30 1.588 1.098 0.298 1.00 0.00 C ATOM 402 CG LYS A 30 1.829 0.384 -1.021 1.00 0.00 C ATOM 403 CD LYS A 30 1.575 -1.109 -0.902 1.00 0.00 C ATOM 404 CE LYS A 30 1.081 -1.697 -2.214 1.00 0.00 C ATOM 405 NZ LYS A 30 -0.221 -1.108 -2.631 1.00 0.00 N ATOM 0 H LYS A 30 0.876 2.660 2.079 1.00 0.00 H new ATOM 0 HA LYS A 30 2.969 2.739 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.204 0.636 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.548 0.957 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.178 0.805 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.855 0.555 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.493 -1.612 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.838 -1.293 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.824 -1.523 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.974 -2.777 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.747 -1.798 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.778 -0.863 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.050 -0.250 -3.193 1.00 0.00 H new ATOM 419 N LYS A 31 -0.123 3.197 -0.959 1.00 0.00 N ATOM 420 CA LYS A 31 -0.902 3.767 -2.053 1.00 0.00 C ATOM 421 C LYS A 31 -0.576 5.245 -2.239 1.00 0.00 C ATOM 422 O LYS A 31 -0.721 5.790 -3.334 1.00 0.00 O ATOM 423 CB LYS A 31 -2.398 3.593 -1.785 1.00 0.00 C ATOM 424 CG LYS A 31 -3.251 3.645 -3.041 1.00 0.00 C ATOM 425 CD LYS A 31 -4.725 3.464 -2.723 1.00 0.00 C ATOM 426 CE LYS A 31 -5.408 4.799 -2.466 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.877 4.725 -2.701 1.00 0.00 N ATOM 0 H LYS A 31 -0.683 2.784 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.640 3.237 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.560 2.638 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.729 4.373 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.101 4.600 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.929 2.867 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.217 2.956 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.833 2.824 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.220 5.111 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.974 5.560 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.306 5.654 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.057 4.452 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.295 4.017 -2.064 1.00 0.00 H new ATOM 441 N TYR A 32 -0.135 5.889 -1.164 1.00 0.00 N ATOM 442 CA TYR A 32 0.211 7.305 -1.210 1.00 0.00 C ATOM 443 C TYR A 32 1.724 7.496 -1.238 1.00 0.00 C ATOM 444 O TYR A 32 2.222 8.615 -1.112 1.00 0.00 O ATOM 445 CB TYR A 32 -0.385 8.036 -0.005 1.00 0.00 C ATOM 446 CG TYR A 32 -1.837 8.415 -0.184 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.786 7.464 -0.537 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.261 9.726 0.000 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.114 7.806 -0.703 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.587 10.077 -0.162 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.510 9.114 -0.514 1.00 0.00 C ATOM 452 OH TYR A 32 -5.832 9.459 -0.676 1.00 0.00 O ATOM 0 H TYR A 32 -0.009 5.453 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.206 7.726 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.290 7.403 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.196 8.938 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.480 6.439 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.541 10.483 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.838 7.054 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.900 11.100 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.943 10.418 -0.505 1.00 0.00 H new ATOM 462 N ARG A 33 2.450 6.395 -1.404 1.00 0.00 N ATOM 463 CA ARG A 33 3.906 6.440 -1.448 1.00 0.00 C ATOM 464 C ARG A 33 4.390 7.148 -2.711 1.00 0.00 C ATOM 465 O ARG A 33 4.896 8.269 -2.651 1.00 0.00 O ATOM 466 CB ARG A 33 4.483 5.024 -1.392 1.00 0.00 C ATOM 467 CG ARG A 33 6.002 4.987 -1.355 1.00 0.00 C ATOM 468 CD ARG A 33 6.511 3.821 -0.521 1.00 0.00 C ATOM 469 NE ARG A 33 7.824 3.363 -0.964 1.00 0.00 N ATOM 470 CZ ARG A 33 8.037 2.757 -2.127 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.028 2.537 -2.959 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.262 2.369 -2.460 1.00 0.00 N ATOM 0 H ARG A 33 2.053 5.461 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 33 4.254 7.002 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.094 4.517 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.135 4.464 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.390 4.906 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.380 5.923 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.566 4.121 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.801 2.996 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 33 8.622 3.517 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.085 2.833 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.195 2.072 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.041 2.536 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.425 1.904 -3.353 1.00 0.00 H new ATOM 486 N VAL A 34 4.233 6.485 -3.852 1.00 0.00 N ATOM 487 CA VAL A 34 4.654 7.050 -5.129 1.00 0.00 C ATOM 488 C VAL A 34 4.026 8.421 -5.356 1.00 0.00 C ATOM 489 O VAL A 34 4.613 9.282 -6.011 1.00 0.00 O ATOM 490 CB VAL A 34 4.280 6.125 -6.302 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.769 6.039 -6.454 1.00 0.00 C ATOM 492 CG2 VAL A 34 4.926 6.612 -7.590 1.00 0.00 C ATOM 0 H VAL A 34 3.817 5.556 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 34 5.738 7.152 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 34 4.657 5.125 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.524 5.381 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.333 5.641 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.365 7.033 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.651 5.947 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.580 7.622 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.010 6.617 -7.474 1.00 0.00 H new ATOM 502 N GLU A 35 2.829 8.616 -4.810 1.00 0.00 N ATOM 503 CA GLU A 35 2.122 9.883 -4.955 1.00 0.00 C ATOM 504 C GLU A 35 2.895 11.016 -4.286 1.00 0.00 C ATOM 505 O GLU A 35 2.863 12.159 -4.745 1.00 0.00 O ATOM 506 CB GLU A 35 0.720 9.781 -4.350 1.00 0.00 C ATOM 507 CG GLU A 35 -0.021 8.513 -4.741 1.00 0.00 C ATOM 508 CD GLU A 35 0.069 8.219 -6.225 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.168 9.180 -7.016 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.039 7.026 -6.596 1.00 0.00 O ATOM 0 H GLU A 35 2.330 7.914 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 35 2.036 10.103 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.798 9.826 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.134 10.645 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.388 7.671 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.069 8.606 -4.456 1.00 0.00 H new ATOM 517 N TYR A 36 3.587 10.692 -3.200 1.00 0.00 N ATOM 518 CA TYR A 36 4.366 11.683 -2.467 1.00 0.00 C ATOM 519 C TYR A 36 5.822 11.677 -2.921 1.00 0.00 C ATOM 520 O TYR A 36 6.519 12.689 -2.830 1.00 0.00 O ATOM 521 CB TYR A 36 4.288 11.411 -0.963 1.00 0.00 C ATOM 522 CG TYR A 36 3.034 11.951 -0.314 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.777 11.615 -0.802 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.106 12.795 0.787 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.628 12.106 -0.212 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.962 13.290 1.384 1.00 0.00 C ATOM 527 CZ TYR A 36 0.726 12.943 0.880 1.00 0.00 C ATOM 528 OH TYR A 36 -0.416 13.433 1.471 1.00 0.00 O ATOM 0 H TYR A 36 3.625 9.751 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 36 3.944 12.666 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.340 10.336 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.158 11.853 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.697 10.959 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.073 13.069 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.342 11.836 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.035 13.945 2.240 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.278 14.370 1.722 1.00 0.00 H new ATOM 538 N THR A 37 6.277 10.529 -3.414 1.00 0.00 N ATOM 539 CA THR A 37 7.650 10.389 -3.883 1.00 0.00 C ATOM 540 C THR A 37 7.933 11.336 -5.044 1.00 0.00 C ATOM 541 O THR A 37 9.049 11.834 -5.191 1.00 0.00 O ATOM 542 CB THR A 37 7.947 8.945 -4.329 1.00 0.00 C ATOM 543 OG1 THR A 37 7.373 8.018 -3.401 1.00 0.00 O ATOM 544 CG2 THR A 37 9.446 8.707 -4.431 1.00 0.00 C ATOM 0 H THR A 37 5.714 9.683 -3.499 1.00 0.00 H new ATOM 0 HA THR A 37 8.298 10.643 -3.044 1.00 0.00 H new ATOM 0 HB THR A 37 7.504 8.794 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.407 8.172 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.631 7.680 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.875 9.394 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.908 8.875 -3.458 1.00 0.00 H new ATOM 552 N GLN A 38 6.916 11.580 -5.864 1.00 0.00 N ATOM 553 CA GLN A 38 7.058 12.468 -7.012 1.00 0.00 C ATOM 554 C GLN A 38 6.595 13.880 -6.668 1.00 0.00 C ATOM 555 O GLN A 38 7.072 14.857 -7.244 1.00 0.00 O ATOM 556 CB GLN A 38 6.258 11.932 -8.200 1.00 0.00 C ATOM 557 CG GLN A 38 6.657 10.525 -8.617 1.00 0.00 C ATOM 558 CD GLN A 38 6.408 10.260 -10.089 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.899 10.986 -10.954 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.643 9.216 -10.382 1.00 0.00 N ATOM 0 H GLN A 38 5.986 11.176 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 38 8.113 12.506 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.198 11.940 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.388 12.604 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.714 10.371 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.099 9.802 -8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.257 8.641 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.442 8.989 -11.356 1.00 0.00 H new ATOM 569 N MET A 39 5.662 13.979 -5.727 1.00 0.00 N ATOM 570 CA MET A 39 5.136 15.272 -5.306 1.00 0.00 C ATOM 571 C MET A 39 6.157 16.026 -4.460 1.00 0.00 C ATOM 572 O MET A 39 6.267 17.249 -4.546 1.00 0.00 O ATOM 573 CB MET A 39 3.839 15.086 -4.516 1.00 0.00 C ATOM 574 CG MET A 39 2.588 15.144 -5.379 1.00 0.00 C ATOM 575 SD MET A 39 1.124 15.635 -4.448 1.00 0.00 S ATOM 576 CE MET A 39 0.717 14.099 -3.621 1.00 0.00 C ATOM 0 H MET A 39 5.255 13.180 -5.242 1.00 0.00 H new ATOM 0 HA MET A 39 4.928 15.860 -6.200 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.871 14.126 -4.001 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.777 15.857 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.747 15.848 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.416 14.166 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.170 14.242 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.522 13.326 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.552 13.793 -2.990 1.00 0.00 H new ATOM 586 N TYR A 40 6.900 15.288 -3.642 1.00 0.00 N ATOM 587 CA TYR A 40 7.910 15.887 -2.778 1.00 0.00 C ATOM 588 C TYR A 40 9.276 15.252 -3.015 1.00 0.00 C ATOM 589 O TYR A 40 9.806 14.525 -2.175 1.00 0.00 O ATOM 590 CB TYR A 40 7.511 15.733 -1.309 1.00 0.00 C ATOM 591 CG TYR A 40 6.182 16.370 -0.972 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.986 15.742 -1.299 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.122 17.599 -0.328 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.769 16.320 -0.993 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.910 18.184 -0.017 1.00 0.00 C ATOM 596 CZ TYR A 40 3.736 17.541 -0.352 1.00 0.00 C ATOM 597 OH TYR A 40 2.527 18.121 -0.046 1.00 0.00 O ATOM 0 H TYR A 40 6.822 14.274 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 40 7.976 16.948 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.469 14.672 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.286 16.175 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.008 14.786 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.039 18.106 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.849 15.819 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.881 19.139 0.486 1.00 0.00 H new ATOM 0 HH TYR A 40 2.680 18.978 0.405 1.00 0.00 H new ATOM 607 N PRO A 41 9.862 15.533 -4.189 1.00 0.00 N ATOM 608 CA PRO A 41 11.175 15.001 -4.565 1.00 0.00 C ATOM 609 C PRO A 41 12.306 15.611 -3.743 1.00 0.00 C ATOM 610 O PRO A 41 13.366 15.008 -3.584 1.00 0.00 O ATOM 611 CB PRO A 41 11.310 15.399 -6.037 1.00 0.00 C ATOM 612 CG PRO A 41 10.436 16.596 -6.188 1.00 0.00 C ATOM 613 CD PRO A 41 9.289 16.393 -5.238 1.00 0.00 C ATOM 0 HA PRO A 41 11.244 13.927 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.345 15.630 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.992 14.591 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.981 17.510 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.081 16.693 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.932 17.339 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.440 15.917 -5.729 1.00 0.00 H new ATOM 621 N GLY A 42 12.071 16.812 -3.222 1.00 0.00 N ATOM 622 CA GLY A 42 13.079 17.483 -2.422 1.00 0.00 C ATOM 623 C GLY A 42 13.176 16.918 -1.018 1.00 0.00 C ATOM 624 O GLY A 42 14.212 17.035 -0.364 1.00 0.00 O ATOM 0 H GLY A 42 11.201 17.332 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.048 17.394 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.846 18.546 -2.367 1.00 0.00 H new ATOM 628 N LYS A 43 12.093 16.305 -0.553 1.00 0.00 N ATOM 629 CA LYS A 43 12.058 15.720 0.783 1.00 0.00 C ATOM 630 C LYS A 43 12.593 14.292 0.765 1.00 0.00 C ATOM 631 O LYS A 43 12.624 13.644 -0.282 1.00 0.00 O ATOM 632 CB LYS A 43 10.630 15.735 1.331 1.00 0.00 C ATOM 633 CG LYS A 43 10.130 17.123 1.690 1.00 0.00 C ATOM 634 CD LYS A 43 8.726 17.078 2.269 1.00 0.00 C ATOM 635 CE LYS A 43 8.091 18.460 2.300 1.00 0.00 C ATOM 636 NZ LYS A 43 8.542 19.251 3.479 1.00 0.00 N ATOM 0 H LYS A 43 11.227 16.200 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 43 12.696 16.320 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.961 15.298 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.583 15.101 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.808 17.579 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.138 17.755 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.108 16.406 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.761 16.670 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.343 18.996 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.006 18.361 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.087 20.186 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.279 18.752 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.575 19.368 3.444 1.00 0.00 H new ATOM 650 N ASP A 44 13.011 13.807 1.929 1.00 0.00 N ATOM 651 CA ASP A 44 13.542 12.454 2.047 1.00 0.00 C ATOM 652 C ASP A 44 12.439 11.468 2.420 1.00 0.00 C ATOM 653 O ASP A 44 11.392 11.859 2.933 1.00 0.00 O ATOM 654 CB ASP A 44 14.657 12.411 3.093 1.00 0.00 C ATOM 655 CG ASP A 44 15.853 13.255 2.700 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.541 12.891 1.722 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.102 14.279 3.369 1.00 0.00 O ATOM 0 H ASP A 44 12.992 14.331 2.804 1.00 0.00 H new ATOM 0 HA ASP A 44 13.951 12.164 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.268 12.761 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.976 11.379 3.237 1.00 0.00 H new ATOM 662 N ASN A 45 12.683 10.188 2.156 1.00 0.00 N ATOM 663 CA ASN A 45 11.710 9.146 2.463 1.00 0.00 C ATOM 664 C ASN A 45 11.285 9.212 3.927 1.00 0.00 C ATOM 665 O ASN A 45 10.167 8.832 4.277 1.00 0.00 O ATOM 666 CB ASN A 45 12.293 7.767 2.151 1.00 0.00 C ATOM 667 CG ASN A 45 13.740 7.639 2.587 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.660 7.952 1.683 1.00 0.00 O flip ATOM 669 ND2 ASN A 45 14.026 7.263 3.724 1.00 0.00 N flip ATOM 0 H ASN A 45 13.545 9.848 1.731 1.00 0.00 H new ATOM 0 HA ASN A 45 10.830 9.310 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.697 7.002 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.221 7.579 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.285 7.033 4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.004 7.182 4.003 1.00 0.00 H new ATOM 676 N ARG A 46 12.184 9.697 4.777 1.00 0.00 N ATOM 677 CA ARG A 46 11.903 9.812 6.203 1.00 0.00 C ATOM 678 C ARG A 46 10.808 10.844 6.460 1.00 0.00 C ATOM 679 O ARG A 46 10.030 10.715 7.404 1.00 0.00 O ATOM 680 CB ARG A 46 13.172 10.198 6.965 1.00 0.00 C ATOM 681 CG ARG A 46 12.985 10.250 8.472 1.00 0.00 C ATOM 682 CD ARG A 46 13.249 8.896 9.113 1.00 0.00 C ATOM 683 NE ARG A 46 12.575 8.760 10.402 1.00 0.00 N ATOM 684 CZ ARG A 46 12.912 7.857 11.315 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.909 7.014 11.083 1.00 0.00 N ATOM 686 NH2 ARG A 46 12.252 7.795 12.464 1.00 0.00 N ATOM 0 H ARG A 46 13.113 10.017 4.503 1.00 0.00 H new ATOM 0 HA ARG A 46 11.555 8.842 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.959 9.482 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.513 11.173 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.659 10.993 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.969 10.571 8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.912 8.106 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.322 8.762 9.249 1.00 0.00 H new ATOM 0 HE ARG A 46 11.803 9.393 10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.419 7.058 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.165 6.321 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.485 8.442 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.512 7.101 13.165 1.00 0.00 H new ATOM 700 N ALA A 47 10.757 11.867 5.613 1.00 0.00 N ATOM 701 CA ALA A 47 9.757 12.920 5.747 1.00 0.00 C ATOM 702 C ALA A 47 8.425 12.493 5.140 1.00 0.00 C ATOM 703 O ALA A 47 7.360 12.840 5.652 1.00 0.00 O ATOM 704 CB ALA A 47 10.251 14.202 5.093 1.00 0.00 C ATOM 0 H ALA A 47 11.396 11.989 4.827 1.00 0.00 H new ATOM 0 HA ALA A 47 9.599 13.104 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.495 14.980 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.174 14.524 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.438 14.022 4.034 1.00 0.00 H new ATOM 710 N ILE A 48 8.492 11.740 4.048 1.00 0.00 N ATOM 711 CA ILE A 48 7.291 11.266 3.372 1.00 0.00 C ATOM 712 C ILE A 48 6.346 10.576 4.350 1.00 0.00 C ATOM 713 O ILE A 48 5.158 10.891 4.409 1.00 0.00 O ATOM 714 CB ILE A 48 7.634 10.290 2.231 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.562 10.962 1.217 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.363 9.801 1.552 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.936 12.150 0.521 1.00 0.00 C ATOM 0 H ILE A 48 9.366 11.445 3.612 1.00 0.00 H new ATOM 0 HA ILE A 48 6.799 12.143 2.952 1.00 0.00 H new ATOM 0 HB ILE A 48 8.151 9.428 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.470 11.286 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.861 10.228 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.622 9.112 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.735 9.288 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.820 10.652 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.650 12.577 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.044 11.828 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.662 12.902 1.261 1.00 0.00 H new ATOM 729 N SER A 49 6.884 9.633 5.118 1.00 0.00 N ATOM 730 CA SER A 49 6.089 8.896 6.093 1.00 0.00 C ATOM 731 C SER A 49 5.479 9.842 7.123 1.00 0.00 C ATOM 732 O SER A 49 4.287 9.769 7.421 1.00 0.00 O ATOM 733 CB SER A 49 6.951 7.845 6.796 1.00 0.00 C ATOM 734 OG SER A 49 8.310 8.245 6.837 1.00 0.00 O ATOM 0 H SER A 49 7.867 9.362 5.084 1.00 0.00 H new ATOM 0 HA SER A 49 5.280 8.395 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.584 7.688 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.865 6.892 6.275 1.00 0.00 H new ATOM 0 HG SER A 49 8.370 9.169 7.158 1.00 0.00 H new ATOM 740 N VAL A 50 6.307 10.730 7.665 1.00 0.00 N ATOM 741 CA VAL A 50 5.851 11.692 8.661 1.00 0.00 C ATOM 742 C VAL A 50 4.640 12.471 8.159 1.00 0.00 C ATOM 743 O VAL A 50 3.660 12.649 8.883 1.00 0.00 O ATOM 744 CB VAL A 50 6.967 12.684 9.036 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.470 13.683 10.069 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.191 11.940 9.548 1.00 0.00 C ATOM 0 H VAL A 50 7.297 10.803 7.431 1.00 0.00 H new ATOM 0 HA VAL A 50 5.571 11.122 9.546 1.00 0.00 H new ATOM 0 HB VAL A 50 7.253 13.236 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.273 14.376 10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.626 14.239 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.154 13.151 10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.970 12.657 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.921 11.360 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.560 11.269 8.772 1.00 0.00 H new ATOM 756 N ILE A 51 4.716 12.933 6.916 1.00 0.00 N ATOM 757 CA ILE A 51 3.625 13.692 6.316 1.00 0.00 C ATOM 758 C ILE A 51 2.429 12.795 6.020 1.00 0.00 C ATOM 759 O ILE A 51 1.278 13.228 6.102 1.00 0.00 O ATOM 760 CB ILE A 51 4.070 14.383 5.013 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.251 15.318 5.283 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.909 15.150 4.398 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.979 15.749 4.029 1.00 0.00 C ATOM 0 H ILE A 51 5.521 12.795 6.305 1.00 0.00 H new ATOM 0 HA ILE A 51 3.334 14.453 7.040 1.00 0.00 H new ATOM 0 HB ILE A 51 4.391 13.619 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.891 16.203 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.955 14.818 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.239 15.633 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.095 14.460 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.560 15.907 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.804 16.410 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.370 14.871 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.289 16.277 3.371 1.00 0.00 H new ATOM 775 N LEU A 52 2.706 11.542 5.677 1.00 0.00 N ATOM 776 CA LEU A 52 1.652 10.581 5.371 1.00 0.00 C ATOM 777 C LEU A 52 0.788 10.310 6.598 1.00 0.00 C ATOM 778 O LEU A 52 -0.438 10.383 6.535 1.00 0.00 O ATOM 779 CB LEU A 52 2.260 9.273 4.862 1.00 0.00 C ATOM 780 CG LEU A 52 2.630 9.237 3.379 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.296 7.916 3.026 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.397 9.462 2.516 1.00 0.00 C ATOM 0 H LEU A 52 3.652 11.167 5.604 1.00 0.00 H new ATOM 0 HA LEU A 52 1.020 11.008 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.157 9.061 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.554 8.466 5.059 1.00 0.00 H new ATOM 0 HG LEU A 52 3.339 10.041 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.552 7.909 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.203 7.796 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.611 7.095 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.679 9.433 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.665 8.680 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.963 10.434 2.749 1.00 0.00 H new ATOM 794 N GLY A 53 1.438 10.000 7.716 1.00 0.00 N ATOM 795 CA GLY A 53 0.713 9.725 8.943 1.00 0.00 C ATOM 796 C GLY A 53 -0.270 10.824 9.294 1.00 0.00 C ATOM 797 O GLY A 53 -1.433 10.553 9.594 1.00 0.00 O ATOM 0 H GLY A 53 2.453 9.934 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.177 8.781 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.423 9.602 9.761 1.00 0.00 H new ATOM 801 N ASP A 54 0.198 12.067 9.259 1.00 0.00 N ATOM 802 CA ASP A 54 -0.648 13.211 9.577 1.00 0.00 C ATOM 803 C ASP A 54 -1.937 13.178 8.761 1.00 0.00 C ATOM 804 O ASP A 54 -3.024 13.410 9.290 1.00 0.00 O ATOM 805 CB ASP A 54 0.103 14.517 9.314 1.00 0.00 C ATOM 806 CG ASP A 54 -0.431 15.669 10.142 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.769 15.445 11.323 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.512 16.796 9.608 1.00 0.00 O ATOM 0 H ASP A 54 1.158 12.308 9.014 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.907 13.156 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.161 14.375 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.029 14.769 8.256 1.00 0.00 H new ATOM 813 N ARG A 55 -1.806 12.889 7.471 1.00 0.00 N ATOM 814 CA ARG A 55 -2.960 12.828 6.581 1.00 0.00 C ATOM 815 C ARG A 55 -3.938 11.748 7.033 1.00 0.00 C ATOM 816 O ARG A 55 -5.153 11.911 6.921 1.00 0.00 O ATOM 817 CB ARG A 55 -2.509 12.554 5.145 1.00 0.00 C ATOM 818 CG ARG A 55 -1.956 13.779 4.436 1.00 0.00 C ATOM 819 CD ARG A 55 -2.876 14.235 3.313 1.00 0.00 C ATOM 820 NE ARG A 55 -2.983 15.690 3.250 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.401 16.351 2.177 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.751 15.689 1.082 1.00 0.00 N ATOM 823 NH2 ARG A 55 -3.471 17.676 2.196 1.00 0.00 N ATOM 0 H ARG A 55 -0.913 12.693 7.018 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.467 13.792 6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.746 11.775 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.354 12.166 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.827 14.589 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.970 13.552 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.501 13.858 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.867 13.805 3.459 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.722 16.228 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.699 14.670 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.072 16.199 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.203 18.189 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.792 18.182 1.370 1.00 0.00 H new ATOM 837 N TRP A 56 -3.400 10.646 7.542 1.00 0.00 N ATOM 838 CA TRP A 56 -4.227 9.538 8.011 1.00 0.00 C ATOM 839 C TRP A 56 -5.001 9.929 9.265 1.00 0.00 C ATOM 840 O TRP A 56 -6.061 9.374 9.550 1.00 0.00 O ATOM 841 CB TRP A 56 -3.358 8.312 8.294 1.00 0.00 C ATOM 842 CG TRP A 56 -4.114 7.181 8.924 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.295 6.960 10.260 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.790 6.118 8.244 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.042 5.822 10.451 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.359 5.288 9.230 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.971 5.787 6.899 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.094 4.149 8.910 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.700 4.656 6.583 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.255 3.849 7.585 1.00 0.00 C ATOM 0 H TRP A 56 -2.396 10.495 7.641 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.944 9.294 7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.914 7.967 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.537 8.601 8.950 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.908 7.587 11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.316 5.438 11.355 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.549 6.404 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.522 3.525 9.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.844 4.390 5.546 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.821 2.973 7.306 1.00 0.00 H new ATOM 861 N LYS A 57 -4.464 10.889 10.011 1.00 0.00 N ATOM 862 CA LYS A 57 -5.105 11.356 11.235 1.00 0.00 C ATOM 863 C LYS A 57 -6.132 12.442 10.930 1.00 0.00 C ATOM 864 O LYS A 57 -7.137 12.574 11.629 1.00 0.00 O ATOM 865 CB LYS A 57 -4.056 11.891 12.212 1.00 0.00 C ATOM 866 CG LYS A 57 -3.054 10.842 12.663 1.00 0.00 C ATOM 867 CD LYS A 57 -1.746 11.474 13.107 1.00 0.00 C ATOM 868 CE LYS A 57 -1.877 12.119 14.479 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.560 12.236 15.164 1.00 0.00 N ATOM 0 H LYS A 57 -3.586 11.359 9.789 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.620 10.511 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.520 12.715 11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.561 12.299 13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.477 10.263 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.864 10.145 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.964 10.715 13.134 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.437 12.224 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.321 13.109 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.556 11.529 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.691 12.680 16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.147 11.289 15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.080 12.820 14.589 1.00 0.00 H new ATOM 883 N LYS A 58 -5.874 13.217 9.882 1.00 0.00 N ATOM 884 CA LYS A 58 -6.777 14.290 9.483 1.00 0.00 C ATOM 885 C LYS A 58 -7.966 13.739 8.702 1.00 0.00 C ATOM 886 O LYS A 58 -9.066 14.286 8.761 1.00 0.00 O ATOM 887 CB LYS A 58 -6.031 15.323 8.635 1.00 0.00 C ATOM 888 CG LYS A 58 -5.887 16.675 9.312 1.00 0.00 C ATOM 889 CD LYS A 58 -7.241 17.302 9.599 1.00 0.00 C ATOM 890 CE LYS A 58 -7.096 18.656 10.275 1.00 0.00 C ATOM 891 NZ LYS A 58 -7.240 19.778 9.306 1.00 0.00 N ATOM 0 H LYS A 58 -5.046 13.122 9.293 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.150 14.772 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.040 14.938 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.558 15.454 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.334 16.559 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.304 17.341 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.795 17.417 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.824 16.637 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.848 18.753 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.122 18.717 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.135 20.684 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.507 19.700 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.179 19.735 8.862 1.00 0.00 H new ATOM 905 N MET A 59 -7.736 12.652 7.972 1.00 0.00 N ATOM 906 CA MET A 59 -8.789 12.025 7.182 1.00 0.00 C ATOM 907 C MET A 59 -9.990 11.677 8.056 1.00 0.00 C ATOM 908 O MET A 59 -9.951 11.840 9.276 1.00 0.00 O ATOM 909 CB MET A 59 -8.260 10.765 6.495 1.00 0.00 C ATOM 910 CG MET A 59 -7.708 11.018 5.102 1.00 0.00 C ATOM 911 SD MET A 59 -7.499 9.501 4.151 1.00 0.00 S ATOM 912 CE MET A 59 -6.496 8.532 5.275 1.00 0.00 C ATOM 0 H MET A 59 -6.830 12.187 7.911 1.00 0.00 H new ATOM 0 HA MET A 59 -9.110 12.736 6.421 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.477 10.326 7.113 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.064 10.032 6.431 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.379 11.689 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.747 11.527 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.326 7.543 4.850 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.539 9.030 5.430 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.012 8.433 6.230 1.00 0.00 H new ATOM 922 N LYS A 60 -11.056 11.196 7.425 1.00 0.00 N ATOM 923 CA LYS A 60 -12.268 10.823 8.144 1.00 0.00 C ATOM 924 C LYS A 60 -12.330 9.314 8.360 1.00 0.00 C ATOM 925 O LYS A 60 -11.360 8.602 8.108 1.00 0.00 O ATOM 926 CB LYS A 60 -13.506 11.291 7.376 1.00 0.00 C ATOM 927 CG LYS A 60 -13.400 12.716 6.861 1.00 0.00 C ATOM 928 CD LYS A 60 -14.771 13.338 6.656 1.00 0.00 C ATOM 929 CE LYS A 60 -14.677 14.843 6.460 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.022 15.476 6.372 1.00 0.00 N ATOM 0 H LYS A 60 -11.105 11.055 6.416 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.247 11.311 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.675 10.621 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.378 11.212 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.828 13.318 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.851 12.724 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.250 12.886 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.403 13.121 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.122 15.283 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.115 15.056 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.915 16.502 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.543 15.075 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.549 15.294 7.250 1.00 0.00 H new ATOM 944 N ASN A 61 -13.479 8.835 8.826 1.00 0.00 N ATOM 945 CA ASN A 61 -13.667 7.410 9.074 1.00 0.00 C ATOM 946 C ASN A 61 -13.768 6.638 7.762 1.00 0.00 C ATOM 947 O ASN A 61 -13.088 5.630 7.570 1.00 0.00 O ATOM 948 CB ASN A 61 -14.926 7.179 9.913 1.00 0.00 C ATOM 949 CG ASN A 61 -14.726 7.549 11.370 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.500 8.713 11.702 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.807 6.556 12.248 1.00 0.00 N ATOM 0 H ASN A 61 -14.293 9.412 9.039 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.800 7.045 9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.747 7.767 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.218 6.131 9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.680 6.743 13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.996 5.606 11.928 1.00 0.00 H new ATOM 958 N GLU A 62 -14.621 7.119 6.863 1.00 0.00 N ATOM 959 CA GLU A 62 -14.810 6.473 5.569 1.00 0.00 C ATOM 960 C GLU A 62 -13.558 6.602 4.708 1.00 0.00 C ATOM 961 O GLU A 62 -13.216 5.694 3.952 1.00 0.00 O ATOM 962 CB GLU A 62 -16.009 7.084 4.840 1.00 0.00 C ATOM 963 CG GLU A 62 -17.255 7.192 5.703 1.00 0.00 C ATOM 964 CD GLU A 62 -18.523 7.329 4.882 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.654 6.609 3.870 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.383 8.156 5.250 1.00 0.00 O ATOM 0 H GLU A 62 -15.191 7.952 7.006 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.001 5.414 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.738 8.077 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.237 6.479 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.331 6.309 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.160 8.053 6.365 1.00 0.00 H new ATOM 973 N GLU A 63 -12.878 7.738 4.829 1.00 0.00 N ATOM 974 CA GLU A 63 -11.664 7.987 4.060 1.00 0.00 C ATOM 975 C GLU A 63 -10.608 6.925 4.352 1.00 0.00 C ATOM 976 O GLU A 63 -9.717 6.681 3.539 1.00 0.00 O ATOM 977 CB GLU A 63 -11.108 9.377 4.378 1.00 0.00 C ATOM 978 CG GLU A 63 -12.120 10.495 4.193 1.00 0.00 C ATOM 979 CD GLU A 63 -12.404 10.788 2.732 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.471 10.668 1.910 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.559 11.137 2.411 1.00 0.00 O ATOM 0 H GLU A 63 -13.147 8.500 5.452 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.919 7.940 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.750 9.389 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.246 9.569 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.050 10.225 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.749 11.399 4.676 1.00 0.00 H new ATOM 988 N ARG A 64 -10.715 6.299 5.519 1.00 0.00 N ATOM 989 CA ARG A 64 -9.769 5.265 5.921 1.00 0.00 C ATOM 990 C ARG A 64 -10.383 3.876 5.768 1.00 0.00 C ATOM 991 O ARG A 64 -9.671 2.885 5.611 1.00 0.00 O ATOM 992 CB ARG A 64 -9.327 5.482 7.369 1.00 0.00 C ATOM 993 CG ARG A 64 -8.499 6.741 7.571 1.00 0.00 C ATOM 994 CD ARG A 64 -8.204 6.983 9.043 1.00 0.00 C ATOM 995 NE ARG A 64 -9.188 7.867 9.661 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.018 8.443 10.846 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.907 8.229 11.537 1.00 0.00 N ATOM 998 NH2 ARG A 64 -9.960 9.235 11.341 1.00 0.00 N ATOM 0 H ARG A 64 -11.447 6.490 6.203 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.898 5.332 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.210 5.532 8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.747 4.619 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.562 6.654 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.032 7.598 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.191 6.030 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.210 7.418 9.147 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.054 8.053 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.180 7.621 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.779 8.672 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.816 9.402 10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.829 9.677 12.251 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.710 3.814 5.816 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.420 2.547 5.685 1.00 0.00 C ATOM 1014 C ARG A 65 -11.962 1.793 4.440 1.00 0.00 C ATOM 1015 O ARG A 65 -11.819 0.571 4.461 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.930 2.789 5.621 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.758 1.570 5.991 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.247 1.875 5.952 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.049 0.755 6.437 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.367 0.807 6.593 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.028 1.919 6.302 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -19.026 -0.254 7.039 1.00 0.00 N ATOM 0 H ARG A 65 -12.315 4.625 5.944 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.192 1.939 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.187 3.609 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.196 3.106 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.534 0.755 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.481 1.230 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.452 2.757 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.541 2.115 4.930 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.570 -0.115 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.524 2.736 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.040 1.957 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.521 -1.111 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.038 -0.213 7.158 1.00 0.00 H new ATOM 1036 N MET A 66 -11.733 2.530 3.359 1.00 0.00 N ATOM 1037 CA MET A 66 -11.290 1.931 2.105 1.00 0.00 C ATOM 1038 C MET A 66 -10.076 1.035 2.330 1.00 0.00 C ATOM 1039 O MET A 66 -9.926 0.001 1.679 1.00 0.00 O ATOM 1040 CB MET A 66 -10.952 3.020 1.085 1.00 0.00 C ATOM 1041 CG MET A 66 -9.926 4.024 1.585 1.00 0.00 C ATOM 1042 SD MET A 66 -9.957 5.570 0.658 1.00 0.00 S ATOM 1043 CE MET A 66 -11.597 6.171 1.058 1.00 0.00 C ATOM 0 H MET A 66 -11.847 3.543 3.325 1.00 0.00 H new ATOM 0 HA MET A 66 -12.104 1.320 1.716 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.576 2.551 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.866 3.550 0.816 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.112 4.233 2.639 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.931 3.585 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.622 7.256 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.323 5.726 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.845 5.897 2.084 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.212 1.438 3.255 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.010 0.673 3.564 1.00 0.00 C ATOM 1055 C TYR A 67 -8.254 -0.277 4.732 1.00 0.00 C ATOM 1056 O TYR A 67 -7.610 -1.321 4.845 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.850 1.615 3.892 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.739 2.790 2.946 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.209 2.632 1.671 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.162 4.057 3.328 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.104 3.703 0.804 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.062 5.133 2.467 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.533 4.951 1.206 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.431 6.020 0.346 1.00 0.00 O ATOM 0 H TYR A 67 -9.322 2.291 3.804 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.751 0.081 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.972 1.988 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.917 1.051 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.874 1.656 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.576 4.203 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.688 3.564 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.396 6.111 2.780 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.585 6.488 0.505 1.00 0.00 H new ATOM 1074 N THR A 68 -9.190 0.092 5.601 1.00 0.00 N ATOM 1075 CA THR A 68 -9.520 -0.725 6.762 1.00 0.00 C ATOM 1076 C THR A 68 -9.969 -2.120 6.343 1.00 0.00 C ATOM 1077 O THR A 68 -9.296 -3.111 6.626 1.00 0.00 O ATOM 1078 CB THR A 68 -10.629 -0.074 7.610 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.296 1.290 7.889 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.826 -0.830 8.915 1.00 0.00 C ATOM 0 H THR A 68 -9.733 0.952 5.522 1.00 0.00 H new ATOM 0 HA THR A 68 -8.613 -0.803 7.362 1.00 0.00 H new ATOM 0 HB THR A 68 -11.559 -0.111 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.112 1.760 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.614 -0.352 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.108 -1.860 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.897 -0.820 9.485 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.110 -2.190 5.666 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.649 -3.465 5.206 1.00 0.00 C ATOM 1090 C LEU A 69 -10.717 -4.116 4.189 1.00 0.00 C ATOM 1091 O LEU A 69 -10.430 -5.309 4.271 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.034 -3.262 4.588 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.209 -3.246 5.566 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -13.998 -2.187 6.637 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -15.517 -3.004 4.826 1.00 0.00 C ATOM 0 H LEU A 69 -11.679 -1.379 5.424 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.735 -4.127 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.031 -2.320 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.204 -4.054 3.859 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.264 -4.220 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.844 -2.190 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.083 -2.404 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.915 -1.207 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.342 -2.996 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.472 -2.044 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.675 -3.799 4.097 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.247 -3.322 3.232 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.345 -3.821 2.200 1.00 0.00 C ATOM 1109 C GLU A 70 -8.158 -4.550 2.822 1.00 0.00 C ATOM 1110 O GLU A 70 -7.913 -5.721 2.531 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.849 -2.669 1.324 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.952 -3.116 0.182 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.659 -4.044 -0.786 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.833 -3.775 -1.118 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.039 -5.041 -1.213 1.00 0.00 O ATOM 0 H GLU A 70 -10.476 -2.331 3.150 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.898 -4.526 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.709 -2.139 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.304 -1.959 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.593 -2.240 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.076 -3.621 0.589 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.423 -3.849 3.679 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.262 -4.429 4.343 1.00 0.00 C ATOM 1124 C ALA A 71 -6.651 -5.662 5.151 1.00 0.00 C ATOM 1125 O ALA A 71 -5.854 -6.585 5.317 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.597 -3.396 5.241 1.00 0.00 C ATOM 0 H ALA A 71 -7.611 -2.878 3.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.552 -4.738 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.732 -3.843 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.275 -2.545 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.307 -3.059 5.996 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.882 -5.672 5.652 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.378 -6.792 6.442 1.00 0.00 C ATOM 1134 C LYS A 72 -8.378 -8.079 5.622 1.00 0.00 C ATOM 1135 O LYS A 72 -7.771 -9.075 6.014 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.791 -6.499 6.950 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.116 -7.175 8.270 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.431 -6.675 8.845 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.622 -7.240 8.086 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.842 -8.681 8.391 1.00 0.00 N ATOM 0 H LYS A 72 -8.555 -4.916 5.524 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.712 -6.925 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.911 -5.422 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.512 -6.822 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.169 -8.254 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.312 -6.989 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.501 -6.957 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.456 -5.586 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.518 -6.674 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.462 -7.116 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.768 -8.976 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.094 -9.249 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.818 -8.826 9.421 1.00 0.00 H new ATOM 1154 N ALA A 73 -9.062 -8.049 4.483 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.137 -9.211 3.607 1.00 0.00 C ATOM 1156 C ALA A 73 -7.748 -9.758 3.298 1.00 0.00 C ATOM 1157 O ALA A 73 -7.563 -10.967 3.150 1.00 0.00 O ATOM 1158 CB ALA A 73 -9.865 -8.855 2.319 1.00 0.00 C ATOM 0 H ALA A 73 -9.572 -7.233 4.146 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.697 -9.989 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.914 -9.732 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.876 -8.520 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.328 -8.057 1.806 1.00 0.00 H new ATOM 1164 N LEU A 74 -6.773 -8.861 3.202 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.398 -9.253 2.910 1.00 0.00 C ATOM 1166 C LEU A 74 -4.787 -10.010 4.085 1.00 0.00 C ATOM 1167 O LEU A 74 -4.076 -10.997 3.897 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.553 -8.020 2.588 1.00 0.00 C ATOM 1169 CG LEU A 74 -4.484 -7.619 1.114 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -3.843 -8.725 0.290 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -5.873 -7.294 0.584 1.00 0.00 C ATOM 0 H LEU A 74 -6.909 -7.857 3.322 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.410 -9.913 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.947 -7.176 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.538 -8.197 2.943 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.866 -6.725 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.802 -8.422 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.832 -8.911 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.434 -9.636 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.805 -7.011 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.514 -8.170 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.297 -6.468 1.156 1.00 0.00 H new ATOM 1183 N ALA A 75 -5.070 -9.542 5.296 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.552 -10.177 6.501 1.00 0.00 C ATOM 1185 C ALA A 75 -5.192 -11.543 6.720 1.00 0.00 C ATOM 1186 O ALA A 75 -4.568 -12.449 7.271 1.00 0.00 O ATOM 1187 CB ALA A 75 -4.783 -9.283 7.710 1.00 0.00 C ATOM 0 H ALA A 75 -5.656 -8.725 5.468 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.480 -10.324 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.391 -9.770 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.272 -8.332 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.851 -9.106 7.833 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.441 -11.682 6.287 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.166 -12.939 6.438 1.00 0.00 C ATOM 1195 C GLU A 76 -6.852 -13.890 5.286 1.00 0.00 C ATOM 1196 O GLU A 76 -7.014 -15.103 5.409 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.672 -12.680 6.504 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.071 -11.679 7.576 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.461 -11.936 8.126 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -11.272 -12.569 7.418 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.737 -11.505 9.265 1.00 0.00 O ATOM 0 H GLU A 76 -6.972 -10.941 5.829 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.844 -13.405 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.012 -12.316 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.187 -13.623 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.349 -11.718 8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.029 -10.672 7.161 1.00 0.00 H new ATOM 1208 N GLU A 77 -6.404 -13.328 4.168 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.070 -14.126 2.994 1.00 0.00 C ATOM 1210 C GLU A 77 -4.604 -14.548 3.023 1.00 0.00 C ATOM 1211 O GLU A 77 -4.214 -15.516 2.371 1.00 0.00 O ATOM 1212 CB GLU A 77 -6.361 -13.338 1.715 1.00 0.00 C ATOM 1213 CG GLU A 77 -5.905 -14.044 0.449 1.00 0.00 C ATOM 1214 CD GLU A 77 -6.817 -13.771 -0.732 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -8.049 -13.733 -0.534 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -6.298 -13.595 -1.854 1.00 0.00 O ATOM 0 H GLU A 77 -6.264 -12.325 4.050 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.689 -15.023 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.433 -13.150 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.870 -12.367 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.893 -13.723 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.864 -15.118 0.631 1.00 0.00 H new ATOM 1223 N GLN A 78 -3.797 -13.813 3.782 1.00 0.00 N ATOM 1224 CA GLN A 78 -2.374 -14.110 3.894 1.00 0.00 C ATOM 1225 C GLN A 78 -2.129 -15.223 4.907 1.00 0.00 C ATOM 1226 O GLN A 78 -1.126 -15.934 4.834 1.00 0.00 O ATOM 1227 CB GLN A 78 -1.600 -12.854 4.300 1.00 0.00 C ATOM 1228 CG GLN A 78 -1.190 -11.985 3.123 1.00 0.00 C ATOM 1229 CD GLN A 78 0.187 -11.375 3.299 1.00 0.00 C ATOM 1230 OE1 GLN A 78 1.113 -12.032 3.775 1.00 0.00 O ATOM 1231 NE2 GLN A 78 0.328 -10.111 2.917 1.00 0.00 N ATOM 0 H GLN A 78 -4.104 -13.008 4.328 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.020 -14.447 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.213 -12.264 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.707 -13.150 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.204 -12.584 2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.922 -11.188 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.467 -9.604 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.231 -9.647 3.013 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.050 -15.368 5.854 1.00 0.00 N ATOM 1241 CA LYS A 79 -2.935 -16.395 6.882 1.00 0.00 C ATOM 1242 C LYS A 79 -3.273 -17.771 6.318 1.00 0.00 C ATOM 1243 O LYS A 79 -2.733 -18.784 6.762 1.00 0.00 O ATOM 1244 CB LYS A 79 -3.860 -16.073 8.058 1.00 0.00 C ATOM 1245 CG LYS A 79 -5.317 -16.411 7.796 1.00 0.00 C ATOM 1246 CD LYS A 79 -6.248 -15.569 8.653 1.00 0.00 C ATOM 1247 CE LYS A 79 -6.558 -16.252 9.976 1.00 0.00 C ATOM 1248 NZ LYS A 79 -7.389 -15.391 10.863 1.00 0.00 N ATOM 0 H LYS A 79 -3.885 -14.787 5.931 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.903 -16.409 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.521 -16.621 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.779 -15.012 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.545 -16.249 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.489 -17.468 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.791 -14.598 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.176 -15.385 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.080 -17.190 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.626 -16.503 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.579 -15.892 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.880 -14.507 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.289 -15.172 10.390 1.00 0.00 H new ATOM 1262 N ARG A 80 -4.169 -17.799 5.336 1.00 0.00 N ATOM 1263 CA ARG A 80 -4.578 -19.051 4.710 1.00 0.00 C ATOM 1264 C ARG A 80 -3.495 -19.568 3.769 1.00 0.00 C ATOM 1265 O ARG A 80 -3.476 -20.748 3.416 1.00 0.00 O ATOM 1266 CB ARG A 80 -5.887 -18.858 3.942 1.00 0.00 C ATOM 1267 CG ARG A 80 -5.752 -17.954 2.727 1.00 0.00 C ATOM 1268 CD ARG A 80 -6.348 -18.597 1.485 1.00 0.00 C ATOM 1269 NE ARG A 80 -7.132 -17.649 0.700 1.00 0.00 N ATOM 1270 CZ ARG A 80 -8.372 -17.285 1.010 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -8.964 -17.789 2.084 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -9.021 -16.417 0.246 1.00 0.00 N ATOM 0 H ARG A 80 -4.625 -16.969 4.957 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.732 -19.788 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.257 -19.832 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.635 -18.439 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.251 -17.005 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.699 -17.731 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.547 -19.004 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.981 -19.435 1.779 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.705 -17.243 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.468 -18.457 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.916 -17.509 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.569 -16.028 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.973 -16.139 0.485 1.00 0.00 H new ATOM 1286 N LEU A 81 -2.594 -18.678 3.366 1.00 0.00 N ATOM 1287 CA LEU A 81 -1.507 -19.044 2.465 1.00 0.00 C ATOM 1288 C LEU A 81 -0.443 -19.856 3.197 1.00 0.00 C ATOM 1289 O LEU A 81 0.134 -20.788 2.639 1.00 0.00 O ATOM 1290 CB LEU A 81 -0.879 -17.790 1.856 1.00 0.00 C ATOM 1291 CG LEU A 81 -1.273 -17.475 0.412 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -0.825 -18.591 -0.519 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -2.776 -17.259 0.305 1.00 0.00 C ATOM 0 H LEU A 81 -2.595 -17.698 3.649 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.921 -19.659 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.145 -16.936 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.205 -17.892 1.902 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.771 -16.555 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.114 -18.349 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.258 -18.698 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.298 -19.526 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.039 -17.036 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.297 -18.161 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.070 -16.425 0.942 1.00 0.00 H new ATOM 1305 N ASN A 82 -0.189 -19.495 4.451 1.00 0.00 N ATOM 1306 CA ASN A 82 0.805 -20.190 5.260 1.00 0.00 C ATOM 1307 C ASN A 82 0.305 -20.382 6.689 1.00 0.00 C ATOM 1308 O ASN A 82 0.755 -19.721 7.625 1.00 0.00 O ATOM 1309 CB ASN A 82 2.121 -19.411 5.269 1.00 0.00 C ATOM 1310 CG ASN A 82 2.698 -19.234 3.878 1.00 0.00 C ATOM 1311 OD1 ASN A 82 3.492 -20.053 3.414 1.00 0.00 O ATOM 1312 ND2 ASN A 82 2.300 -18.161 3.205 1.00 0.00 N ATOM 0 H ASN A 82 -0.658 -18.725 4.928 1.00 0.00 H new ATOM 0 HA ASN A 82 0.975 -21.172 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.957 -18.432 5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.844 -19.933 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.654 -17.989 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.640 -17.509 3.629 1.00 0.00 H new ATOM 1319 N PRO A 83 -0.648 -21.310 6.863 1.00 0.00 N ATOM 1320 CA PRO A 83 -1.229 -21.612 8.174 1.00 0.00 C ATOM 1321 C PRO A 83 -0.240 -22.313 9.099 1.00 0.00 C ATOM 1322 O PRO A 83 -0.314 -22.178 10.320 1.00 0.00 O ATOM 1323 CB PRO A 83 -2.399 -22.541 7.839 1.00 0.00 C ATOM 1324 CG PRO A 83 -2.021 -23.172 6.543 1.00 0.00 C ATOM 1325 CD PRO A 83 -1.231 -22.136 5.792 1.00 0.00 C ATOM 0 HA PRO A 83 -1.524 -20.708 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.545 -23.291 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.333 -21.986 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.428 -24.072 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.906 -23.470 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.460 -22.591 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.867 -21.547 5.131 1.00 0.00 H new ATOM 1333 N ASP A 84 0.685 -23.062 8.509 1.00 0.00 N ATOM 1334 CA ASP A 84 1.691 -23.784 9.280 1.00 0.00 C ATOM 1335 C ASP A 84 2.462 -22.834 10.191 1.00 0.00 C ATOM 1336 O ASP A 84 2.938 -23.228 11.256 1.00 0.00 O ATOM 1337 CB ASP A 84 2.658 -24.510 8.344 1.00 0.00 C ATOM 1338 CG ASP A 84 3.417 -23.557 7.442 1.00 0.00 C ATOM 1339 OD1 ASP A 84 2.796 -22.998 6.514 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.631 -23.370 7.665 1.00 0.00 O ATOM 0 H ASP A 84 0.759 -23.185 7.499 1.00 0.00 H new ATOM 0 HA ASP A 84 1.179 -24.519 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.368 -25.087 8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.102 -25.220 7.732 1.00 0.00 H new ATOM 1345 N CYS A 85 2.583 -21.581 9.765 1.00 0.00 N ATOM 1346 CA CYS A 85 3.299 -20.575 10.541 1.00 0.00 C ATOM 1347 C CYS A 85 2.535 -20.225 11.814 1.00 0.00 C ATOM 1348 O CYS A 85 3.124 -20.094 12.887 1.00 0.00 O ATOM 1349 CB CYS A 85 3.519 -19.315 9.702 1.00 0.00 C ATOM 1350 SG CYS A 85 4.886 -19.442 8.525 1.00 0.00 S ATOM 0 H CYS A 85 2.194 -21.238 8.887 1.00 0.00 H new ATOM 0 HA CYS A 85 4.267 -20.990 10.822 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.603 -19.091 9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.706 -18.474 10.370 1.00 0.00 H new ATOM 0 HG CYS A 85 5.269 -18.250 8.174 1.00 0.00 H new ATOM 1356 N TRP A 86 1.222 -20.074 11.686 1.00 0.00 N ATOM 1357 CA TRP A 86 0.377 -19.738 12.827 1.00 0.00 C ATOM 1358 C TRP A 86 -0.412 -20.955 13.297 1.00 0.00 C ATOM 1359 O TRP A 86 -1.636 -21.001 13.171 1.00 0.00 O ATOM 1360 CB TRP A 86 -0.582 -18.603 12.461 1.00 0.00 C ATOM 1361 CG TRP A 86 0.106 -17.288 12.254 1.00 0.00 C ATOM 1362 CD1 TRP A 86 1.375 -16.957 12.638 1.00 0.00 C ATOM 1363 CD2 TRP A 86 -0.437 -16.127 11.617 1.00 0.00 C ATOM 1364 NE1 TRP A 86 1.652 -15.661 12.278 1.00 0.00 N ATOM 1365 CE2 TRP A 86 0.557 -15.130 11.649 1.00 0.00 C ATOM 1366 CE3 TRP A 86 -1.666 -15.834 11.020 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 0.358 -13.863 11.108 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 -1.863 -14.575 10.484 1.00 0.00 C ATOM 1369 CH2 TRP A 86 -0.855 -13.603 10.530 1.00 0.00 C ATOM 0 H TRP A 86 0.719 -20.179 10.805 1.00 0.00 H new ATOM 0 HA TRP A 86 1.023 -19.410 13.642 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -1.120 -18.871 11.552 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -1.325 -18.496 13.251 1.00 0.00 H new ATOM 0 HD1 TRP A 86 2.059 -17.618 13.149 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.531 -15.173 12.451 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -2.448 -16.578 10.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.133 -13.112 11.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -2.810 -14.337 10.022 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.039 -12.629 10.101 1.00 0.00 H new ATOM 1380 N LYS A 87 0.295 -21.939 13.841 1.00 0.00 N ATOM 1381 CA LYS A 87 -0.339 -23.157 14.332 1.00 0.00 C ATOM 1382 C LYS A 87 -1.219 -22.861 15.543 1.00 0.00 C ATOM 1383 O LYS A 87 -2.357 -23.325 15.624 1.00 0.00 O ATOM 1384 CB LYS A 87 0.722 -24.196 14.701 1.00 0.00 C ATOM 1385 CG LYS A 87 0.147 -25.567 15.015 1.00 0.00 C ATOM 1386 CD LYS A 87 1.171 -26.457 15.698 1.00 0.00 C ATOM 1387 CE LYS A 87 2.341 -26.770 14.778 1.00 0.00 C ATOM 1388 NZ LYS A 87 3.300 -27.723 15.404 1.00 0.00 N ATOM 0 H LYS A 87 1.309 -21.917 13.953 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.968 -23.556 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.430 -24.288 13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.283 -23.840 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.727 -25.458 15.657 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.191 -26.041 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.537 -25.966 16.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.695 -27.386 16.012 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.967 -27.192 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.861 -25.846 14.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.083 -27.911 14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.677 -27.310 16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.811 -28.614 15.623 1.00 0.00 H new TER 1402 LYS A 87