USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 151:sc= 0.272 (180deg=0.0272) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -1.5 (180deg=-3.59!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -63:sc= 1.08 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 20:sc= 1.3 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00768 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 22:sc= 0.686! USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00785 X(o=-0.0078,f=-0.013) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.9!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 71:sc= 1.29 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 177:sc= 0.125 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.782 -18.186 0.390 1.00 0.00 N ATOM 2 CA MET A 1 -7.609 -19.465 1.057 1.00 0.00 C ATOM 3 C MET A 1 -8.874 -19.860 1.822 1.00 0.00 C ATOM 4 O MET A 1 -9.005 -19.561 3.008 1.00 0.00 O ATOM 5 CB MET A 1 -6.430 -19.379 2.028 1.00 0.00 C ATOM 6 CG MET A 1 -5.156 -19.942 1.395 1.00 0.00 C ATOM 7 SD MET A 1 -3.750 -18.950 1.869 1.00 0.00 S ATOM 8 CE MET A 1 -3.385 -19.670 3.461 1.00 0.00 C ATOM 0 H1 MET A 1 -7.298 -18.206 -0.530 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.796 -18.005 0.244 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.377 -17.430 0.978 1.00 0.00 H new ATOM 0 HA MET A 1 -7.413 -20.225 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.268 -18.341 2.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.663 -19.932 2.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.007 -20.974 1.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.254 -19.954 0.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.526 -19.164 3.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.248 -19.558 4.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.158 -20.729 3.338 1.00 0.00 H new ATOM 18 N SER A 2 -9.773 -20.526 1.113 1.00 0.00 N ATOM 19 CA SER A 2 -11.022 -20.965 1.711 1.00 0.00 C ATOM 20 C SER A 2 -11.861 -19.752 2.120 1.00 0.00 C ATOM 21 O SER A 2 -11.823 -19.327 3.273 1.00 0.00 O ATOM 22 CB SER A 2 -10.767 -21.866 2.921 1.00 0.00 C ATOM 23 OG SER A 2 -10.859 -23.248 2.585 1.00 0.00 O ATOM 0 H SER A 2 -9.661 -20.772 0.130 1.00 0.00 H new ATOM 0 HA SER A 2 -11.571 -21.545 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.777 -21.657 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.489 -21.634 3.704 1.00 0.00 H new ATOM 0 HG SER A 2 -10.688 -23.791 3.383 1.00 0.00 H new ATOM 29 N THR A 3 -12.599 -19.230 1.152 1.00 0.00 N ATOM 30 CA THR A 3 -13.446 -18.075 1.396 1.00 0.00 C ATOM 31 C THR A 3 -12.710 -17.047 2.258 1.00 0.00 C ATOM 32 O THR A 3 -13.245 -16.574 3.260 1.00 0.00 O ATOM 33 CB THR A 3 -14.751 -18.570 2.023 1.00 0.00 C ATOM 34 OG1 THR A 3 -15.476 -17.375 2.303 1.00 0.00 O ATOM 35 CG2 THR A 3 -14.536 -19.206 3.398 1.00 0.00 C ATOM 0 H THR A 3 -12.628 -19.586 0.197 1.00 0.00 H new ATOM 0 HA THR A 3 -13.690 -17.560 0.467 1.00 0.00 H new ATOM 0 HB THR A 3 -15.222 -19.294 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.985 -16.841 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.493 -19.540 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.865 -20.059 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.097 -18.472 4.074 1.00 0.00 H new ATOM 43 N ASP A 4 -11.494 -16.732 1.837 1.00 0.00 N ATOM 44 CA ASP A 4 -10.679 -15.769 2.558 1.00 0.00 C ATOM 45 C ASP A 4 -11.429 -14.439 2.650 1.00 0.00 C ATOM 46 O ASP A 4 -11.584 -13.883 3.736 1.00 0.00 O ATOM 47 CB ASP A 4 -9.355 -15.515 1.833 1.00 0.00 C ATOM 48 CG ASP A 4 -8.231 -14.964 2.712 1.00 0.00 C ATOM 49 OD1 ASP A 4 -7.931 -15.513 3.783 1.00 0.00 O ATOM 50 OD2 ASP A 4 -7.644 -13.912 2.252 1.00 0.00 O ATOM 0 H ASP A 4 -11.053 -17.126 1.006 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.476 -16.175 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.019 -16.450 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.534 -14.815 1.017 1.00 0.00 H new ATOM 55 N THR A 5 -11.876 -13.967 1.495 1.00 0.00 N ATOM 56 CA THR A 5 -12.607 -12.713 1.431 1.00 0.00 C ATOM 57 C THR A 5 -14.066 -12.965 1.044 1.00 0.00 C ATOM 58 O THR A 5 -14.961 -12.239 1.475 1.00 0.00 O ATOM 59 CB THR A 5 -11.873 -11.786 0.461 1.00 0.00 C ATOM 60 OG1 THR A 5 -12.399 -10.494 0.749 1.00 0.00 O ATOM 61 CG2 THR A 5 -12.267 -12.033 -0.996 1.00 0.00 C ATOM 0 H THR A 5 -11.746 -14.431 0.596 1.00 0.00 H new ATOM 0 HA THR A 5 -12.641 -12.226 2.405 1.00 0.00 H new ATOM 0 HB THR A 5 -10.797 -11.921 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.976 -9.831 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.717 -11.349 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.028 -13.061 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.337 -11.865 -1.117 1.00 0.00 H new ATOM 69 N GLY A 6 -14.261 -13.996 0.236 1.00 0.00 N ATOM 70 CA GLY A 6 -15.595 -14.353 -0.214 1.00 0.00 C ATOM 71 C GLY A 6 -15.848 -13.848 -1.637 1.00 0.00 C ATOM 72 O GLY A 6 -15.606 -14.566 -2.606 1.00 0.00 O ATOM 0 H GLY A 6 -13.517 -14.596 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -15.716 -15.436 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.337 -13.929 0.463 1.00 0.00 H new ATOM 76 N VAL A 7 -16.330 -12.617 -1.716 1.00 0.00 N ATOM 77 CA VAL A 7 -16.618 -12.008 -3.004 1.00 0.00 C ATOM 78 C VAL A 7 -16.303 -10.512 -2.937 1.00 0.00 C ATOM 79 O VAL A 7 -16.753 -9.819 -2.025 1.00 0.00 O ATOM 80 CB VAL A 7 -18.065 -12.297 -3.408 1.00 0.00 C ATOM 81 CG1 VAL A 7 -19.023 -12.030 -2.244 1.00 0.00 C ATOM 82 CG2 VAL A 7 -18.462 -11.485 -4.642 1.00 0.00 C ATOM 0 H VAL A 7 -16.528 -12.025 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.986 -12.439 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 7 -18.137 -13.354 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.045 -12.243 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.761 -12.671 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.947 -10.985 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -19.495 -11.709 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -18.366 -10.421 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.808 -11.745 -5.475 1.00 0.00 H new ATOM 92 N SER A 8 -15.534 -10.057 -3.915 1.00 0.00 N ATOM 93 CA SER A 8 -15.154 -8.656 -3.979 1.00 0.00 C ATOM 94 C SER A 8 -16.131 -7.889 -4.872 1.00 0.00 C ATOM 95 O SER A 8 -16.117 -8.048 -6.092 1.00 0.00 O ATOM 96 CB SER A 8 -13.723 -8.496 -4.497 1.00 0.00 C ATOM 97 OG SER A 8 -13.098 -7.323 -3.985 1.00 0.00 O ATOM 0 H SER A 8 -15.164 -10.634 -4.670 1.00 0.00 H new ATOM 0 HA SER A 8 -15.194 -8.245 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.136 -9.371 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.734 -8.455 -5.586 1.00 0.00 H new ATOM 0 HG SER A 8 -12.186 -7.258 -4.338 1.00 0.00 H new ATOM 103 N LEU A 9 -16.955 -7.074 -4.230 1.00 0.00 N ATOM 104 CA LEU A 9 -17.936 -6.282 -4.952 1.00 0.00 C ATOM 105 C LEU A 9 -17.236 -5.497 -6.063 1.00 0.00 C ATOM 106 O LEU A 9 -17.595 -5.615 -7.233 1.00 0.00 O ATOM 107 CB LEU A 9 -18.731 -5.402 -3.984 1.00 0.00 C ATOM 108 CG LEU A 9 -20.211 -5.753 -3.821 1.00 0.00 C ATOM 109 CD1 LEU A 9 -20.520 -6.171 -2.382 1.00 0.00 C ATOM 110 CD2 LEU A 9 -21.102 -4.599 -4.286 1.00 0.00 C ATOM 0 H LEU A 9 -16.963 -6.945 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 9 -18.668 -6.930 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.256 -5.453 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.658 -4.368 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.432 -6.608 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -21.579 -6.415 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.923 -7.045 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -20.279 -5.351 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.149 -4.874 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -20.886 -3.711 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -20.906 -4.389 -5.338 1.00 0.00 H new ATOM 122 N PRO A 10 -16.221 -4.693 -5.646 1.00 0.00 N ATOM 123 CA PRO A 10 -15.467 -3.889 -6.592 1.00 0.00 C ATOM 124 C PRO A 10 -14.495 -4.756 -7.396 1.00 0.00 C ATOM 125 O PRO A 10 -14.431 -5.968 -7.199 1.00 0.00 O ATOM 126 CB PRO A 10 -14.765 -2.840 -5.745 1.00 0.00 C ATOM 127 CG PRO A 10 -14.779 -3.375 -4.323 1.00 0.00 C ATOM 128 CD PRO A 10 -15.767 -4.528 -4.268 1.00 0.00 C ATOM 0 HA PRO A 10 -16.101 -3.417 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.744 -2.678 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.279 -1.881 -5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.784 -3.711 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.068 -2.591 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.295 -5.437 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.600 -4.305 -3.601 1.00 0.00 H new ATOM 136 N SER A 11 -13.763 -4.100 -8.284 1.00 0.00 N ATOM 137 CA SER A 11 -12.798 -4.795 -9.119 1.00 0.00 C ATOM 138 C SER A 11 -13.417 -6.078 -9.677 1.00 0.00 C ATOM 139 O SER A 11 -13.151 -7.169 -9.176 1.00 0.00 O ATOM 140 CB SER A 11 -11.524 -5.119 -8.335 1.00 0.00 C ATOM 141 OG SER A 11 -11.771 -6.031 -7.268 1.00 0.00 O ATOM 0 H SER A 11 -13.819 -3.094 -8.444 1.00 0.00 H new ATOM 0 HA SER A 11 -12.527 -4.139 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.781 -5.544 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.101 -4.198 -7.934 1.00 0.00 H new ATOM 0 HG SER A 11 -12.609 -6.510 -7.435 1.00 0.00 H new ATOM 147 N TYR A 12 -14.232 -5.904 -10.707 1.00 0.00 N ATOM 148 CA TYR A 12 -14.892 -7.034 -11.340 1.00 0.00 C ATOM 149 C TYR A 12 -15.674 -6.590 -12.577 1.00 0.00 C ATOM 150 O TYR A 12 -16.845 -6.227 -12.479 1.00 0.00 O ATOM 151 CB TYR A 12 -15.872 -7.585 -10.302 1.00 0.00 C ATOM 152 CG TYR A 12 -16.177 -9.075 -10.464 1.00 0.00 C ATOM 153 CD1 TYR A 12 -16.859 -9.522 -11.578 1.00 0.00 C ATOM 154 CD2 TYR A 12 -15.772 -9.972 -9.497 1.00 0.00 C ATOM 155 CE1 TYR A 12 -17.146 -10.925 -11.731 1.00 0.00 C ATOM 156 CE2 TYR A 12 -16.059 -11.374 -9.650 1.00 0.00 C ATOM 157 CZ TYR A 12 -16.732 -11.782 -10.759 1.00 0.00 C ATOM 158 OH TYR A 12 -17.004 -13.107 -10.903 1.00 0.00 O ATOM 0 H TYR A 12 -14.451 -4.997 -11.119 1.00 0.00 H new ATOM 0 HA TYR A 12 -14.160 -7.776 -11.660 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -15.464 -7.414 -9.306 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -16.805 -7.025 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -17.177 -8.820 -12.334 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.239 -9.622 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -17.678 -11.289 -12.598 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -15.747 -12.086 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.648 -13.599 -10.134 1.00 0.00 H new ATOM 168 N GLU A 13 -14.995 -6.633 -13.714 1.00 0.00 N ATOM 169 CA GLU A 13 -15.612 -6.240 -14.970 1.00 0.00 C ATOM 170 C GLU A 13 -15.960 -7.477 -15.800 1.00 0.00 C ATOM 171 O GLU A 13 -17.120 -7.686 -16.153 1.00 0.00 O ATOM 172 CB GLU A 13 -14.703 -5.291 -15.754 1.00 0.00 C ATOM 173 CG GLU A 13 -15.519 -4.196 -16.444 1.00 0.00 C ATOM 174 CD GLU A 13 -15.399 -4.301 -17.966 1.00 0.00 C ATOM 175 OE1 GLU A 13 -15.374 -5.414 -18.511 1.00 0.00 O ATOM 176 OE2 GLU A 13 -15.333 -3.171 -18.586 1.00 0.00 O ATOM 0 H GLU A 13 -14.024 -6.934 -13.792 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.535 -5.705 -14.747 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.976 -4.838 -15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.140 -5.853 -16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.566 -4.278 -16.151 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.172 -3.217 -16.115 1.00 0.00 H new ATOM 183 N GLU A 14 -14.935 -8.265 -16.088 1.00 0.00 N ATOM 184 CA GLU A 14 -15.118 -9.476 -16.870 1.00 0.00 C ATOM 185 C GLU A 14 -13.978 -10.460 -16.600 1.00 0.00 C ATOM 186 O GLU A 14 -14.219 -11.604 -16.217 1.00 0.00 O ATOM 187 CB GLU A 14 -15.222 -9.154 -18.362 1.00 0.00 C ATOM 188 CG GLU A 14 -16.537 -9.676 -18.945 1.00 0.00 C ATOM 189 CD GLU A 14 -16.407 -11.141 -19.366 1.00 0.00 C ATOM 190 OE1 GLU A 14 -16.226 -11.973 -18.397 1.00 0.00 O ATOM 191 OE2 GLU A 14 -16.476 -11.450 -20.565 1.00 0.00 O ATOM 0 H GLU A 14 -13.974 -8.089 -15.794 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.055 -9.943 -16.566 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.157 -8.076 -18.511 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.382 -9.601 -18.894 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.332 -9.576 -18.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.823 -9.071 -19.805 1.00 0.00 H new ATOM 198 N ASP A 15 -12.762 -9.979 -16.810 1.00 0.00 N ATOM 199 CA ASP A 15 -11.584 -10.803 -16.594 1.00 0.00 C ATOM 200 C ASP A 15 -10.351 -9.903 -16.490 1.00 0.00 C ATOM 201 O ASP A 15 -9.798 -9.483 -17.505 1.00 0.00 O ATOM 202 CB ASP A 15 -11.367 -11.771 -17.759 1.00 0.00 C ATOM 203 CG ASP A 15 -10.543 -13.015 -17.421 1.00 0.00 C ATOM 204 OD1 ASP A 15 -9.764 -13.022 -16.457 1.00 0.00 O ATOM 205 OD2 ASP A 15 -10.729 -14.021 -18.206 1.00 0.00 O ATOM 0 H ASP A 15 -12.566 -9.030 -17.127 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.734 -11.372 -15.677 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.340 -12.089 -18.134 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.873 -11.235 -18.570 1.00 0.00 H new ATOM 210 N GLN A 16 -9.955 -9.636 -15.254 1.00 0.00 N ATOM 211 CA GLN A 16 -8.797 -8.794 -15.005 1.00 0.00 C ATOM 212 C GLN A 16 -8.340 -8.937 -13.552 1.00 0.00 C ATOM 213 O GLN A 16 -7.180 -9.253 -13.291 1.00 0.00 O ATOM 214 CB GLN A 16 -9.098 -7.333 -15.344 1.00 0.00 C ATOM 215 CG GLN A 16 -8.199 -6.837 -16.479 1.00 0.00 C ATOM 216 CD GLN A 16 -8.220 -5.309 -16.567 1.00 0.00 C ATOM 217 OE1 GLN A 16 -7.693 -4.606 -15.721 1.00 0.00 O ATOM 218 NE2 GLN A 16 -8.857 -4.838 -17.635 1.00 0.00 N ATOM 0 H GLN A 16 -10.415 -9.988 -14.414 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.986 -9.123 -15.655 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.144 -7.231 -15.633 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.949 -6.713 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.178 -7.182 -16.316 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.532 -7.264 -17.425 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.276 -5.483 -18.305 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.927 -3.831 -17.785 1.00 0.00 H new ATOM 227 N GLY A 17 -9.275 -8.698 -12.645 1.00 0.00 N ATOM 228 CA GLY A 17 -8.983 -8.796 -11.225 1.00 0.00 C ATOM 229 C GLY A 17 -8.055 -9.977 -10.936 1.00 0.00 C ATOM 230 O GLY A 17 -6.937 -9.791 -10.458 1.00 0.00 O ATOM 0 H GLY A 17 -10.236 -8.437 -12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.519 -7.872 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.912 -8.914 -10.666 1.00 0.00 H new ATOM 234 N SER A 18 -8.553 -11.167 -11.240 1.00 0.00 N ATOM 235 CA SER A 18 -7.782 -12.379 -11.019 1.00 0.00 C ATOM 236 C SER A 18 -6.341 -12.177 -11.492 1.00 0.00 C ATOM 237 O SER A 18 -5.397 -12.532 -10.788 1.00 0.00 O ATOM 238 CB SER A 18 -8.414 -13.572 -11.739 1.00 0.00 C ATOM 239 OG SER A 18 -9.060 -13.185 -12.948 1.00 0.00 O ATOM 0 H SER A 18 -9.480 -11.318 -11.637 1.00 0.00 H new ATOM 0 HA SER A 18 -7.780 -12.593 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.644 -14.311 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.137 -14.052 -11.079 1.00 0.00 H new ATOM 0 HG SER A 18 -9.449 -13.975 -13.378 1.00 0.00 H new ATOM 245 N LYS A 19 -6.217 -11.606 -12.682 1.00 0.00 N ATOM 246 CA LYS A 19 -4.908 -11.352 -13.257 1.00 0.00 C ATOM 247 C LYS A 19 -4.074 -10.528 -12.273 1.00 0.00 C ATOM 248 O LYS A 19 -2.917 -10.853 -12.011 1.00 0.00 O ATOM 249 CB LYS A 19 -5.045 -10.707 -14.637 1.00 0.00 C ATOM 250 CG LYS A 19 -4.544 -11.648 -15.735 1.00 0.00 C ATOM 251 CD LYS A 19 -5.409 -11.534 -16.992 1.00 0.00 C ATOM 252 CE LYS A 19 -4.603 -10.967 -18.162 1.00 0.00 C ATOM 253 NZ LYS A 19 -4.618 -9.487 -18.134 1.00 0.00 N ATOM 0 H LYS A 19 -7.002 -11.312 -13.263 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.376 -12.289 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.089 -10.451 -14.821 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.479 -9.776 -14.665 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.509 -11.409 -15.979 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.557 -12.676 -15.372 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.802 -12.515 -17.258 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.266 -10.891 -16.791 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.575 -11.327 -18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.019 -11.323 -19.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.066 -9.119 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.599 -9.148 -18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.200 -9.152 -17.243 1.00 0.00 H new ATOM 267 N LEU A 20 -4.695 -9.479 -11.754 1.00 0.00 N ATOM 268 CA LEU A 20 -4.025 -8.607 -10.805 1.00 0.00 C ATOM 269 C LEU A 20 -3.683 -9.401 -9.543 1.00 0.00 C ATOM 270 O LEU A 20 -2.747 -9.056 -8.823 1.00 0.00 O ATOM 271 CB LEU A 20 -4.869 -7.359 -10.536 1.00 0.00 C ATOM 272 CG LEU A 20 -4.392 -6.460 -9.394 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.432 -4.986 -9.802 1.00 0.00 C ATOM 274 CD2 LEU A 20 -5.194 -6.724 -8.118 1.00 0.00 C ATOM 0 H LEU A 20 -5.655 -9.213 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.084 -8.245 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.904 -6.765 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.890 -7.674 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.352 -6.705 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.088 -4.369 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.783 -4.829 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.453 -4.708 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.835 -6.072 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.249 -6.523 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.070 -7.765 -7.819 1.00 0.00 H new ATOM 286 N ILE A 21 -4.460 -10.449 -9.313 1.00 0.00 N ATOM 287 CA ILE A 21 -4.251 -11.295 -8.150 1.00 0.00 C ATOM 288 C ILE A 21 -3.149 -12.312 -8.456 1.00 0.00 C ATOM 289 O ILE A 21 -2.534 -12.860 -7.543 1.00 0.00 O ATOM 290 CB ILE A 21 -5.569 -11.932 -7.706 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.583 -10.862 -7.294 1.00 0.00 C ATOM 292 CG2 ILE A 21 -5.336 -12.959 -6.597 1.00 0.00 C ATOM 293 CD1 ILE A 21 -6.129 -10.136 -6.026 1.00 0.00 C ATOM 0 H ILE A 21 -5.235 -10.732 -9.912 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.910 -10.700 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.993 -12.468 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.708 -10.143 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.556 -11.324 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.289 -13.396 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.674 -13.745 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.878 -12.469 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.867 -9.381 -5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.028 -10.854 -5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.168 -9.655 -6.207 1.00 0.00 H new ATOM 305 N ARG A 22 -2.933 -12.533 -9.744 1.00 0.00 N ATOM 306 CA ARG A 22 -1.917 -13.474 -10.182 1.00 0.00 C ATOM 307 C ARG A 22 -0.524 -12.962 -9.809 1.00 0.00 C ATOM 308 O ARG A 22 0.300 -13.715 -9.291 1.00 0.00 O ATOM 309 CB ARG A 22 -1.984 -13.693 -11.695 1.00 0.00 C ATOM 310 CG ARG A 22 -1.839 -15.176 -12.041 1.00 0.00 C ATOM 311 CD ARG A 22 -0.482 -15.458 -12.690 1.00 0.00 C ATOM 312 NE ARG A 22 -0.548 -15.181 -14.142 1.00 0.00 N ATOM 313 CZ ARG A 22 0.527 -15.161 -14.958 1.00 0.00 C ATOM 314 NH1 ARG A 22 1.763 -15.401 -14.470 1.00 0.00 N ATOM 315 NH2 ARG A 22 0.352 -14.902 -16.241 1.00 0.00 N ATOM 0 H ARG A 22 -3.445 -12.076 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.106 -14.423 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.933 -13.317 -12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.194 -13.123 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.945 -15.776 -11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.639 -15.475 -12.718 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.287 -14.839 -12.228 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.198 -16.497 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.463 -14.993 -14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.890 -15.599 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.570 -15.384 -15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.585 -14.721 -16.602 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.154 -14.883 -16.871 1.00 0.00 H new ATOM 329 N LYS A 23 -0.303 -11.686 -10.087 1.00 0.00 N ATOM 330 CA LYS A 23 0.976 -11.065 -9.788 1.00 0.00 C ATOM 331 C LYS A 23 2.103 -11.922 -10.367 1.00 0.00 C ATOM 332 O LYS A 23 1.848 -12.870 -11.108 1.00 0.00 O ATOM 333 CB LYS A 23 1.108 -10.809 -8.285 1.00 0.00 C ATOM 334 CG LYS A 23 1.502 -9.357 -8.008 1.00 0.00 C ATOM 335 CD LYS A 23 0.319 -8.565 -7.449 1.00 0.00 C ATOM 336 CE LYS A 23 0.226 -7.185 -8.102 1.00 0.00 C ATOM 337 NZ LYS A 23 -0.480 -6.236 -7.211 1.00 0.00 N ATOM 0 H LYS A 23 -0.989 -11.065 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 23 1.044 -10.086 -10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.163 -11.034 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.857 -11.479 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.330 -9.330 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.855 -8.890 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.606 -9.116 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.428 -8.454 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.226 -6.812 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.301 -7.261 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.534 -5.304 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.441 -6.586 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.039 -6.151 -6.314 1.00 0.00 H new ATOM 351 N ALA A 24 3.325 -11.559 -10.007 1.00 0.00 N ATOM 352 CA ALA A 24 4.492 -12.283 -10.482 1.00 0.00 C ATOM 353 C ALA A 24 4.334 -13.768 -10.152 1.00 0.00 C ATOM 354 O ALA A 24 4.233 -14.601 -11.052 1.00 0.00 O ATOM 355 CB ALA A 24 5.754 -11.679 -9.865 1.00 0.00 C ATOM 0 H ALA A 24 3.533 -10.773 -9.392 1.00 0.00 H new ATOM 0 HA ALA A 24 4.585 -12.194 -11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.629 -12.222 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.835 -10.631 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.699 -11.752 -8.779 1.00 0.00 H new ATOM 361 N LYS A 25 4.317 -14.055 -8.858 1.00 0.00 N ATOM 362 CA LYS A 25 4.174 -15.426 -8.398 1.00 0.00 C ATOM 363 C LYS A 25 4.151 -15.445 -6.868 1.00 0.00 C ATOM 364 O LYS A 25 3.091 -15.594 -6.261 1.00 0.00 O ATOM 365 CB LYS A 25 5.261 -16.313 -9.008 1.00 0.00 C ATOM 366 CG LYS A 25 4.673 -17.254 -10.062 1.00 0.00 C ATOM 367 CD LYS A 25 5.759 -17.757 -11.014 1.00 0.00 C ATOM 368 CE LYS A 25 5.146 -18.309 -12.303 1.00 0.00 C ATOM 369 NZ LYS A 25 6.160 -18.361 -13.379 1.00 0.00 N ATOM 0 H LYS A 25 4.400 -13.362 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 25 3.227 -15.845 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.032 -15.690 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.743 -16.896 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.193 -18.101 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.900 -16.734 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.444 -16.943 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.345 -18.534 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.746 -19.307 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.310 -17.681 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.727 -18.738 -14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.522 -17.403 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.944 -18.978 -13.087 1.00 0.00 H new ATOM 383 N GLU A 26 5.333 -15.294 -6.288 1.00 0.00 N ATOM 384 CA GLU A 26 5.461 -15.293 -4.841 1.00 0.00 C ATOM 385 C GLU A 26 4.887 -14.000 -4.258 1.00 0.00 C ATOM 386 O GLU A 26 4.276 -14.014 -3.191 1.00 0.00 O ATOM 387 CB GLU A 26 6.920 -15.483 -4.420 1.00 0.00 C ATOM 388 CG GLU A 26 7.168 -16.911 -3.932 1.00 0.00 C ATOM 389 CD GLU A 26 7.424 -16.938 -2.423 1.00 0.00 C ATOM 390 OE1 GLU A 26 7.875 -15.933 -1.853 1.00 0.00 O ATOM 391 OE2 GLU A 26 7.137 -18.052 -1.841 1.00 0.00 O ATOM 0 H GLU A 26 6.210 -15.172 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 26 4.890 -16.132 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.577 -15.263 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.169 -14.776 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.307 -17.535 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.024 -17.335 -4.457 1.00 0.00 H new ATOM 398 N ALA A 27 5.102 -12.913 -4.986 1.00 0.00 N ATOM 399 CA ALA A 27 4.613 -11.615 -4.554 1.00 0.00 C ATOM 400 C ALA A 27 5.367 -11.183 -3.295 1.00 0.00 C ATOM 401 O ALA A 27 4.772 -11.045 -2.227 1.00 0.00 O ATOM 402 CB ALA A 27 3.101 -11.687 -4.332 1.00 0.00 C ATOM 0 H ALA A 27 5.608 -12.905 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 27 4.795 -10.862 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.734 -10.713 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.610 -11.968 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.881 -12.431 -3.566 1.00 0.00 H new ATOM 408 N PRO A 28 6.701 -10.978 -3.466 1.00 0.00 N ATOM 409 CA PRO A 28 7.543 -10.565 -2.356 1.00 0.00 C ATOM 410 C PRO A 28 7.322 -9.088 -2.021 1.00 0.00 C ATOM 411 O PRO A 28 6.382 -8.469 -2.516 1.00 0.00 O ATOM 412 CB PRO A 28 8.963 -10.866 -2.806 1.00 0.00 C ATOM 413 CG PRO A 28 8.901 -11.002 -4.318 1.00 0.00 C ATOM 414 CD PRO A 28 7.440 -11.132 -4.715 1.00 0.00 C ATOM 0 HA PRO A 28 7.312 -11.095 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.643 -10.066 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.332 -11.783 -2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.351 -10.133 -4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.465 -11.875 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.157 -10.368 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.240 -12.099 -5.177 1.00 0.00 H new ATOM 422 N PHE A 29 8.205 -8.567 -1.181 1.00 0.00 N ATOM 423 CA PHE A 29 8.119 -7.175 -0.774 1.00 0.00 C ATOM 424 C PHE A 29 8.895 -6.273 -1.736 1.00 0.00 C ATOM 425 O PHE A 29 8.694 -5.060 -1.753 1.00 0.00 O ATOM 426 CB PHE A 29 8.749 -7.076 0.617 1.00 0.00 C ATOM 427 CG PHE A 29 7.742 -7.181 1.765 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.023 -8.322 1.937 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.565 -6.132 2.612 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.088 -8.419 3.001 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.630 -6.228 3.677 1.00 0.00 C ATOM 432 CZ PHE A 29 5.912 -7.370 3.849 1.00 0.00 C ATOM 0 H PHE A 29 8.983 -9.084 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 29 7.078 -6.852 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.492 -7.866 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.279 -6.127 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.163 -9.155 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.136 -5.225 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.517 -9.325 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.489 -5.395 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.202 -7.444 4.659 1.00 0.00 H new ATOM 442 N VAL A 30 9.764 -6.901 -2.514 1.00 0.00 N ATOM 443 CA VAL A 30 10.571 -6.171 -3.477 1.00 0.00 C ATOM 444 C VAL A 30 9.668 -5.238 -4.288 1.00 0.00 C ATOM 445 O VAL A 30 9.941 -4.044 -4.396 1.00 0.00 O ATOM 446 CB VAL A 30 11.358 -7.150 -4.351 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.317 -6.728 -5.821 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.800 -7.285 -3.859 1.00 0.00 C ATOM 0 H VAL A 30 9.927 -7.908 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 30 11.307 -5.550 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 30 10.883 -8.128 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.884 -7.441 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.283 -6.707 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.755 -5.736 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.338 -7.986 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.290 -6.312 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.801 -7.653 -2.833 1.00 0.00 H new ATOM 458 N PRO A 31 8.585 -5.835 -4.853 1.00 0.00 N ATOM 459 CA PRO A 31 7.641 -5.071 -5.651 1.00 0.00 C ATOM 460 C PRO A 31 6.745 -4.206 -4.762 1.00 0.00 C ATOM 461 O PRO A 31 6.124 -3.257 -5.237 1.00 0.00 O ATOM 462 CB PRO A 31 6.865 -6.110 -6.445 1.00 0.00 C ATOM 463 CG PRO A 31 7.080 -7.431 -5.723 1.00 0.00 C ATOM 464 CD PRO A 31 8.230 -7.247 -4.747 1.00 0.00 C ATOM 0 HA PRO A 31 8.132 -4.363 -6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.806 -5.857 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.223 -6.164 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.175 -7.729 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.308 -8.223 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.932 -7.505 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.074 -7.888 -5.004 1.00 0.00 H new ATOM 472 N VAL A 32 6.707 -4.566 -3.488 1.00 0.00 N ATOM 473 CA VAL A 32 5.897 -3.834 -2.528 1.00 0.00 C ATOM 474 C VAL A 32 6.544 -2.475 -2.252 1.00 0.00 C ATOM 475 O VAL A 32 5.865 -1.450 -2.252 1.00 0.00 O ATOM 476 CB VAL A 32 5.702 -4.671 -1.262 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.968 -3.872 -0.184 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.965 -5.975 -1.575 1.00 0.00 C ATOM 0 H VAL A 32 7.223 -5.354 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 32 4.903 -3.645 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 32 6.688 -4.928 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.842 -4.490 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.548 -2.985 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.989 -3.571 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.839 -6.551 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.986 -5.747 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.544 -6.557 -2.293 1.00 0.00 H new ATOM 488 N GLY A 33 7.849 -2.512 -2.024 1.00 0.00 N ATOM 489 CA GLY A 33 8.595 -1.296 -1.748 1.00 0.00 C ATOM 490 C GLY A 33 8.775 -0.463 -3.018 1.00 0.00 C ATOM 491 O GLY A 33 8.580 0.752 -3.001 1.00 0.00 O ATOM 0 H GLY A 33 8.409 -3.365 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.072 -0.708 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.571 -1.550 -1.334 1.00 0.00 H new ATOM 495 N ILE A 34 9.145 -1.148 -4.090 1.00 0.00 N ATOM 496 CA ILE A 34 9.354 -0.486 -5.366 1.00 0.00 C ATOM 497 C ILE A 34 8.027 0.095 -5.858 1.00 0.00 C ATOM 498 O ILE A 34 7.881 1.311 -5.967 1.00 0.00 O ATOM 499 CB ILE A 34 10.014 -1.441 -6.363 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.454 -1.756 -5.951 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.934 -0.888 -7.787 1.00 0.00 C ATOM 502 CD1 ILE A 34 11.993 -2.964 -6.719 1.00 0.00 C ATOM 0 H ILE A 34 9.305 -2.155 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 34 10.046 0.349 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 34 9.463 -2.381 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.088 -0.889 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.494 -1.954 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.410 -1.586 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.889 -0.757 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.446 0.073 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.018 -3.166 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.372 -3.835 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.974 -2.753 -7.788 1.00 0.00 H new ATOM 514 N ALA A 35 7.094 -0.802 -6.140 1.00 0.00 N ATOM 515 CA ALA A 35 5.783 -0.393 -6.618 1.00 0.00 C ATOM 516 C ALA A 35 5.146 0.551 -5.597 1.00 0.00 C ATOM 517 O ALA A 35 4.758 1.668 -5.937 1.00 0.00 O ATOM 518 CB ALA A 35 4.926 -1.633 -6.880 1.00 0.00 C ATOM 0 H ALA A 35 7.219 -1.810 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 35 5.869 0.149 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.943 -1.327 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.409 -2.256 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.815 -2.200 -5.956 1.00 0.00 H new ATOM 524 N GLY A 36 5.056 0.068 -4.366 1.00 0.00 N ATOM 525 CA GLY A 36 4.472 0.856 -3.294 1.00 0.00 C ATOM 526 C GLY A 36 4.926 2.315 -3.375 1.00 0.00 C ATOM 527 O GLY A 36 4.101 3.222 -3.468 1.00 0.00 O ATOM 0 H GLY A 36 5.378 -0.859 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.385 0.806 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.759 0.435 -2.330 1.00 0.00 H new ATOM 531 N PHE A 37 6.238 2.495 -3.336 1.00 0.00 N ATOM 532 CA PHE A 37 6.813 3.828 -3.404 1.00 0.00 C ATOM 533 C PHE A 37 6.343 4.565 -4.660 1.00 0.00 C ATOM 534 O PHE A 37 6.004 5.745 -4.602 1.00 0.00 O ATOM 535 CB PHE A 37 8.332 3.658 -3.465 1.00 0.00 C ATOM 536 CG PHE A 37 9.113 4.955 -3.244 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.262 5.453 -1.987 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.657 5.610 -4.304 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.987 6.657 -1.782 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.382 6.814 -4.099 1.00 0.00 C ATOM 541 CZ PHE A 37 10.531 7.312 -2.842 1.00 0.00 C ATOM 0 H PHE A 37 6.919 1.740 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 37 6.504 4.411 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.636 2.930 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.602 3.244 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.829 4.933 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.538 5.215 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.106 7.052 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.815 7.334 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.082 8.228 -2.686 1.00 0.00 H new ATOM 551 N ALA A 38 6.339 3.836 -5.767 1.00 0.00 N ATOM 552 CA ALA A 38 5.916 4.406 -7.036 1.00 0.00 C ATOM 553 C ALA A 38 4.496 4.956 -6.895 1.00 0.00 C ATOM 554 O ALA A 38 4.266 6.148 -7.092 1.00 0.00 O ATOM 555 CB ALA A 38 6.025 3.345 -8.133 1.00 0.00 C ATOM 0 H ALA A 38 6.622 2.857 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 38 6.563 5.236 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.708 3.772 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.059 3.009 -8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.386 2.498 -7.884 1.00 0.00 H new ATOM 561 N ALA A 39 3.580 4.061 -6.555 1.00 0.00 N ATOM 562 CA ALA A 39 2.188 4.442 -6.386 1.00 0.00 C ATOM 563 C ALA A 39 2.101 5.619 -5.412 1.00 0.00 C ATOM 564 O ALA A 39 1.615 6.691 -5.770 1.00 0.00 O ATOM 565 CB ALA A 39 1.381 3.232 -5.912 1.00 0.00 C ATOM 0 H ALA A 39 3.775 3.073 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 39 1.761 4.767 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.337 3.518 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.452 2.435 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.779 2.880 -4.960 1.00 0.00 H new ATOM 571 N ILE A 40 2.578 5.378 -4.199 1.00 0.00 N ATOM 572 CA ILE A 40 2.560 6.405 -3.171 1.00 0.00 C ATOM 573 C ILE A 40 2.918 7.754 -3.797 1.00 0.00 C ATOM 574 O ILE A 40 2.182 8.728 -3.646 1.00 0.00 O ATOM 575 CB ILE A 40 3.466 6.009 -2.003 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.927 4.768 -1.288 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.666 7.183 -1.042 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.725 5.120 -0.409 1.00 0.00 C ATOM 0 H ILE A 40 2.979 4.487 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 40 1.560 6.505 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 40 4.446 5.750 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.637 4.018 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.713 4.327 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.314 6.875 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.126 8.015 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.701 7.496 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.361 4.220 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.025 5.852 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.932 5.538 -1.028 1.00 0.00 H new ATOM 590 N VAL A 41 4.049 7.769 -4.487 1.00 0.00 N ATOM 591 CA VAL A 41 4.514 8.983 -5.137 1.00 0.00 C ATOM 592 C VAL A 41 3.382 9.567 -5.985 1.00 0.00 C ATOM 593 O VAL A 41 3.062 10.749 -5.868 1.00 0.00 O ATOM 594 CB VAL A 41 5.779 8.691 -5.947 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.010 9.769 -7.008 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.996 8.552 -5.031 1.00 0.00 C ATOM 0 H VAL A 41 4.657 6.960 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 41 4.786 9.734 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 41 5.637 7.740 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.915 9.538 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.158 9.799 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.121 10.739 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.882 8.345 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.142 9.479 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.833 7.733 -4.331 1.00 0.00 H new ATOM 606 N ALA A 42 2.809 8.713 -6.819 1.00 0.00 N ATOM 607 CA ALA A 42 1.720 9.130 -7.686 1.00 0.00 C ATOM 608 C ALA A 42 0.597 9.728 -6.835 1.00 0.00 C ATOM 609 O ALA A 42 0.237 10.892 -7.005 1.00 0.00 O ATOM 610 CB ALA A 42 1.247 7.939 -8.522 1.00 0.00 C ATOM 0 H ALA A 42 3.078 7.734 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 42 2.055 9.901 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.430 8.252 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.073 7.570 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.900 7.145 -7.861 1.00 0.00 H new ATOM 616 N TYR A 43 0.074 8.904 -5.939 1.00 0.00 N ATOM 617 CA TYR A 43 -1.001 9.336 -5.062 1.00 0.00 C ATOM 618 C TYR A 43 -0.725 10.734 -4.505 1.00 0.00 C ATOM 619 O TYR A 43 -1.503 11.660 -4.727 1.00 0.00 O ATOM 620 CB TYR A 43 -1.029 8.335 -3.905 1.00 0.00 C ATOM 621 CG TYR A 43 -2.295 8.410 -3.049 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.537 8.344 -3.647 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.195 8.543 -1.679 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.729 8.414 -2.841 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.386 8.613 -0.873 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.594 8.545 -1.494 1.00 0.00 C ATOM 627 OH TYR A 43 -5.720 8.611 -0.733 1.00 0.00 O ATOM 0 H TYR A 43 0.375 7.939 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.946 9.376 -5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.934 7.327 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.161 8.507 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.615 8.240 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.223 8.595 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.707 8.364 -3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.322 8.717 0.200 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.472 8.703 0.211 1.00 0.00 H new ATOM 637 N GLY A 44 0.387 10.843 -3.791 1.00 0.00 N ATOM 638 CA GLY A 44 0.775 12.112 -3.200 1.00 0.00 C ATOM 639 C GLY A 44 0.852 13.211 -4.262 1.00 0.00 C ATOM 640 O GLY A 44 0.462 14.350 -4.012 1.00 0.00 O ATOM 0 H GLY A 44 1.031 10.073 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.056 12.394 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.742 12.008 -2.709 1.00 0.00 H new ATOM 644 N LEU A 45 1.357 12.830 -5.427 1.00 0.00 N ATOM 645 CA LEU A 45 1.489 13.768 -6.528 1.00 0.00 C ATOM 646 C LEU A 45 0.109 14.318 -6.893 1.00 0.00 C ATOM 647 O LEU A 45 -0.059 15.526 -7.053 1.00 0.00 O ATOM 648 CB LEU A 45 2.222 13.116 -7.702 1.00 0.00 C ATOM 649 CG LEU A 45 2.614 14.049 -8.850 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.691 13.412 -9.731 1.00 0.00 C ATOM 651 CD2 LEU A 45 1.386 14.469 -9.660 1.00 0.00 C ATOM 0 H LEU A 45 1.679 11.884 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 45 2.103 14.619 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.126 12.641 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.591 12.323 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 45 3.042 14.955 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.951 14.096 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.577 13.206 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.313 12.480 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.693 15.132 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.906 13.584 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.683 14.991 -9.011 1.00 0.00 H new ATOM 663 N TYR A 46 -0.843 13.405 -7.014 1.00 0.00 N ATOM 664 CA TYR A 46 -2.204 13.784 -7.357 1.00 0.00 C ATOM 665 C TYR A 46 -2.872 14.532 -6.202 1.00 0.00 C ATOM 666 O TYR A 46 -3.535 15.546 -6.415 1.00 0.00 O ATOM 667 CB TYR A 46 -2.956 12.475 -7.604 1.00 0.00 C ATOM 668 CG TYR A 46 -4.309 12.656 -8.295 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.370 13.204 -7.602 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.470 12.271 -9.610 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.643 13.375 -8.252 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.743 12.441 -10.260 1.00 0.00 C ATOM 673 CZ TYR A 46 -6.767 12.985 -9.549 1.00 0.00 C ATOM 674 OH TYR A 46 -7.970 13.146 -10.163 1.00 0.00 O ATOM 0 H TYR A 46 -0.700 12.404 -6.881 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.212 14.441 -8.226 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.333 11.819 -8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.111 11.971 -6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.245 13.504 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.640 11.842 -10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.481 13.803 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.882 12.143 -11.289 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.911 12.825 -11.087 1.00 0.00 H new ATOM 684 N LYS A 47 -2.676 14.003 -5.003 1.00 0.00 N ATOM 685 CA LYS A 47 -3.252 14.608 -3.814 1.00 0.00 C ATOM 686 C LYS A 47 -2.809 16.070 -3.726 1.00 0.00 C ATOM 687 O LYS A 47 -3.625 16.955 -3.475 1.00 0.00 O ATOM 688 CB LYS A 47 -2.905 13.785 -2.572 1.00 0.00 C ATOM 689 CG LYS A 47 -4.104 12.951 -2.114 1.00 0.00 C ATOM 690 CD LYS A 47 -3.662 11.820 -1.184 1.00 0.00 C ATOM 691 CE LYS A 47 -3.720 12.261 0.280 1.00 0.00 C ATOM 692 NZ LYS A 47 -4.431 11.253 1.098 1.00 0.00 N ATOM 0 H LYS A 47 -2.126 13.162 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.340 14.607 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.063 13.128 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.591 14.450 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.821 13.591 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.614 12.534 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.303 10.951 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.647 11.513 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.710 12.402 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.227 13.223 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.067 11.277 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.449 11.466 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.278 10.307 0.694 1.00 0.00 H new ATOM 706 N LEU A 48 -1.518 16.278 -3.938 1.00 0.00 N ATOM 707 CA LEU A 48 -0.957 17.617 -3.885 1.00 0.00 C ATOM 708 C LEU A 48 -1.925 18.597 -4.552 1.00 0.00 C ATOM 709 O LEU A 48 -2.464 19.486 -3.894 1.00 0.00 O ATOM 710 CB LEU A 48 0.448 17.634 -4.490 1.00 0.00 C ATOM 711 CG LEU A 48 1.014 19.013 -4.835 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.348 19.802 -3.568 1.00 0.00 C ATOM 713 CD2 LEU A 48 2.219 18.893 -5.770 1.00 0.00 C ATOM 0 H LEU A 48 -0.844 15.541 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.838 17.939 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.129 17.148 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.439 17.030 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 48 0.246 19.573 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.748 20.778 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.444 19.935 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.090 19.256 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.602 19.887 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.999 18.307 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.915 18.399 -6.693 1.00 0.00 H new ATOM 725 N LYS A 49 -2.115 18.402 -5.848 1.00 0.00 N ATOM 726 CA LYS A 49 -3.008 19.257 -6.611 1.00 0.00 C ATOM 727 C LYS A 49 -4.453 18.985 -6.187 1.00 0.00 C ATOM 728 O LYS A 49 -4.883 17.834 -6.139 1.00 0.00 O ATOM 729 CB LYS A 49 -2.764 19.085 -8.111 1.00 0.00 C ATOM 730 CG LYS A 49 -2.377 20.415 -8.761 1.00 0.00 C ATOM 731 CD LYS A 49 -2.224 20.262 -10.275 1.00 0.00 C ATOM 732 CE LYS A 49 -0.752 20.317 -10.687 1.00 0.00 C ATOM 733 NZ LYS A 49 -0.487 21.522 -11.505 1.00 0.00 N ATOM 0 H LYS A 49 -1.665 17.664 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.805 20.306 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.972 18.354 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.663 18.692 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.137 21.165 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.442 20.775 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.659 19.315 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.777 21.053 -10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.120 20.327 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.493 19.422 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.517 21.544 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.076 21.497 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.715 22.373 -10.953 1.00 0.00 H new ATOM 747 N SER A 50 -5.162 20.064 -5.891 1.00 0.00 N ATOM 748 CA SER A 50 -6.550 19.956 -5.473 1.00 0.00 C ATOM 749 C SER A 50 -7.476 20.190 -6.668 1.00 0.00 C ATOM 750 O SER A 50 -7.550 21.300 -7.193 1.00 0.00 O ATOM 751 CB SER A 50 -6.867 20.950 -4.354 1.00 0.00 C ATOM 752 OG SER A 50 -7.183 22.243 -4.862 1.00 0.00 O ATOM 0 H SER A 50 -4.802 21.017 -5.932 1.00 0.00 H new ATOM 0 HA SER A 50 -6.713 18.950 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.705 20.577 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.012 21.024 -3.682 1.00 0.00 H new ATOM 0 HG SER A 50 -7.475 22.166 -5.794 1.00 0.00 H new ATOM 758 N ARG A 51 -8.159 19.126 -7.064 1.00 0.00 N ATOM 759 CA ARG A 51 -9.077 19.201 -8.188 1.00 0.00 C ATOM 760 C ARG A 51 -10.332 18.374 -7.903 1.00 0.00 C ATOM 761 O ARG A 51 -11.447 18.891 -7.962 1.00 0.00 O ATOM 762 CB ARG A 51 -8.419 18.692 -9.472 1.00 0.00 C ATOM 763 CG ARG A 51 -8.697 19.637 -10.642 1.00 0.00 C ATOM 764 CD ARG A 51 -7.647 20.747 -10.713 1.00 0.00 C ATOM 765 NE ARG A 51 -6.716 20.492 -11.835 1.00 0.00 N ATOM 766 CZ ARG A 51 -5.649 21.267 -12.124 1.00 0.00 C ATOM 767 NH1 ARG A 51 -5.369 22.354 -11.375 1.00 0.00 N ATOM 768 NH2 ARG A 51 -4.884 20.946 -13.151 1.00 0.00 N ATOM 0 H ARG A 51 -8.095 18.207 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.350 20.247 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.343 18.600 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.794 17.696 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.700 19.074 -11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.688 20.076 -10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.135 21.712 -10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.094 20.797 -9.775 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.892 19.680 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.965 22.595 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.561 22.934 -11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.103 20.123 -13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.074 21.521 -13.383 1.00 0.00 H new ATOM 782 N GLY A 52 -10.110 17.104 -7.601 1.00 0.00 N ATOM 783 CA GLY A 52 -11.209 16.200 -7.307 1.00 0.00 C ATOM 784 C GLY A 52 -11.554 16.223 -5.817 1.00 0.00 C ATOM 785 O GLY A 52 -11.222 17.176 -5.114 1.00 0.00 O ATOM 0 H GLY A 52 -9.184 16.679 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.084 16.484 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.941 15.187 -7.606 1.00 0.00 H new ATOM 789 N ASN A 53 -12.216 15.162 -5.379 1.00 0.00 N ATOM 790 CA ASN A 53 -12.610 15.048 -3.985 1.00 0.00 C ATOM 791 C ASN A 53 -12.040 13.753 -3.403 1.00 0.00 C ATOM 792 O ASN A 53 -12.077 12.708 -4.051 1.00 0.00 O ATOM 793 CB ASN A 53 -14.133 14.999 -3.845 1.00 0.00 C ATOM 794 CG ASN A 53 -14.569 15.428 -2.443 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.705 14.625 -1.534 1.00 0.00 O ATOM 796 ND2 ASN A 53 -14.780 16.735 -2.318 1.00 0.00 N ATOM 0 H ASN A 53 -12.490 14.373 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.227 15.919 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.591 15.652 -4.588 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.488 13.988 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.074 17.121 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.648 17.352 -3.119 1.00 0.00 H new ATOM 803 N THR A 54 -11.527 13.865 -2.186 1.00 0.00 N ATOM 804 CA THR A 54 -10.950 12.716 -1.509 1.00 0.00 C ATOM 805 C THR A 54 -10.627 13.061 -0.054 1.00 0.00 C ATOM 806 O THR A 54 -10.276 14.199 0.254 1.00 0.00 O ATOM 807 CB THR A 54 -9.729 12.259 -2.311 1.00 0.00 C ATOM 808 OG1 THR A 54 -9.250 11.123 -1.596 1.00 0.00 O ATOM 809 CG2 THR A 54 -8.574 13.259 -2.239 1.00 0.00 C ATOM 0 H THR A 54 -11.499 14.733 -1.652 1.00 0.00 H new ATOM 0 HA THR A 54 -11.656 11.887 -1.464 1.00 0.00 H new ATOM 0 HB THR A 54 -10.014 12.108 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.459 10.762 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.733 12.887 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.899 14.219 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.266 13.385 -1.201 1.00 0.00 H new ATOM 817 N LYS A 55 -10.757 12.058 0.801 1.00 0.00 N ATOM 818 CA LYS A 55 -10.484 12.241 2.216 1.00 0.00 C ATOM 819 C LYS A 55 -9.021 12.650 2.400 1.00 0.00 C ATOM 820 O LYS A 55 -8.142 11.796 2.503 1.00 0.00 O ATOM 821 CB LYS A 55 -10.875 10.989 3.004 1.00 0.00 C ATOM 822 CG LYS A 55 -12.361 11.013 3.369 1.00 0.00 C ATOM 823 CD LYS A 55 -12.649 12.083 4.424 1.00 0.00 C ATOM 824 CE LYS A 55 -13.573 11.540 5.517 1.00 0.00 C ATOM 825 NZ LYS A 55 -12.922 11.640 6.842 1.00 0.00 N ATOM 0 H LYS A 55 -11.048 11.116 0.541 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.095 13.048 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.656 10.100 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.275 10.924 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.955 11.208 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.663 10.036 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.713 12.422 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.109 12.951 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.509 12.099 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.824 10.501 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.562 11.268 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.041 11.087 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.705 12.636 7.048 1.00 0.00 H new ATOM 839 N MET A 56 -8.805 13.957 2.435 1.00 0.00 N ATOM 840 CA MET A 56 -7.464 14.490 2.605 1.00 0.00 C ATOM 841 C MET A 56 -7.448 15.615 3.641 1.00 0.00 C ATOM 842 O MET A 56 -8.496 16.154 3.993 1.00 0.00 O ATOM 843 CB MET A 56 -6.953 15.022 1.264 1.00 0.00 C ATOM 844 CG MET A 56 -7.782 16.221 0.799 1.00 0.00 C ATOM 845 SD MET A 56 -7.754 16.328 -0.983 1.00 0.00 S ATOM 846 CE MET A 56 -8.291 18.016 -1.200 1.00 0.00 C ATOM 0 H MET A 56 -9.536 14.663 2.348 1.00 0.00 H new ATOM 0 HA MET A 56 -6.816 13.688 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.907 15.313 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.997 14.232 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.809 16.121 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.385 17.139 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.330 18.252 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 56 -9.282 18.141 -0.764 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.589 18.687 -0.705 1.00 0.00 H new ATOM 856 N SER A 57 -6.247 15.937 4.100 1.00 0.00 N ATOM 857 CA SER A 57 -6.081 16.988 5.089 1.00 0.00 C ATOM 858 C SER A 57 -6.942 16.691 6.318 1.00 0.00 C ATOM 859 O SER A 57 -8.028 17.248 6.469 1.00 0.00 O ATOM 860 CB SER A 57 -6.443 18.355 4.505 1.00 0.00 C ATOM 861 OG SER A 57 -5.634 18.686 3.379 1.00 0.00 O ATOM 0 H SER A 57 -5.380 15.488 3.805 1.00 0.00 H new ATOM 0 HA SER A 57 -5.033 17.016 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.492 18.357 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.326 19.120 5.273 1.00 0.00 H new ATOM 0 HG SER A 57 -5.897 19.565 3.034 1.00 0.00 H new ATOM 867 N ILE A 58 -6.424 15.815 7.166 1.00 0.00 N ATOM 868 CA ILE A 58 -7.132 15.437 8.378 1.00 0.00 C ATOM 869 C ILE A 58 -6.366 15.960 9.594 1.00 0.00 C ATOM 870 O ILE A 58 -6.829 16.872 10.278 1.00 0.00 O ATOM 871 CB ILE A 58 -7.375 13.927 8.407 1.00 0.00 C ATOM 872 CG1 ILE A 58 -8.343 13.506 7.299 1.00 0.00 C ATOM 873 CG2 ILE A 58 -7.854 13.476 9.788 1.00 0.00 C ATOM 874 CD1 ILE A 58 -9.631 14.329 7.354 1.00 0.00 C ATOM 0 H ILE A 58 -5.522 15.356 7.038 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.120 15.896 8.401 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.427 13.424 8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.867 13.634 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.579 12.447 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.019 12.399 9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.098 13.723 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.786 13.985 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.301 14.010 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.117 14.180 8.318 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.394 15.385 7.227 1.00 0.00 H new ATOM 886 N HIS A 59 -5.207 15.361 9.827 1.00 0.00 N ATOM 887 CA HIS A 59 -4.373 15.755 10.950 1.00 0.00 C ATOM 888 C HIS A 59 -2.899 15.574 10.582 1.00 0.00 C ATOM 889 O HIS A 59 -2.220 14.709 11.132 1.00 0.00 O ATOM 890 CB HIS A 59 -4.767 14.990 12.214 1.00 0.00 C ATOM 891 CG HIS A 59 -5.967 15.562 12.930 1.00 0.00 C ATOM 892 ND1 HIS A 59 -5.921 16.748 13.642 1.00 0.00 N ATOM 893 CD2 HIS A 59 -7.247 15.100 13.034 1.00 0.00 C ATOM 894 CE1 HIS A 59 -7.123 16.979 14.149 1.00 0.00 C ATOM 895 NE2 HIS A 59 -7.943 15.956 13.771 1.00 0.00 N ATOM 0 H HIS A 59 -4.826 14.606 9.257 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.529 16.811 11.171 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.975 13.953 11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.919 14.980 12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.629 14.192 12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.404 17.828 14.755 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.929 15.864 14.015 1.00 0.00 H new ATOM 903 N LEU A 60 -2.448 16.404 9.653 1.00 0.00 N ATOM 904 CA LEU A 60 -1.067 16.347 9.205 1.00 0.00 C ATOM 905 C LEU A 60 -0.368 17.664 9.550 1.00 0.00 C ATOM 906 O LEU A 60 -1.009 18.712 9.617 1.00 0.00 O ATOM 907 CB LEU A 60 -0.999 15.985 7.720 1.00 0.00 C ATOM 908 CG LEU A 60 -1.223 17.137 6.739 1.00 0.00 C ATOM 909 CD1 LEU A 60 -0.315 16.998 5.515 1.00 0.00 C ATOM 910 CD2 LEU A 60 -2.698 17.247 6.348 1.00 0.00 C ATOM 0 H LEU A 60 -3.015 17.120 9.198 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.530 15.555 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.022 15.546 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.743 15.214 7.520 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.953 18.068 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.494 17.829 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.728 17.007 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.531 16.059 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.829 18.074 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.019 16.319 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.298 17.427 7.240 1.00 0.00 H new ATOM 922 N ILE A 61 0.937 17.568 9.758 1.00 0.00 N ATOM 923 CA ILE A 61 1.729 18.739 10.094 1.00 0.00 C ATOM 924 C ILE A 61 2.460 19.230 8.843 1.00 0.00 C ATOM 925 O ILE A 61 3.689 19.290 8.821 1.00 0.00 O ATOM 926 CB ILE A 61 2.659 18.437 11.271 1.00 0.00 C ATOM 927 CG1 ILE A 61 3.287 19.721 11.817 1.00 0.00 C ATOM 928 CG2 ILE A 61 3.717 17.402 10.883 1.00 0.00 C ATOM 929 CD1 ILE A 61 2.345 20.416 12.802 1.00 0.00 C ATOM 0 H ILE A 61 1.466 16.698 9.700 1.00 0.00 H new ATOM 0 HA ILE A 61 1.085 19.552 10.428 1.00 0.00 H new ATOM 0 HB ILE A 61 2.063 18.003 12.074 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.229 19.487 12.313 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.519 20.395 10.993 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.365 17.206 11.738 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.227 16.477 10.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.314 17.785 10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.815 21.326 13.175 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.413 20.670 12.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.134 19.748 13.637 1.00 0.00 H new ATOM 941 N HIS A 62 1.674 19.569 7.832 1.00 0.00 N ATOM 942 CA HIS A 62 2.231 20.053 6.580 1.00 0.00 C ATOM 943 C HIS A 62 3.229 19.031 6.033 1.00 0.00 C ATOM 944 O HIS A 62 3.562 18.059 6.710 1.00 0.00 O ATOM 945 CB HIS A 62 2.845 21.443 6.761 1.00 0.00 C ATOM 946 CG HIS A 62 1.893 22.466 7.331 1.00 0.00 C ATOM 947 ND1 HIS A 62 2.307 23.500 8.152 1.00 0.00 N ATOM 948 CD2 HIS A 62 0.543 22.604 7.189 1.00 0.00 C ATOM 949 CE1 HIS A 62 1.246 24.221 8.485 1.00 0.00 C ATOM 950 NE2 HIS A 62 0.154 23.663 7.888 1.00 0.00 N ATOM 0 H HIS A 62 0.656 19.518 7.854 1.00 0.00 H new ATOM 0 HA HIS A 62 1.436 20.163 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.712 21.363 7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.207 21.797 5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.100 21.961 6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.246 25.096 9.118 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.804 24.004 7.966 1.00 0.00 H new ATOM 958 N MET A 63 3.678 19.284 4.812 1.00 0.00 N ATOM 959 CA MET A 63 4.631 18.397 4.166 1.00 0.00 C ATOM 960 C MET A 63 4.024 17.011 3.942 1.00 0.00 C ATOM 961 O MET A 63 3.466 16.417 4.863 1.00 0.00 O ATOM 962 CB MET A 63 5.883 18.273 5.036 1.00 0.00 C ATOM 963 CG MET A 63 7.136 18.667 4.252 1.00 0.00 C ATOM 964 SD MET A 63 8.161 17.231 3.977 1.00 0.00 S ATOM 965 CE MET A 63 9.168 17.823 2.627 1.00 0.00 C ATOM 0 H MET A 63 3.399 20.091 4.253 1.00 0.00 H new ATOM 0 HA MET A 63 4.893 18.819 3.196 1.00 0.00 H new ATOM 0 HB2 MET A 63 5.784 18.910 5.915 1.00 0.00 H new ATOM 0 HB3 MET A 63 5.981 17.248 5.395 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.853 19.110 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.696 19.424 4.801 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.870 17.045 2.328 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.529 18.080 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.721 18.707 2.946 1.00 0.00 H new ATOM 975 N ARG A 64 4.155 16.535 2.713 1.00 0.00 N ATOM 976 CA ARG A 64 3.627 15.229 2.356 1.00 0.00 C ATOM 977 C ARG A 64 4.676 14.144 2.611 1.00 0.00 C ATOM 978 O ARG A 64 4.378 13.119 3.222 1.00 0.00 O ATOM 979 CB ARG A 64 3.209 15.187 0.885 1.00 0.00 C ATOM 980 CG ARG A 64 1.840 15.842 0.685 1.00 0.00 C ATOM 981 CD ARG A 64 1.027 15.099 -0.377 1.00 0.00 C ATOM 982 NE ARG A 64 -0.202 15.859 -0.696 1.00 0.00 N ATOM 983 CZ ARG A 64 -1.360 15.747 -0.010 1.00 0.00 C ATOM 984 NH1 ARG A 64 -1.456 14.904 1.040 1.00 0.00 N ATOM 985 NH2 ARG A 64 -2.397 16.474 -0.383 1.00 0.00 N ATOM 0 H ARG A 64 4.619 17.030 1.952 1.00 0.00 H new ATOM 0 HA ARG A 64 2.750 15.045 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.954 15.700 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.175 14.153 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.294 15.847 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.971 16.882 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.626 14.965 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.766 14.104 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.173 16.508 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.650 14.345 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.334 14.826 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.316 17.108 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.279 16.402 0.124 1.00 0.00 H new ATOM 999 N VAL A 65 5.882 14.408 2.131 1.00 0.00 N ATOM 1000 CA VAL A 65 6.977 13.467 2.300 1.00 0.00 C ATOM 1001 C VAL A 65 6.958 12.921 3.729 1.00 0.00 C ATOM 1002 O VAL A 65 6.874 11.711 3.934 1.00 0.00 O ATOM 1003 CB VAL A 65 8.303 14.136 1.934 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.489 13.253 2.327 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.348 14.484 0.445 1.00 0.00 C ATOM 0 H VAL A 65 6.125 15.260 1.625 1.00 0.00 H new ATOM 0 HA VAL A 65 6.859 12.619 1.626 1.00 0.00 H new ATOM 0 HB VAL A 65 8.377 15.066 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.420 13.752 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.471 13.078 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.422 12.300 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.301 14.958 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.241 13.574 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.534 15.168 0.207 1.00 0.00 H new ATOM 1015 N ALA A 66 7.037 13.839 4.681 1.00 0.00 N ATOM 1016 CA ALA A 66 7.030 13.464 6.085 1.00 0.00 C ATOM 1017 C ALA A 66 5.867 12.505 6.347 1.00 0.00 C ATOM 1018 O ALA A 66 6.076 11.375 6.783 1.00 0.00 O ATOM 1019 CB ALA A 66 6.953 14.724 6.949 1.00 0.00 C ATOM 0 H ALA A 66 7.106 14.842 4.508 1.00 0.00 H new ATOM 0 HA ALA A 66 7.951 12.944 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.948 14.443 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.817 15.357 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.040 15.271 6.715 1.00 0.00 H new ATOM 1025 N ALA A 67 4.666 12.993 6.069 1.00 0.00 N ATOM 1026 CA ALA A 67 3.470 12.193 6.269 1.00 0.00 C ATOM 1027 C ALA A 67 3.648 10.836 5.585 1.00 0.00 C ATOM 1028 O ALA A 67 3.101 9.832 6.038 1.00 0.00 O ATOM 1029 CB ALA A 67 2.252 12.956 5.742 1.00 0.00 C ATOM 0 H ALA A 67 4.496 13.932 5.707 1.00 0.00 H new ATOM 0 HA ALA A 67 3.306 12.008 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.354 12.356 5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.153 13.899 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.381 13.157 4.678 1.00 0.00 H new ATOM 1035 N GLN A 68 4.416 10.850 4.505 1.00 0.00 N ATOM 1036 CA GLN A 68 4.673 9.633 3.754 1.00 0.00 C ATOM 1037 C GLN A 68 5.519 8.665 4.585 1.00 0.00 C ATOM 1038 O GLN A 68 5.264 7.462 4.593 1.00 0.00 O ATOM 1039 CB GLN A 68 5.351 9.945 2.419 1.00 0.00 C ATOM 1040 CG GLN A 68 4.610 9.277 1.258 1.00 0.00 C ATOM 1041 CD GLN A 68 5.473 9.258 -0.005 1.00 0.00 C ATOM 1042 OE1 GLN A 68 5.267 10.013 -0.940 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.449 8.354 0.021 1.00 0.00 N ATOM 0 H GLN A 68 4.868 11.685 4.132 1.00 0.00 H new ATOM 0 HA GLN A 68 3.718 9.156 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.379 11.024 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.384 9.599 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.339 8.258 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.681 9.811 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.566 7.753 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.081 8.262 -0.775 1.00 0.00 H new ATOM 1052 N GLY A 69 6.508 9.227 5.264 1.00 0.00 N ATOM 1053 CA GLY A 69 7.393 8.430 6.096 1.00 0.00 C ATOM 1054 C GLY A 69 6.647 7.867 7.307 1.00 0.00 C ATOM 1055 O GLY A 69 6.928 6.755 7.753 1.00 0.00 O ATOM 0 H GLY A 69 6.716 10.226 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.811 7.612 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.230 9.041 6.432 1.00 0.00 H new ATOM 1059 N PHE A 70 5.710 8.660 7.805 1.00 0.00 N ATOM 1060 CA PHE A 70 4.921 8.255 8.957 1.00 0.00 C ATOM 1061 C PHE A 70 4.017 7.070 8.612 1.00 0.00 C ATOM 1062 O PHE A 70 4.031 6.052 9.304 1.00 0.00 O ATOM 1063 CB PHE A 70 4.049 9.451 9.344 1.00 0.00 C ATOM 1064 CG PHE A 70 3.826 9.596 10.851 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.815 10.095 11.640 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.638 9.225 11.401 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.608 10.229 13.038 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.432 9.360 12.800 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.421 9.859 13.589 1.00 0.00 C ATOM 0 H PHE A 70 5.479 9.581 7.432 1.00 0.00 H new ATOM 0 HA PHE A 70 5.579 7.951 9.771 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.512 10.363 8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.081 9.357 8.851 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.758 10.389 11.203 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.853 8.828 10.775 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.394 10.625 13.664 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.489 9.066 13.237 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.264 9.961 14.653 1.00 0.00 H new ATOM 1079 N VAL A 71 3.253 7.240 7.544 1.00 0.00 N ATOM 1080 CA VAL A 71 2.344 6.197 7.099 1.00 0.00 C ATOM 1081 C VAL A 71 3.153 4.975 6.660 1.00 0.00 C ATOM 1082 O VAL A 71 2.780 3.841 6.954 1.00 0.00 O ATOM 1083 CB VAL A 71 1.428 6.735 5.998 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.620 7.936 6.494 1.00 0.00 C ATOM 1085 CG2 VAL A 71 2.230 7.094 4.745 1.00 0.00 C ATOM 0 H VAL A 71 3.244 8.085 6.973 1.00 0.00 H new ATOM 0 HA VAL A 71 1.696 5.881 7.916 1.00 0.00 H new ATOM 0 HB VAL A 71 0.725 5.946 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.023 8.299 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.006 7.636 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.300 8.730 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.555 7.474 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.967 7.859 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.740 6.206 4.372 1.00 0.00 H new ATOM 1095 N VAL A 72 4.246 5.248 5.963 1.00 0.00 N ATOM 1096 CA VAL A 72 5.111 4.185 5.480 1.00 0.00 C ATOM 1097 C VAL A 72 5.601 3.354 6.668 1.00 0.00 C ATOM 1098 O VAL A 72 5.662 2.128 6.589 1.00 0.00 O ATOM 1099 CB VAL A 72 6.254 4.776 4.652 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.486 3.869 4.693 1.00 0.00 C ATOM 1101 CG2 VAL A 72 5.810 5.033 3.211 1.00 0.00 C ATOM 0 H VAL A 72 4.553 6.190 5.721 1.00 0.00 H new ATOM 0 HA VAL A 72 4.561 3.515 4.819 1.00 0.00 H new ATOM 0 HB VAL A 72 6.528 5.734 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.284 4.312 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.822 3.758 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.231 2.890 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.641 5.453 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.496 4.094 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.976 5.735 3.207 1.00 0.00 H new ATOM 1111 N GLY A 73 5.938 4.054 7.741 1.00 0.00 N ATOM 1112 CA GLY A 73 6.421 3.396 8.943 1.00 0.00 C ATOM 1113 C GLY A 73 5.341 2.496 9.546 1.00 0.00 C ATOM 1114 O GLY A 73 5.570 1.308 9.767 1.00 0.00 O ATOM 0 H GLY A 73 5.886 5.071 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.304 2.802 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.726 4.145 9.674 1.00 0.00 H new ATOM 1118 N ALA A 74 4.187 3.097 9.797 1.00 0.00 N ATOM 1119 CA ALA A 74 3.071 2.365 10.371 1.00 0.00 C ATOM 1120 C ALA A 74 2.741 1.166 9.479 1.00 0.00 C ATOM 1121 O ALA A 74 2.431 0.084 9.977 1.00 0.00 O ATOM 1122 CB ALA A 74 1.878 3.307 10.546 1.00 0.00 C ATOM 0 H ALA A 74 4.001 4.083 9.613 1.00 0.00 H new ATOM 0 HA ALA A 74 3.331 1.981 11.358 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.041 2.758 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.155 4.126 11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.587 3.710 9.576 1.00 0.00 H new ATOM 1128 N MET A 75 2.819 1.398 8.177 1.00 0.00 N ATOM 1129 CA MET A 75 2.532 0.351 7.212 1.00 0.00 C ATOM 1130 C MET A 75 3.625 -0.719 7.223 1.00 0.00 C ATOM 1131 O MET A 75 3.351 -1.895 6.990 1.00 0.00 O ATOM 1132 CB MET A 75 2.428 0.960 5.813 1.00 0.00 C ATOM 1133 CG MET A 75 1.376 0.231 4.974 1.00 0.00 C ATOM 1134 SD MET A 75 0.512 1.395 3.932 1.00 0.00 S ATOM 1135 CE MET A 75 -1.153 1.174 4.534 1.00 0.00 C ATOM 0 H MET A 75 3.077 2.296 7.768 1.00 0.00 H new ATOM 0 HA MET A 75 1.587 -0.119 7.484 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.169 2.016 5.891 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.396 0.905 5.316 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.854 -0.533 4.361 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.668 -0.280 5.627 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.828 1.832 3.987 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.458 0.138 4.388 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.191 1.417 5.596 1.00 0.00 H new ATOM 1145 N THR A 76 4.843 -0.273 7.495 1.00 0.00 N ATOM 1146 CA THR A 76 5.979 -1.177 7.539 1.00 0.00 C ATOM 1147 C THR A 76 5.811 -2.190 8.674 1.00 0.00 C ATOM 1148 O THR A 76 5.938 -3.395 8.459 1.00 0.00 O ATOM 1149 CB THR A 76 7.250 -0.334 7.661 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.431 0.211 6.357 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.500 -1.188 7.885 1.00 0.00 C ATOM 0 H THR A 76 5.067 0.703 7.687 1.00 0.00 H new ATOM 0 HA THR A 76 6.050 -1.768 6.626 1.00 0.00 H new ATOM 0 HB THR A 76 7.140 0.371 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.745 0.891 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.373 -0.541 7.965 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.389 -1.762 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.630 -1.871 7.045 1.00 0.00 H new ATOM 1159 N VAL A 77 5.528 -1.664 9.856 1.00 0.00 N ATOM 1160 CA VAL A 77 5.341 -2.507 11.025 1.00 0.00 C ATOM 1161 C VAL A 77 4.055 -3.320 10.861 1.00 0.00 C ATOM 1162 O VAL A 77 4.059 -4.537 11.042 1.00 0.00 O ATOM 1163 CB VAL A 77 5.350 -1.653 12.294 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.675 -0.900 12.438 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.165 -0.686 12.312 1.00 0.00 C ATOM 0 H VAL A 77 5.424 -0.664 10.030 1.00 0.00 H new ATOM 0 HA VAL A 77 6.164 -3.215 11.121 1.00 0.00 H new ATOM 0 HB VAL A 77 5.250 -2.321 13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.656 -0.300 13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.496 -1.615 12.492 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.818 -0.248 11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.195 -0.091 13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.221 -0.026 11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.234 -1.251 12.278 1.00 0.00 H new ATOM 1175 N GLY A 78 2.986 -2.615 10.521 1.00 0.00 N ATOM 1176 CA GLY A 78 1.696 -3.257 10.331 1.00 0.00 C ATOM 1177 C GLY A 78 1.808 -4.439 9.367 1.00 0.00 C ATOM 1178 O GLY A 78 1.342 -5.537 9.668 1.00 0.00 O ATOM 0 H GLY A 78 2.986 -1.606 10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.312 -3.602 11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.979 -2.533 9.943 1.00 0.00 H new ATOM 1182 N MET A 79 2.430 -4.174 8.227 1.00 0.00 N ATOM 1183 CA MET A 79 2.609 -5.203 7.216 1.00 0.00 C ATOM 1184 C MET A 79 3.475 -6.347 7.746 1.00 0.00 C ATOM 1185 O MET A 79 3.115 -7.516 7.614 1.00 0.00 O ATOM 1186 CB MET A 79 3.270 -4.593 5.978 1.00 0.00 C ATOM 1187 CG MET A 79 3.134 -5.522 4.770 1.00 0.00 C ATOM 1188 SD MET A 79 1.570 -5.243 3.957 1.00 0.00 S ATOM 1189 CE MET A 79 2.027 -5.608 2.271 1.00 0.00 C ATOM 0 H MET A 79 2.816 -3.262 7.981 1.00 0.00 H new ATOM 0 HA MET A 79 1.630 -5.604 6.955 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.812 -3.630 5.754 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.325 -4.405 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.952 -5.346 4.072 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.206 -6.561 5.090 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.159 -5.482 1.623 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.818 -4.929 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.383 -6.636 2.205 1.00 0.00 H new ATOM 1199 N GLY A 80 4.601 -5.971 8.334 1.00 0.00 N ATOM 1200 CA GLY A 80 5.522 -6.951 8.885 1.00 0.00 C ATOM 1201 C GLY A 80 4.788 -7.948 9.784 1.00 0.00 C ATOM 1202 O GLY A 80 5.078 -9.143 9.759 1.00 0.00 O ATOM 0 H GLY A 80 4.897 -5.001 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.019 -7.484 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.299 -6.444 9.457 1.00 0.00 H new ATOM 1206 N TYR A 81 3.852 -7.419 10.559 1.00 0.00 N ATOM 1207 CA TYR A 81 3.075 -8.247 11.465 1.00 0.00 C ATOM 1208 C TYR A 81 1.859 -8.845 10.755 1.00 0.00 C ATOM 1209 O TYR A 81 1.290 -9.833 11.215 1.00 0.00 O ATOM 1210 CB TYR A 81 2.593 -7.316 12.579 1.00 0.00 C ATOM 1211 CG TYR A 81 2.074 -8.046 13.819 1.00 0.00 C ATOM 1212 CD1 TYR A 81 2.884 -8.948 14.478 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.796 -7.801 14.280 1.00 0.00 C ATOM 1214 CE1 TYR A 81 2.396 -9.635 15.646 1.00 0.00 C ATOM 1215 CE2 TYR A 81 0.308 -8.488 15.448 1.00 0.00 C ATOM 1216 CZ TYR A 81 1.132 -9.371 16.073 1.00 0.00 C ATOM 1217 OH TYR A 81 0.671 -10.020 17.176 1.00 0.00 O ATOM 0 H TYR A 81 3.615 -6.427 10.578 1.00 0.00 H new ATOM 0 HA TYR A 81 3.678 -9.073 11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.414 -6.662 12.872 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.801 -6.678 12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.884 -9.139 14.118 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.162 -7.094 13.765 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.020 -10.344 16.171 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.690 -8.306 15.819 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.228 -9.697 17.394 1.00 0.00 H new ATOM 1227 N SER A 82 1.496 -8.220 9.644 1.00 0.00 N ATOM 1228 CA SER A 82 0.357 -8.678 8.865 1.00 0.00 C ATOM 1229 C SER A 82 -0.764 -9.137 9.799 1.00 0.00 C ATOM 1230 O SER A 82 -1.031 -10.332 9.914 1.00 0.00 O ATOM 1231 CB SER A 82 0.758 -9.811 7.919 1.00 0.00 C ATOM 1232 OG SER A 82 -0.186 -9.985 6.865 1.00 0.00 O ATOM 0 H SER A 82 1.970 -7.400 9.265 1.00 0.00 H new ATOM 0 HA SER A 82 -0.002 -7.846 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.740 -9.599 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.848 -10.740 8.483 1.00 0.00 H new ATOM 0 HG SER A 82 0.106 -10.716 6.282 1.00 0.00 H new ATOM 1238 N MET A 83 -1.391 -8.163 10.442 1.00 0.00 N ATOM 1239 CA MET A 83 -2.478 -8.452 11.362 1.00 0.00 C ATOM 1240 C MET A 83 -2.138 -9.646 12.256 1.00 0.00 C ATOM 1241 O MET A 83 -0.989 -10.085 12.300 1.00 0.00 O ATOM 1242 CB MET A 83 -3.752 -8.754 10.569 1.00 0.00 C ATOM 1243 CG MET A 83 -3.613 -10.062 9.788 1.00 0.00 C ATOM 1244 SD MET A 83 -5.222 -10.639 9.274 1.00 0.00 S ATOM 1245 CE MET A 83 -4.750 -11.725 7.938 1.00 0.00 C ATOM 0 H MET A 83 -1.167 -7.173 10.344 1.00 0.00 H new ATOM 0 HA MET A 83 -2.633 -7.580 11.997 1.00 0.00 H new ATOM 0 HB2 MET A 83 -4.601 -8.821 11.249 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.959 -7.935 9.880 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.977 -9.909 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.128 -10.816 10.408 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.642 -12.173 7.501 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.220 -11.155 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.099 -12.511 8.321 1.00 0.00 H new ATOM 1255 N TYR A 84 -3.156 -10.139 12.945 1.00 0.00 N ATOM 1256 CA TYR A 84 -2.979 -11.274 13.834 1.00 0.00 C ATOM 1257 C TYR A 84 -3.228 -12.592 13.098 1.00 0.00 C ATOM 1258 O TYR A 84 -4.368 -13.043 12.994 1.00 0.00 O ATOM 1259 CB TYR A 84 -4.027 -11.113 14.937 1.00 0.00 C ATOM 1260 CG TYR A 84 -3.479 -10.518 16.235 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -3.407 -9.148 16.390 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -3.056 -11.350 17.252 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -2.890 -8.588 17.612 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -2.540 -10.790 18.474 1.00 0.00 C ATOM 1265 CZ TYR A 84 -2.482 -9.436 18.593 1.00 0.00 C ATOM 1266 OH TYR A 84 -1.995 -8.907 19.747 1.00 0.00 O ATOM 0 H TYR A 84 -4.107 -9.773 12.905 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.962 -11.300 14.224 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.832 -10.476 14.569 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.465 -12.088 15.153 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.738 -8.496 15.595 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.112 -12.422 17.131 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.828 -7.518 17.746 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.207 -11.430 19.278 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.743 -9.631 20.358 1.00 0.00 H new ATOM 1276 N ARG A 85 -2.144 -13.172 12.606 1.00 0.00 N ATOM 1277 CA ARG A 85 -2.230 -14.429 11.883 1.00 0.00 C ATOM 1278 C ARG A 85 -0.830 -14.985 11.615 1.00 0.00 C ATOM 1279 O ARG A 85 -0.531 -16.124 11.971 1.00 0.00 O ATOM 1280 CB ARG A 85 -2.964 -14.250 10.553 1.00 0.00 C ATOM 1281 CG ARG A 85 -2.986 -15.557 9.758 1.00 0.00 C ATOM 1282 CD ARG A 85 -2.520 -15.331 8.318 1.00 0.00 C ATOM 1283 NE ARG A 85 -1.241 -16.039 8.084 1.00 0.00 N ATOM 1284 CZ ARG A 85 -1.097 -17.380 8.143 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -2.152 -18.171 8.430 1.00 0.00 N ATOM 1286 NH2 ARG A 85 0.093 -17.906 7.916 1.00 0.00 N ATOM 0 H ARG A 85 -1.201 -12.794 12.694 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.790 -15.130 12.502 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.985 -13.916 10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.476 -13.472 9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.342 -16.292 10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.995 -15.969 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.277 -15.690 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.395 -14.265 8.130 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.417 -15.479 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.068 -17.757 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.034 -19.183 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.885 -17.301 7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.220 -18.917 7.957 1.00 0.00 H new ATOM 1300 N GLU A 86 -0.009 -14.155 10.988 1.00 0.00 N ATOM 1301 CA GLU A 86 1.352 -14.549 10.667 1.00 0.00 C ATOM 1302 C GLU A 86 2.243 -14.437 11.907 1.00 0.00 C ATOM 1303 O GLU A 86 2.642 -13.339 12.291 1.00 0.00 O ATOM 1304 CB GLU A 86 1.909 -13.711 9.515 1.00 0.00 C ATOM 1305 CG GLU A 86 2.584 -14.599 8.468 1.00 0.00 C ATOM 1306 CD GLU A 86 3.685 -13.835 7.729 1.00 0.00 C ATOM 1307 OE1 GLU A 86 3.470 -12.688 7.311 1.00 0.00 O ATOM 1308 OE2 GLU A 86 4.798 -14.475 7.597 1.00 0.00 O ATOM 0 H GLU A 86 -0.260 -13.211 10.694 1.00 0.00 H new ATOM 0 HA GLU A 86 1.341 -15.590 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.103 -13.143 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.627 -12.987 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.009 -15.479 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.841 -14.955 7.754 1.00 0.00 H new ATOM 1315 N PHE A 87 2.528 -15.589 12.497 1.00 0.00 N ATOM 1316 CA PHE A 87 3.364 -15.634 13.684 1.00 0.00 C ATOM 1317 C PHE A 87 4.765 -16.149 13.349 1.00 0.00 C ATOM 1318 O PHE A 87 4.986 -17.357 13.278 1.00 0.00 O ATOM 1319 CB PHE A 87 2.698 -16.603 14.663 1.00 0.00 C ATOM 1320 CG PHE A 87 2.923 -16.252 16.135 1.00 0.00 C ATOM 1321 CD1 PHE A 87 4.042 -16.687 16.775 1.00 0.00 C ATOM 1322 CD2 PHE A 87 2.005 -15.504 16.805 1.00 0.00 C ATOM 1323 CE1 PHE A 87 4.251 -16.362 18.141 1.00 0.00 C ATOM 1324 CE2 PHE A 87 2.214 -15.179 18.171 1.00 0.00 C ATOM 1325 CZ PHE A 87 3.332 -15.614 18.810 1.00 0.00 C ATOM 0 H PHE A 87 2.195 -16.498 12.175 1.00 0.00 H new ATOM 0 HA PHE A 87 3.465 -14.634 14.106 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.626 -16.624 14.465 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.077 -17.608 14.478 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.772 -17.280 16.244 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.117 -15.157 16.297 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.139 -16.708 18.649 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.485 -14.586 18.703 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.491 -15.366 19.849 1.00 0.00 H new ATOM 1335 N TRP A 88 5.676 -15.207 13.152 1.00 0.00 N ATOM 1336 CA TRP A 88 7.050 -15.551 12.826 1.00 0.00 C ATOM 1337 C TRP A 88 7.970 -14.608 13.603 1.00 0.00 C ATOM 1338 O TRP A 88 8.720 -15.045 14.475 1.00 0.00 O ATOM 1339 CB TRP A 88 7.283 -15.503 11.315 1.00 0.00 C ATOM 1340 CG TRP A 88 7.821 -16.808 10.726 1.00 0.00 C ATOM 1341 CD1 TRP A 88 9.076 -17.086 10.345 1.00 0.00 C ATOM 1342 CD2 TRP A 88 7.066 -18.010 10.465 1.00 0.00 C ATOM 1343 NE1 TRP A 88 9.183 -18.374 9.860 1.00 0.00 N ATOM 1344 CE2 TRP A 88 7.922 -18.953 9.935 1.00 0.00 C ATOM 1345 CE3 TRP A 88 5.703 -18.290 10.671 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 7.512 -20.240 9.567 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 5.309 -19.581 10.297 1.00 0.00 C ATOM 1348 CH2 TRP A 88 6.159 -20.542 9.762 1.00 0.00 C ATOM 0 H TRP A 88 5.490 -14.206 13.212 1.00 0.00 H new ATOM 0 HA TRP A 88 7.272 -16.576 13.122 1.00 0.00 H new ATOM 0 HB2 TRP A 88 6.344 -15.253 10.821 1.00 0.00 H new ATOM 0 HB3 TRP A 88 7.984 -14.699 11.091 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.899 -16.390 10.409 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.032 -18.819 9.511 1.00 0.00 H new ATOM 0 HE3 TRP A 88 5.015 -17.567 11.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.202 -20.961 9.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 4.272 -19.849 10.434 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.777 -21.517 9.498 1.00 0.00 H new ATOM 1359 N ALA A 89 7.883 -13.331 13.260 1.00 0.00 N ATOM 1360 CA ALA A 89 8.699 -12.322 13.914 1.00 0.00 C ATOM 1361 C ALA A 89 10.176 -12.609 13.637 1.00 0.00 C ATOM 1362 O ALA A 89 10.727 -13.587 14.140 1.00 0.00 O ATOM 1363 CB ALA A 89 8.380 -12.300 15.411 1.00 0.00 C ATOM 0 H ALA A 89 7.259 -12.972 12.537 1.00 0.00 H new ATOM 0 HA ALA A 89 8.476 -11.331 13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.992 -11.543 15.902 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.326 -12.064 15.555 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.595 -13.277 15.843 1.00 0.00 H new ATOM 1369 N LYS A 90 10.775 -11.738 12.839 1.00 0.00 N ATOM 1370 CA LYS A 90 12.178 -11.885 12.489 1.00 0.00 C ATOM 1371 C LYS A 90 13.014 -11.945 13.769 1.00 0.00 C ATOM 1372 O LYS A 90 13.165 -10.941 14.464 1.00 0.00 O ATOM 1373 CB LYS A 90 12.608 -10.778 11.524 1.00 0.00 C ATOM 1374 CG LYS A 90 12.418 -11.214 10.070 1.00 0.00 C ATOM 1375 CD LYS A 90 13.212 -10.316 9.120 1.00 0.00 C ATOM 1376 CE LYS A 90 13.378 -10.977 7.750 1.00 0.00 C ATOM 1377 NZ LYS A 90 13.554 -9.952 6.698 1.00 0.00 N ATOM 0 H LYS A 90 10.315 -10.928 12.424 1.00 0.00 H new ATOM 0 HA LYS A 90 12.342 -12.822 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.026 -9.877 11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.654 -10.525 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.740 -12.249 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.360 -11.178 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.702 -9.360 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.192 -10.106 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.240 -11.644 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.504 -11.589 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.665 -10.418 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.720 -9.332 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.401 -9.385 6.904 1.00 0.00 H new ATOM 1391 N PRO A 91 13.551 -13.163 14.048 1.00 0.00 N ATOM 1392 CA PRO A 91 14.368 -13.366 15.232 1.00 0.00 C ATOM 1393 C PRO A 91 15.760 -12.757 15.049 1.00 0.00 C ATOM 1394 O PRO A 91 16.326 -12.201 15.988 1.00 0.00 O ATOM 1395 CB PRO A 91 14.401 -14.873 15.432 1.00 0.00 C ATOM 1396 CG PRO A 91 13.994 -15.480 14.100 1.00 0.00 C ATOM 1397 CD PRO A 91 13.394 -14.373 13.248 1.00 0.00 C ATOM 0 HA PRO A 91 13.963 -12.868 16.113 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.397 -15.206 15.725 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.717 -15.177 16.225 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.857 -15.920 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.270 -16.281 14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.910 -14.285 12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.345 -14.568 13.027 1.00 0.00 H new ATOM 1405 N LYS A 92 16.270 -12.882 13.833 1.00 0.00 N ATOM 1406 CA LYS A 92 17.585 -12.351 13.514 1.00 0.00 C ATOM 1407 C LYS A 92 17.667 -10.895 13.977 1.00 0.00 C ATOM 1408 O LYS A 92 16.643 -10.236 14.151 1.00 0.00 O ATOM 1409 CB LYS A 92 17.895 -12.543 12.028 1.00 0.00 C ATOM 1410 CG LYS A 92 18.292 -13.991 11.733 1.00 0.00 C ATOM 1411 CD LYS A 92 17.677 -14.470 10.417 1.00 0.00 C ATOM 1412 CE LYS A 92 16.364 -15.215 10.664 1.00 0.00 C ATOM 1413 NZ LYS A 92 16.608 -16.668 10.793 1.00 0.00 N ATOM 0 H LYS A 92 15.797 -13.343 13.056 1.00 0.00 H new ATOM 0 HA LYS A 92 18.359 -12.901 14.050 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.022 -12.273 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.702 -11.873 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.378 -14.071 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.963 -14.635 12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.497 -13.616 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.379 -15.125 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.890 -14.838 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.673 -15.028 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.706 -17.158 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.040 -17.027 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.250 -16.843 11.592 1.00 0.00 H new ATOM 1427 N PRO A 93 18.928 -10.422 14.166 1.00 0.00 N ATOM 1428 CA PRO A 93 19.157 -9.056 14.605 1.00 0.00 C ATOM 1429 C PRO A 93 18.921 -8.066 13.463 1.00 0.00 C ATOM 1430 O PRO A 93 19.447 -8.244 12.365 1.00 0.00 O ATOM 1431 CB PRO A 93 20.588 -9.042 15.117 1.00 0.00 C ATOM 1432 CG PRO A 93 21.256 -10.271 14.521 1.00 0.00 C ATOM 1433 CD PRO A 93 20.164 -11.173 13.969 1.00 0.00 C ATOM 0 HA PRO A 93 18.465 -8.744 15.387 1.00 0.00 H new ATOM 0 HB2 PRO A 93 21.103 -8.131 14.812 1.00 0.00 H new ATOM 0 HB3 PRO A 93 20.613 -9.073 16.206 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.949 -9.983 13.731 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.837 -10.795 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.329 -11.395 12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.135 -12.127 14.495 1.00 0.00 H new TER 1441 PRO A 93