USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 175:sc= 1.35 (180deg=0.758) USER MOD Set 1.2: A 78 TYR OH : rot 33:sc= 0.632 USER MOD Set 2.1: A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 31 HIS : no HD1:sc= 0.0152 K(o=0.015,f=-1.9!) USER MOD Set 3.1: A 26 TYR OH : rot 47:sc= 0.841 USER MOD Set 3.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0169) USER MOD Single : A 8 GLN : amide:sc= 0.264 K(o=0.26,f=-1.1) USER MOD Single : A 10 TYR OH : rot 130:sc= 0 USER MOD Single : A 11 SER OG : rot 40:sc= 0.0737 USER MOD Single : A 13 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.45) USER MOD Single : A 17 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 39:sc= 0.00307 USER MOD Single : A 21 ASN : amide:sc= 0.651 K(o=0.65,f=-1.2) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.448 F(o=-1.7,f=-0.45) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00189 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.413 F(o=-0.96,f=-0.41) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 52 SER OG : rot 170:sc= 0.243 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -109:sc= 0.839 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.148 (180deg=-1.04) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00725 USER MOD Single : A 66 TYR OH : rot 15:sc= -1.52 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 72:sc= 0.666 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.000899 USER MOD Single : A 73 THR OG1 : rot 73:sc= 0.277 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.211 K(o=0.21,f=-5.7!) USER MOD Single : A 84 HIS : no HD1:sc= -1.04 K(o=-1,f=-6.1!) USER MOD Single : A 86 THR OG1 : rot 110:sc= -0.0369 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.044) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 170:sc= 0 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.232 -22.381 1.048 1.00 0.00 N ATOM 2 CA MET A 0 -0.037 -23.168 -0.170 1.00 0.00 C ATOM 3 C MET A 0 -1.171 -22.544 -0.987 1.00 0.00 C ATOM 4 O MET A 0 -0.918 -21.949 -2.032 1.00 0.00 O ATOM 5 CB MET A 0 -0.288 -24.643 0.185 1.00 0.00 C ATOM 6 CG MET A 0 -0.264 -25.569 -1.039 1.00 0.00 C ATOM 7 SD MET A 0 -1.697 -25.486 -2.149 1.00 0.00 S ATOM 8 CE MET A 0 -1.126 -26.596 -3.460 1.00 0.00 C ATOM 0 H1 MET A 0 1.005 -22.825 1.584 1.00 0.00 H new ATOM 0 H2 MET A 0 0.506 -21.413 0.783 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.625 -22.349 1.637 1.00 0.00 H new ATOM 0 HA MET A 0 0.845 -23.146 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.468 -24.973 0.898 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.254 -24.732 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.630 -25.343 -1.620 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.164 -26.596 -0.687 1.00 0.00 H new ATOM 0 HE1 MET A 0 -1.889 -26.665 -4.236 1.00 0.00 H new ATOM 0 HE2 MET A 0 -0.204 -26.206 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.941 -27.586 -3.043 1.00 0.00 H new ATOM 20 N ILE A 1 -2.413 -22.662 -0.499 1.00 0.00 N ATOM 21 CA ILE A 1 -3.588 -22.055 -1.114 1.00 0.00 C ATOM 22 C ILE A 1 -3.461 -20.530 -1.153 1.00 0.00 C ATOM 23 O ILE A 1 -2.714 -19.951 -0.365 1.00 0.00 O ATOM 24 CB ILE A 1 -4.890 -22.498 -0.419 1.00 0.00 C ATOM 25 CG1 ILE A 1 -5.115 -21.899 0.983 1.00 0.00 C ATOM 26 CG2 ILE A 1 -5.030 -24.027 -0.411 1.00 0.00 C ATOM 27 CD1 ILE A 1 -4.031 -22.227 2.010 1.00 0.00 C ATOM 0 H ILE A 1 -2.627 -23.191 0.347 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.641 -22.410 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.689 -22.078 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.190 -20.816 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.073 -22.254 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -5.959 -24.305 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -5.043 -24.397 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.187 -24.467 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -4.280 -21.761 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.968 -23.307 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.071 -21.847 1.660 1.00 0.00 H new ATOM 39 N GLN A 2 -4.193 -19.891 -2.072 1.00 0.00 N ATOM 40 CA GLN A 2 -4.221 -18.444 -2.240 1.00 0.00 C ATOM 41 C GLN A 2 -4.483 -17.725 -0.911 1.00 0.00 C ATOM 42 O GLN A 2 -5.574 -17.816 -0.351 1.00 0.00 O ATOM 43 CB GLN A 2 -5.219 -18.034 -3.340 1.00 0.00 C ATOM 44 CG GLN A 2 -6.716 -18.280 -3.073 1.00 0.00 C ATOM 45 CD GLN A 2 -7.039 -19.729 -2.714 1.00 0.00 C ATOM 46 OE1 GLN A 2 -6.750 -20.639 -3.487 1.00 0.00 O ATOM 47 NE2 GLN A 2 -7.612 -19.956 -1.530 1.00 0.00 N ATOM 0 H GLN A 2 -4.795 -20.382 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.233 -18.125 -2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.083 -16.971 -3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.949 -18.565 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.044 -17.631 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.286 -17.997 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.838 -19.175 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.824 -20.911 -1.241 1.00 0.00 H new ATOM 56 N ARG A 3 -3.464 -17.023 -0.400 1.00 0.00 N ATOM 57 CA ARG A 3 -3.570 -16.215 0.806 1.00 0.00 C ATOM 58 C ARG A 3 -4.032 -14.808 0.426 1.00 0.00 C ATOM 59 O ARG A 3 -3.501 -14.208 -0.508 1.00 0.00 O ATOM 60 CB ARG A 3 -2.228 -16.178 1.546 1.00 0.00 C ATOM 61 CG ARG A 3 -1.933 -17.515 2.240 1.00 0.00 C ATOM 62 CD ARG A 3 -0.614 -17.488 3.021 1.00 0.00 C ATOM 63 NE ARG A 3 -0.655 -16.515 4.122 1.00 0.00 N ATOM 64 CZ ARG A 3 0.327 -16.321 5.020 1.00 0.00 C ATOM 65 NH1 ARG A 3 1.417 -17.102 5.031 1.00 0.00 N ATOM 66 NH2 ARG A 3 0.214 -15.333 5.918 1.00 0.00 N ATOM 0 H ARG A 3 -2.536 -17.004 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.303 -16.657 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.429 -15.948 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.241 -15.378 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.750 -17.757 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.894 -18.308 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.407 -18.481 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.204 -17.239 2.345 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.494 -15.942 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.510 -17.857 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.153 -16.941 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.612 -14.735 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.954 -15.179 6.603 1.00 0.00 H new ATOM 80 N THR A 4 -5.023 -14.290 1.158 1.00 0.00 N ATOM 81 CA THR A 4 -5.561 -12.956 0.979 1.00 0.00 C ATOM 82 C THR A 4 -4.572 -11.927 1.542 1.00 0.00 C ATOM 83 O THR A 4 -3.908 -12.211 2.539 1.00 0.00 O ATOM 84 CB THR A 4 -6.901 -12.881 1.721 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.743 -13.347 3.047 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.978 -13.715 1.018 1.00 0.00 C ATOM 0 H THR A 4 -5.479 -14.808 1.909 1.00 0.00 H new ATOM 0 HA THR A 4 -5.715 -12.738 -0.078 1.00 0.00 H new ATOM 0 HB THR A 4 -7.221 -11.839 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.602 -13.295 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.915 -13.640 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.123 -13.342 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.663 -14.758 0.979 1.00 0.00 H new ATOM 94 N PRO A 5 -4.464 -10.734 0.934 1.00 0.00 N ATOM 95 CA PRO A 5 -3.529 -9.709 1.363 1.00 0.00 C ATOM 96 C PRO A 5 -3.969 -9.071 2.681 1.00 0.00 C ATOM 97 O PRO A 5 -5.031 -8.454 2.749 1.00 0.00 O ATOM 98 CB PRO A 5 -3.496 -8.687 0.224 1.00 0.00 C ATOM 99 CG PRO A 5 -4.862 -8.832 -0.441 1.00 0.00 C ATOM 100 CD PRO A 5 -5.182 -10.316 -0.258 1.00 0.00 C ATOM 0 HA PRO A 5 -2.539 -10.122 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.340 -7.676 0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.687 -8.895 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.610 -8.197 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.829 -8.554 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.254 -10.473 -0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.866 -10.894 -1.127 1.00 0.00 H new ATOM 108 N LYS A 6 -3.129 -9.192 3.717 1.00 0.00 N ATOM 109 CA LYS A 6 -3.298 -8.473 4.964 1.00 0.00 C ATOM 110 C LYS A 6 -2.716 -7.071 4.779 1.00 0.00 C ATOM 111 O LYS A 6 -1.501 -6.893 4.837 1.00 0.00 O ATOM 112 CB LYS A 6 -2.614 -9.239 6.102 1.00 0.00 C ATOM 113 CG LYS A 6 -3.020 -8.624 7.444 1.00 0.00 C ATOM 114 CD LYS A 6 -2.141 -9.171 8.575 1.00 0.00 C ATOM 115 CE LYS A 6 -2.334 -8.393 9.882 1.00 0.00 C ATOM 116 NZ LYS A 6 -3.727 -8.435 10.359 1.00 0.00 N ATOM 0 H LYS A 6 -2.310 -9.799 3.702 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.351 -8.385 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.899 -10.291 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.531 -9.198 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.927 -7.539 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.067 -8.846 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.377 -10.222 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.094 -9.123 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.678 -8.806 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.035 -7.356 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.788 -7.983 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.339 -7.927 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.039 -9.424 10.432 1.00 0.00 H new ATOM 130 N ILE A 7 -3.590 -6.087 4.546 1.00 0.00 N ATOM 131 CA ILE A 7 -3.211 -4.687 4.427 1.00 0.00 C ATOM 132 C ILE A 7 -3.066 -4.076 5.825 1.00 0.00 C ATOM 133 O ILE A 7 -3.927 -4.279 6.681 1.00 0.00 O ATOM 134 CB ILE A 7 -4.228 -3.916 3.556 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.647 -3.880 4.155 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.243 -4.486 2.130 1.00 0.00 C ATOM 137 CD1 ILE A 7 -6.647 -3.115 3.283 1.00 0.00 C ATOM 0 H ILE A 7 -4.591 -6.248 4.434 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.247 -4.612 3.924 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.894 -2.879 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.002 -4.901 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.607 -3.419 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.963 -3.935 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.251 -4.390 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.526 -5.538 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.628 -3.126 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.312 -2.084 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.714 -3.590 2.304 1.00 0.00 H new ATOM 149 N GLN A 8 -1.986 -3.322 6.058 1.00 0.00 N ATOM 150 CA GLN A 8 -1.834 -2.440 7.189 1.00 0.00 C ATOM 151 C GLN A 8 -1.327 -1.107 6.633 1.00 0.00 C ATOM 152 O GLN A 8 -0.123 -0.870 6.548 1.00 0.00 O ATOM 153 CB GLN A 8 -0.913 -3.070 8.241 1.00 0.00 C ATOM 154 CG GLN A 8 0.335 -3.795 7.710 1.00 0.00 C ATOM 155 CD GLN A 8 0.184 -5.307 7.549 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.921 -5.844 7.536 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.318 -6.004 7.434 1.00 0.00 N ATOM 0 H GLN A 8 -1.176 -3.319 5.438 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.774 -2.268 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.588 -2.285 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.498 -3.780 8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.602 -3.367 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.167 -3.598 8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.217 -5.522 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.285 -7.018 7.331 1.00 0.00 H new ATOM 166 N VAL A 9 -2.267 -0.255 6.211 1.00 0.00 N ATOM 167 CA VAL A 9 -1.984 1.025 5.582 1.00 0.00 C ATOM 168 C VAL A 9 -1.808 2.085 6.666 1.00 0.00 C ATOM 169 O VAL A 9 -2.795 2.549 7.234 1.00 0.00 O ATOM 170 CB VAL A 9 -3.124 1.394 4.619 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.832 2.747 3.964 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.298 0.320 3.536 1.00 0.00 C ATOM 0 H VAL A 9 -3.265 -0.447 6.302 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.063 0.964 5.003 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.049 1.457 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.643 3.004 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.749 3.514 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.896 2.688 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.111 0.605 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.374 0.226 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.533 -0.635 4.005 1.00 0.00 H new ATOM 182 N TYR A 10 -0.554 2.457 6.946 1.00 0.00 N ATOM 183 CA TYR A 10 -0.223 3.390 8.022 1.00 0.00 C ATOM 184 C TYR A 10 0.518 4.613 7.485 1.00 0.00 C ATOM 185 O TYR A 10 1.178 4.536 6.450 1.00 0.00 O ATOM 186 CB TYR A 10 0.588 2.676 9.112 1.00 0.00 C ATOM 187 CG TYR A 10 1.914 2.083 8.679 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.070 2.885 8.639 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.013 0.702 8.438 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.309 2.312 8.304 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.251 0.131 8.101 1.00 0.00 C ATOM 192 CZ TYR A 10 4.399 0.938 8.026 1.00 0.00 C ATOM 193 OH TYR A 10 5.602 0.392 7.689 1.00 0.00 O ATOM 0 H TYR A 10 0.259 2.118 6.431 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.152 3.747 8.467 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.777 3.385 9.918 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.026 1.877 9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.005 3.939 8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.135 0.078 8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.194 2.930 8.260 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.321 -0.928 7.900 1.00 0.00 H new ATOM 0 HH TYR A 10 5.767 -0.401 8.240 1.00 0.00 H new ATOM 203 N SER A 11 0.434 5.729 8.220 1.00 0.00 N ATOM 204 CA SER A 11 1.256 6.912 8.013 1.00 0.00 C ATOM 205 C SER A 11 2.327 6.967 9.105 1.00 0.00 C ATOM 206 O SER A 11 1.977 6.982 10.283 1.00 0.00 O ATOM 207 CB SER A 11 0.390 8.172 8.034 1.00 0.00 C ATOM 208 OG SER A 11 -0.538 8.123 9.100 1.00 0.00 O ATOM 0 H SER A 11 -0.225 5.830 8.992 1.00 0.00 H new ATOM 0 HA SER A 11 1.740 6.859 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.024 9.053 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.141 8.270 7.087 1.00 0.00 H new ATOM 0 HG SER A 11 -0.106 7.741 9.893 1.00 0.00 H new ATOM 214 N ARG A 12 3.617 7.003 8.735 1.00 0.00 N ATOM 215 CA ARG A 12 4.709 7.074 9.706 1.00 0.00 C ATOM 216 C ARG A 12 4.668 8.412 10.449 1.00 0.00 C ATOM 217 O ARG A 12 4.502 8.453 11.667 1.00 0.00 O ATOM 218 CB ARG A 12 6.081 6.939 9.024 1.00 0.00 C ATOM 219 CG ARG A 12 6.376 5.570 8.405 1.00 0.00 C ATOM 220 CD ARG A 12 7.683 5.683 7.606 1.00 0.00 C ATOM 221 NE ARG A 12 8.134 4.393 7.068 1.00 0.00 N ATOM 222 CZ ARG A 12 9.053 4.252 6.095 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.570 5.320 5.468 1.00 0.00 N ATOM 224 NH2 ARG A 12 9.453 3.025 5.733 1.00 0.00 N ATOM 0 H ARG A 12 3.926 6.984 7.763 1.00 0.00 H new ATOM 0 HA ARG A 12 4.576 6.247 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.155 7.695 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.856 7.161 9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.469 4.812 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.557 5.261 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.542 6.385 6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.461 6.096 8.248 1.00 0.00 H new ATOM 0 HE ARG A 12 7.722 3.546 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.267 6.259 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.266 5.193 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.061 2.204 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.149 2.912 4.996 1.00 0.00 H new ATOM 238 N HIS A 13 4.869 9.499 9.699 1.00 0.00 N ATOM 239 CA HIS A 13 5.072 10.842 10.220 1.00 0.00 C ATOM 240 C HIS A 13 3.728 11.469 10.618 1.00 0.00 C ATOM 241 O HIS A 13 2.679 10.992 10.182 1.00 0.00 O ATOM 242 CB HIS A 13 5.785 11.664 9.137 1.00 0.00 C ATOM 243 CG HIS A 13 7.252 11.361 8.954 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.799 10.105 9.223 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.247 12.188 8.507 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.101 10.233 8.950 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.422 11.465 8.524 1.00 0.00 N ATOM 0 H HIS A 13 4.895 9.461 8.680 1.00 0.00 H new ATOM 0 HA HIS A 13 5.687 10.819 11.119 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.276 11.500 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.677 12.722 9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.133 13.217 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.817 9.432 9.060 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.350 11.800 8.265 1.00 0.00 H new ATOM 255 N PRO A 14 3.730 12.535 11.440 1.00 0.00 N ATOM 256 CA PRO A 14 2.516 13.222 11.853 1.00 0.00 C ATOM 257 C PRO A 14 1.960 14.038 10.683 1.00 0.00 C ATOM 258 O PRO A 14 2.493 15.096 10.356 1.00 0.00 O ATOM 259 CB PRO A 14 2.927 14.098 13.042 1.00 0.00 C ATOM 260 CG PRO A 14 4.404 14.389 12.780 1.00 0.00 C ATOM 261 CD PRO A 14 4.895 13.115 12.092 1.00 0.00 C ATOM 0 HA PRO A 14 1.718 12.540 12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.339 15.015 13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.782 13.580 13.990 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.535 15.265 12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.947 14.582 13.705 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.676 13.340 11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.323 12.421 12.816 1.00 0.00 H new ATOM 269 N ALA A 15 0.891 13.527 10.054 1.00 0.00 N ATOM 270 CA ALA A 15 0.240 14.115 8.889 1.00 0.00 C ATOM 271 C ALA A 15 -0.052 15.603 9.096 1.00 0.00 C ATOM 272 O ALA A 15 -0.747 15.969 10.043 1.00 0.00 O ATOM 273 CB ALA A 15 -1.041 13.335 8.580 1.00 0.00 C ATOM 0 H ALA A 15 0.445 12.662 10.359 1.00 0.00 H new ATOM 0 HA ALA A 15 0.916 14.046 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.531 13.771 7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.792 12.294 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.713 13.384 9.437 1.00 0.00 H new ATOM 279 N GLU A 16 0.499 16.449 8.216 1.00 0.00 N ATOM 280 CA GLU A 16 0.412 17.900 8.294 1.00 0.00 C ATOM 281 C GLU A 16 0.183 18.473 6.894 1.00 0.00 C ATOM 282 O GLU A 16 0.865 18.096 5.942 1.00 0.00 O ATOM 283 CB GLU A 16 1.665 18.474 8.974 1.00 0.00 C ATOM 284 CG GLU A 16 2.986 18.084 8.293 1.00 0.00 C ATOM 285 CD GLU A 16 4.183 18.676 9.032 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.355 19.911 8.932 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.913 17.891 9.675 1.00 0.00 O ATOM 0 H GLU A 16 1.032 16.126 7.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.438 18.192 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.587 19.561 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.690 18.136 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.075 16.998 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.983 18.434 7.261 1.00 0.00 H new ATOM 294 N ASN A 17 -0.808 19.363 6.769 1.00 0.00 N ATOM 295 CA ASN A 17 -1.265 19.913 5.503 1.00 0.00 C ATOM 296 C ASN A 17 -0.366 21.063 5.049 1.00 0.00 C ATOM 297 O ASN A 17 -0.767 22.224 5.049 1.00 0.00 O ATOM 298 CB ASN A 17 -2.756 20.281 5.598 1.00 0.00 C ATOM 299 CG ASN A 17 -3.112 21.233 6.743 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.195 22.443 6.551 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.356 20.687 7.937 1.00 0.00 N ATOM 0 H ASN A 17 -1.323 19.725 7.571 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.183 19.158 4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.064 20.737 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.335 19.365 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.621 21.279 8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.278 19.678 8.062 1.00 0.00 H new ATOM 308 N GLY A 18 0.860 20.722 4.639 1.00 0.00 N ATOM 309 CA GLY A 18 1.832 21.693 4.167 1.00 0.00 C ATOM 310 C GLY A 18 3.143 21.026 3.758 1.00 0.00 C ATOM 311 O GLY A 18 3.670 21.316 2.686 1.00 0.00 O ATOM 0 H GLY A 18 1.200 19.760 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.420 22.237 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.025 22.425 4.951 1.00 0.00 H new ATOM 315 N LYS A 19 3.677 20.154 4.623 1.00 0.00 N ATOM 316 CA LYS A 19 4.993 19.553 4.459 1.00 0.00 C ATOM 317 C LYS A 19 4.883 18.063 4.170 1.00 0.00 C ATOM 318 O LYS A 19 4.053 17.362 4.747 1.00 0.00 O ATOM 319 CB LYS A 19 5.810 19.749 5.721 1.00 0.00 C ATOM 320 CG LYS A 19 7.284 19.442 5.452 1.00 0.00 C ATOM 321 CD LYS A 19 8.147 19.882 6.626 1.00 0.00 C ATOM 322 CE LYS A 19 7.921 19.005 7.865 1.00 0.00 C ATOM 323 NZ LYS A 19 8.743 19.450 9.001 1.00 0.00 N ATOM 0 H LYS A 19 3.194 19.846 5.467 1.00 0.00 H new ATOM 0 HA LYS A 19 5.481 20.041 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.704 20.774 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.434 19.098 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.413 18.373 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.607 19.952 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.198 19.841 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.924 20.920 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.868 19.033 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.160 17.969 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.565 18.835 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.749 19.399 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.497 20.431 9.244 1.00 0.00 H new ATOM 337 N SER A 20 5.767 17.605 3.283 1.00 0.00 N ATOM 338 CA SER A 20 5.860 16.210 2.882 1.00 0.00 C ATOM 339 C SER A 20 6.002 15.300 4.100 1.00 0.00 C ATOM 340 O SER A 20 6.804 15.565 4.995 1.00 0.00 O ATOM 341 CB SER A 20 7.047 16.007 1.939 1.00 0.00 C ATOM 342 OG SER A 20 8.238 16.560 2.462 1.00 0.00 O ATOM 0 H SER A 20 6.447 18.206 2.818 1.00 0.00 H new ATOM 0 HA SER A 20 4.940 15.947 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.190 14.941 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.827 16.465 0.975 1.00 0.00 H new ATOM 0 HG SER A 20 8.273 16.406 3.429 1.00 0.00 H new ATOM 348 N ASN A 21 5.193 14.243 4.119 1.00 0.00 N ATOM 349 CA ASN A 21 5.021 13.349 5.257 1.00 0.00 C ATOM 350 C ASN A 21 5.517 11.947 4.867 1.00 0.00 C ATOM 351 O ASN A 21 6.531 11.850 4.180 1.00 0.00 O ATOM 352 CB ASN A 21 3.550 13.430 5.698 1.00 0.00 C ATOM 353 CG ASN A 21 3.373 13.144 7.185 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.853 13.902 8.022 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.674 12.062 7.526 1.00 0.00 N ATOM 0 H ASN A 21 4.622 13.979 3.316 1.00 0.00 H new ATOM 0 HA ASN A 21 5.619 13.634 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.160 14.423 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.961 12.717 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.523 11.842 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.290 11.454 6.803 1.00 0.00 H new ATOM 362 N PHE A 22 4.831 10.867 5.273 1.00 0.00 N ATOM 363 CA PHE A 22 5.178 9.505 4.869 1.00 0.00 C ATOM 364 C PHE A 22 3.970 8.577 4.969 1.00 0.00 C ATOM 365 O PHE A 22 3.484 8.329 6.070 1.00 0.00 O ATOM 366 CB PHE A 22 6.326 8.942 5.719 1.00 0.00 C ATOM 367 CG PHE A 22 7.648 8.837 4.991 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.825 7.839 4.014 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.669 9.773 5.232 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.009 7.798 3.259 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.860 9.720 4.489 1.00 0.00 C ATOM 372 CZ PHE A 22 10.018 8.750 3.485 1.00 0.00 C ATOM 0 H PHE A 22 4.021 10.919 5.891 1.00 0.00 H new ATOM 0 HA PHE A 22 5.504 9.555 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.457 9.576 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.044 7.953 6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.051 7.105 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.538 10.533 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.144 7.036 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.654 10.424 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.916 8.736 2.886 1.00 0.00 H new ATOM 382 N LEU A 23 3.524 8.052 3.820 1.00 0.00 N ATOM 383 CA LEU A 23 2.441 7.088 3.694 1.00 0.00 C ATOM 384 C LEU A 23 3.018 5.742 3.269 1.00 0.00 C ATOM 385 O LEU A 23 3.855 5.689 2.370 1.00 0.00 O ATOM 386 CB LEU A 23 1.425 7.590 2.666 1.00 0.00 C ATOM 387 CG LEU A 23 0.236 6.659 2.436 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.540 6.480 3.739 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.682 7.321 1.404 1.00 0.00 C ATOM 0 H LEU A 23 3.930 8.303 2.919 1.00 0.00 H new ATOM 0 HA LEU A 23 1.933 6.969 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.051 8.561 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.936 7.745 1.716 1.00 0.00 H new ATOM 0 HG LEU A 23 0.583 5.686 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.387 5.815 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.115 6.048 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.902 7.449 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.543 6.679 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.023 8.284 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.134 7.472 0.474 1.00 0.00 H new ATOM 401 N ASN A 24 2.572 4.666 3.927 1.00 0.00 N ATOM 402 CA ASN A 24 3.139 3.337 3.791 1.00 0.00 C ATOM 403 C ASN A 24 2.035 2.300 3.630 1.00 0.00 C ATOM 404 O ASN A 24 1.424 1.884 4.615 1.00 0.00 O ATOM 405 CB ASN A 24 3.997 3.032 5.019 1.00 0.00 C ATOM 406 CG ASN A 24 5.324 3.784 4.984 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.412 3.059 4.724 1.00 0.00 O flip ATOM 408 ND2 ASN A 24 5.372 4.997 5.176 1.00 0.00 N flip ATOM 0 H ASN A 24 1.790 4.705 4.581 1.00 0.00 H new ATOM 0 HA ASN A 24 3.764 3.297 2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.449 3.303 5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.188 1.960 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.516 5.517 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.267 5.484 5.139 1.00 0.00 H new ATOM 415 N CYS A 25 1.827 1.851 2.385 1.00 0.00 N ATOM 416 CA CYS A 25 0.956 0.729 2.086 1.00 0.00 C ATOM 417 C CYS A 25 1.775 -0.544 2.298 1.00 0.00 C ATOM 418 O CYS A 25 2.377 -1.066 1.363 1.00 0.00 O ATOM 419 CB CYS A 25 0.441 0.803 0.637 1.00 0.00 C ATOM 420 SG CYS A 25 -0.314 2.358 0.100 1.00 0.00 S ATOM 0 H CYS A 25 2.264 2.264 1.561 1.00 0.00 H new ATOM 0 HA CYS A 25 0.082 0.742 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.276 0.587 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.291 0.008 0.499 1.00 0.00 H new ATOM 425 N TYR A 26 1.815 -1.034 3.538 1.00 0.00 N ATOM 426 CA TYR A 26 2.428 -2.310 3.865 1.00 0.00 C ATOM 427 C TYR A 26 1.341 -3.361 3.647 1.00 0.00 C ATOM 428 O TYR A 26 0.283 -3.274 4.266 1.00 0.00 O ATOM 429 CB TYR A 26 2.945 -2.240 5.311 1.00 0.00 C ATOM 430 CG TYR A 26 3.864 -3.355 5.802 1.00 0.00 C ATOM 431 CD1 TYR A 26 3.588 -4.717 5.561 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.965 -3.016 6.610 1.00 0.00 C ATOM 433 CE1 TYR A 26 4.439 -5.714 6.070 1.00 0.00 C ATOM 434 CE2 TYR A 26 5.795 -4.014 7.145 1.00 0.00 C ATOM 435 CZ TYR A 26 5.548 -5.363 6.856 1.00 0.00 C ATOM 436 OH TYR A 26 6.378 -6.327 7.350 1.00 0.00 O ATOM 0 H TYR A 26 1.419 -0.550 4.344 1.00 0.00 H new ATOM 0 HA TYR A 26 3.289 -2.565 3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.475 -1.295 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.080 -2.206 5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.719 -4.995 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.174 -1.978 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.239 -6.753 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.625 -3.742 7.780 1.00 0.00 H new ATOM 0 HH TYR A 26 6.602 -6.962 6.638 1.00 0.00 H new ATOM 446 N VAL A 27 1.583 -4.336 2.762 1.00 0.00 N ATOM 447 CA VAL A 27 0.679 -5.459 2.546 1.00 0.00 C ATOM 448 C VAL A 27 1.487 -6.709 2.829 1.00 0.00 C ATOM 449 O VAL A 27 2.675 -6.707 2.518 1.00 0.00 O ATOM 450 CB VAL A 27 0.170 -5.472 1.097 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.979 -6.473 0.947 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.333 -4.092 0.689 1.00 0.00 C ATOM 0 H VAL A 27 2.417 -4.363 2.176 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.195 -5.392 3.193 1.00 0.00 H new ATOM 0 HB VAL A 27 1.002 -5.761 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.330 -6.472 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.629 -7.471 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.797 -6.190 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.689 -4.124 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.150 -3.794 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.480 -3.370 0.770 1.00 0.00 H new ATOM 462 N SER A 28 0.887 -7.765 3.398 1.00 0.00 N ATOM 463 CA SER A 28 1.656 -8.978 3.620 1.00 0.00 C ATOM 464 C SER A 28 0.825 -10.258 3.693 1.00 0.00 C ATOM 465 O SER A 28 -0.394 -10.219 3.848 1.00 0.00 O ATOM 466 CB SER A 28 2.597 -8.781 4.829 1.00 0.00 C ATOM 467 OG SER A 28 2.523 -9.809 5.798 1.00 0.00 O ATOM 0 H SER A 28 -0.087 -7.798 3.699 1.00 0.00 H new ATOM 0 HA SER A 28 2.265 -9.141 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.623 -8.711 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.362 -7.830 5.307 1.00 0.00 H new ATOM 0 HG SER A 28 3.146 -9.615 6.529 1.00 0.00 H new ATOM 473 N GLY A 29 1.523 -11.395 3.558 1.00 0.00 N ATOM 474 CA GLY A 29 0.987 -12.737 3.725 1.00 0.00 C ATOM 475 C GLY A 29 0.608 -13.387 2.395 1.00 0.00 C ATOM 476 O GLY A 29 0.539 -14.610 2.311 1.00 0.00 O ATOM 0 H GLY A 29 2.515 -11.396 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.725 -13.359 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.108 -12.696 4.369 1.00 0.00 H new ATOM 480 N PHE A 30 0.337 -12.579 1.368 1.00 0.00 N ATOM 481 CA PHE A 30 -0.258 -13.029 0.120 1.00 0.00 C ATOM 482 C PHE A 30 0.825 -13.480 -0.861 1.00 0.00 C ATOM 483 O PHE A 30 1.848 -12.816 -1.006 1.00 0.00 O ATOM 484 CB PHE A 30 -1.139 -11.930 -0.480 1.00 0.00 C ATOM 485 CG PHE A 30 -0.370 -10.703 -0.918 1.00 0.00 C ATOM 486 CD1 PHE A 30 0.210 -10.721 -2.196 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.081 -9.768 0.032 1.00 0.00 C ATOM 488 CE1 PHE A 30 1.314 -9.918 -2.486 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.165 -8.933 -0.268 1.00 0.00 C ATOM 490 CZ PHE A 30 1.789 -9.027 -1.518 1.00 0.00 C ATOM 0 H PHE A 30 0.530 -11.578 1.386 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.895 -13.889 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.677 -12.336 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.887 -11.635 0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.202 -11.362 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.408 -9.694 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.797 -9.984 -3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.518 -8.220 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.645 -8.406 -1.737 1.00 0.00 H new ATOM 500 N HIS A 31 0.574 -14.595 -1.551 1.00 0.00 N ATOM 501 CA HIS A 31 1.400 -15.138 -2.621 1.00 0.00 C ATOM 502 C HIS A 31 0.447 -15.574 -3.749 1.00 0.00 C ATOM 503 O HIS A 31 -0.693 -15.934 -3.449 1.00 0.00 O ATOM 504 CB HIS A 31 2.267 -16.269 -2.058 1.00 0.00 C ATOM 505 CG HIS A 31 1.510 -17.545 -1.858 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.999 -17.923 -0.618 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.150 -18.464 -2.801 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.352 -19.065 -0.863 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.409 -19.431 -2.157 1.00 0.00 N ATOM 0 H HIS A 31 -0.250 -15.167 -1.367 1.00 0.00 H new ATOM 0 HA HIS A 31 2.097 -14.410 -3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.101 -16.451 -2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.693 -15.953 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.399 -18.438 -3.852 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.163 -19.635 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.012 -20.259 -2.577 1.00 0.00 H new ATOM 517 N PRO A 32 0.847 -15.545 -5.033 1.00 0.00 N ATOM 518 CA PRO A 32 2.181 -15.247 -5.536 1.00 0.00 C ATOM 519 C PRO A 32 2.468 -13.738 -5.534 1.00 0.00 C ATOM 520 O PRO A 32 1.704 -12.946 -4.983 1.00 0.00 O ATOM 521 CB PRO A 32 2.196 -15.826 -6.958 1.00 0.00 C ATOM 522 CG PRO A 32 0.754 -15.627 -7.410 1.00 0.00 C ATOM 523 CD PRO A 32 -0.025 -15.931 -6.131 1.00 0.00 C ATOM 0 HA PRO A 32 2.960 -15.681 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.900 -15.300 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.482 -16.878 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.574 -14.612 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.484 -16.302 -8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.961 -15.373 -6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.282 -16.989 -6.072 1.00 0.00 H new ATOM 531 N SER A 33 3.587 -13.354 -6.157 1.00 0.00 N ATOM 532 CA SER A 33 4.127 -12.002 -6.168 1.00 0.00 C ATOM 533 C SER A 33 3.359 -11.034 -7.087 1.00 0.00 C ATOM 534 O SER A 33 3.681 -9.847 -7.114 1.00 0.00 O ATOM 535 CB SER A 33 5.594 -12.096 -6.600 1.00 0.00 C ATOM 536 OG SER A 33 5.685 -12.454 -7.963 1.00 0.00 O ATOM 0 H SER A 33 4.161 -14.009 -6.688 1.00 0.00 H new ATOM 0 HA SER A 33 4.026 -11.586 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.090 -11.140 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.113 -12.834 -5.988 1.00 0.00 H new ATOM 0 HG SER A 33 6.628 -12.508 -8.225 1.00 0.00 H new ATOM 542 N ASP A 34 2.383 -11.529 -7.863 1.00 0.00 N ATOM 543 CA ASP A 34 1.708 -10.780 -8.917 1.00 0.00 C ATOM 544 C ASP A 34 0.633 -9.849 -8.340 1.00 0.00 C ATOM 545 O ASP A 34 -0.551 -10.184 -8.344 1.00 0.00 O ATOM 546 CB ASP A 34 1.134 -11.779 -9.936 1.00 0.00 C ATOM 547 CG ASP A 34 0.435 -11.110 -11.121 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.761 -9.936 -11.402 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.406 -11.799 -11.738 1.00 0.00 O ATOM 0 H ASP A 34 2.038 -12.484 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 34 2.421 -10.131 -9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.941 -12.409 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.426 -12.435 -9.430 1.00 0.00 H new ATOM 554 N ILE A 35 1.062 -8.684 -7.835 1.00 0.00 N ATOM 555 CA ILE A 35 0.194 -7.669 -7.244 1.00 0.00 C ATOM 556 C ILE A 35 0.601 -6.259 -7.679 1.00 0.00 C ATOM 557 O ILE A 35 1.738 -6.032 -8.089 1.00 0.00 O ATOM 558 CB ILE A 35 0.192 -7.820 -5.715 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.685 -6.806 -4.968 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.605 -7.832 -5.160 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.914 -7.239 -3.517 1.00 0.00 C ATOM 0 H ILE A 35 2.047 -8.420 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.823 -7.820 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.273 -8.788 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.210 -5.825 -4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.644 -6.706 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.569 -7.940 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.158 -8.667 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.104 -6.897 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.538 -6.502 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.412 -8.209 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.045 -7.315 -3.004 1.00 0.00 H new ATOM 573 N GLU A 36 -0.345 -5.320 -7.559 1.00 0.00 N ATOM 574 CA GLU A 36 -0.186 -3.905 -7.861 1.00 0.00 C ATOM 575 C GLU A 36 -0.612 -3.071 -6.653 1.00 0.00 C ATOM 576 O GLU A 36 -1.716 -3.268 -6.140 1.00 0.00 O ATOM 577 CB GLU A 36 -1.026 -3.508 -9.080 1.00 0.00 C ATOM 578 CG GLU A 36 -1.142 -4.642 -10.098 1.00 0.00 C ATOM 579 CD GLU A 36 -1.883 -4.185 -11.350 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.116 -4.005 -11.243 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.205 -4.010 -12.385 1.00 0.00 O ATOM 0 H GLU A 36 -1.285 -5.544 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 36 0.863 -3.717 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.023 -3.214 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.579 -2.637 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.147 -4.994 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.667 -5.485 -9.649 1.00 0.00 H new ATOM 588 N VAL A 37 0.248 -2.140 -6.217 1.00 0.00 N ATOM 589 CA VAL A 37 -0.050 -1.178 -5.161 1.00 0.00 C ATOM 590 C VAL A 37 0.590 0.158 -5.533 1.00 0.00 C ATOM 591 O VAL A 37 1.639 0.535 -5.013 1.00 0.00 O ATOM 592 CB VAL A 37 0.395 -1.699 -3.780 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.090 -0.736 -2.622 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.271 -3.041 -3.454 1.00 0.00 C ATOM 0 H VAL A 37 1.188 -2.037 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.127 -1.033 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 37 1.477 -1.804 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.433 -1.174 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.605 0.210 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.984 -0.560 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.062 -3.384 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.354 -2.917 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.005 -3.777 -4.209 1.00 0.00 H new ATOM 604 N ASP A 38 -0.078 0.873 -6.441 1.00 0.00 N ATOM 605 CA ASP A 38 0.218 2.253 -6.780 1.00 0.00 C ATOM 606 C ASP A 38 -0.567 3.135 -5.813 1.00 0.00 C ATOM 607 O ASP A 38 -1.759 2.906 -5.603 1.00 0.00 O ATOM 608 CB ASP A 38 -0.194 2.539 -8.229 1.00 0.00 C ATOM 609 CG ASP A 38 0.430 1.541 -9.205 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.159 0.451 -9.372 1.00 0.00 O ATOM 611 OD2 ASP A 38 1.470 1.903 -9.797 1.00 0.00 O ATOM 0 H ASP A 38 -0.861 0.490 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 38 1.286 2.455 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.280 2.498 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.109 3.550 -8.500 1.00 0.00 H new ATOM 616 N LEU A 39 0.085 4.135 -5.213 1.00 0.00 N ATOM 617 CA LEU A 39 -0.603 5.049 -4.317 1.00 0.00 C ATOM 618 C LEU A 39 -1.367 6.070 -5.159 1.00 0.00 C ATOM 619 O LEU A 39 -0.892 6.492 -6.214 1.00 0.00 O ATOM 620 CB LEU A 39 0.360 5.682 -3.309 1.00 0.00 C ATOM 621 CG LEU A 39 0.957 4.623 -2.364 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.363 4.202 -2.803 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.998 5.171 -0.936 1.00 0.00 C ATOM 0 H LEU A 39 1.080 4.326 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.325 4.507 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.163 6.192 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.166 6.438 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 39 0.319 3.740 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.751 3.454 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.320 3.781 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.020 5.072 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.421 4.419 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.615 6.069 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.013 5.416 -0.611 1.00 0.00 H new ATOM 635 N LEU A 40 -2.592 6.389 -4.726 1.00 0.00 N ATOM 636 CA LEU A 40 -3.628 6.929 -5.592 1.00 0.00 C ATOM 637 C LEU A 40 -4.456 7.935 -4.797 1.00 0.00 C ATOM 638 O LEU A 40 -5.090 7.550 -3.818 1.00 0.00 O ATOM 639 CB LEU A 40 -4.475 5.740 -6.082 1.00 0.00 C ATOM 640 CG LEU A 40 -5.256 5.947 -7.388 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.247 7.113 -7.316 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.306 6.113 -8.578 1.00 0.00 C ATOM 0 H LEU A 40 -2.887 6.276 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.217 7.453 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.816 4.882 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.185 5.481 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.848 5.044 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.767 7.208 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.972 6.926 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.708 8.036 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.886 6.258 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.665 6.980 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.689 5.220 -8.679 1.00 0.00 H new ATOM 654 N LYS A 41 -4.442 9.220 -5.180 1.00 0.00 N ATOM 655 CA LYS A 41 -5.134 10.251 -4.422 1.00 0.00 C ATOM 656 C LYS A 41 -6.613 10.355 -4.815 1.00 0.00 C ATOM 657 O LYS A 41 -7.267 9.350 -5.087 1.00 0.00 O ATOM 658 CB LYS A 41 -4.365 11.563 -4.599 1.00 0.00 C ATOM 659 CG LYS A 41 -2.913 11.420 -4.159 1.00 0.00 C ATOM 660 CD LYS A 41 -2.012 12.194 -5.115 1.00 0.00 C ATOM 661 CE LYS A 41 -2.388 13.676 -5.225 1.00 0.00 C ATOM 662 NZ LYS A 41 -2.358 14.378 -3.930 1.00 0.00 N ATOM 0 H LYS A 41 -3.957 9.561 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.150 9.995 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.401 11.870 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.847 12.350 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.791 11.796 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.628 10.368 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.978 12.111 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.063 11.738 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.702 14.168 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.386 13.760 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.538 15.391 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.091 13.985 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.424 14.254 -3.489 1.00 0.00 H new ATOM 676 N ASN A 42 -7.127 11.588 -4.856 1.00 0.00 N ATOM 677 CA ASN A 42 -8.423 11.955 -5.406 1.00 0.00 C ATOM 678 C ASN A 42 -8.555 11.526 -6.870 1.00 0.00 C ATOM 679 O ASN A 42 -9.620 11.069 -7.279 1.00 0.00 O ATOM 680 CB ASN A 42 -8.656 13.467 -5.230 1.00 0.00 C ATOM 681 CG ASN A 42 -7.389 14.316 -5.386 1.00 0.00 C ATOM 682 OD1 ASN A 42 -6.836 14.400 -6.596 1.00 0.00 O flip ATOM 683 ND2 ASN A 42 -6.889 14.860 -4.406 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.621 12.393 -4.487 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.198 11.422 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.395 13.798 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.082 13.646 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.336 14.777 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.026 15.395 -4.504 1.00 0.00 H new ATOM 690 N GLY A 43 -7.482 11.658 -7.656 1.00 0.00 N ATOM 691 CA GLY A 43 -7.476 11.259 -9.055 1.00 0.00 C ATOM 692 C GLY A 43 -6.109 11.504 -9.686 1.00 0.00 C ATOM 693 O GLY A 43 -6.027 11.993 -10.810 1.00 0.00 O ATOM 0 H GLY A 43 -6.595 12.046 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.735 10.203 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.238 11.817 -9.600 1.00 0.00 H new ATOM 697 N GLU A 44 -5.045 11.158 -8.953 1.00 0.00 N ATOM 698 CA GLU A 44 -3.665 11.288 -9.391 1.00 0.00 C ATOM 699 C GLU A 44 -2.876 10.097 -8.846 1.00 0.00 C ATOM 700 O GLU A 44 -2.955 9.795 -7.655 1.00 0.00 O ATOM 701 CB GLU A 44 -3.114 12.627 -8.891 1.00 0.00 C ATOM 702 CG GLU A 44 -1.645 12.840 -9.282 1.00 0.00 C ATOM 703 CD GLU A 44 -1.083 14.115 -8.662 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.720 15.173 -8.856 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.036 14.005 -7.988 1.00 0.00 O ATOM 0 H GLU A 44 -5.130 10.770 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.584 11.282 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.717 13.439 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.208 12.673 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.053 11.984 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.560 12.893 -10.367 1.00 0.00 H new ATOM 712 N ARG A 45 -2.132 9.423 -9.731 1.00 0.00 N ATOM 713 CA ARG A 45 -1.300 8.272 -9.416 1.00 0.00 C ATOM 714 C ARG A 45 0.134 8.729 -9.149 1.00 0.00 C ATOM 715 O ARG A 45 0.698 9.504 -9.918 1.00 0.00 O ATOM 716 CB ARG A 45 -1.381 7.270 -10.573 1.00 0.00 C ATOM 717 CG ARG A 45 -0.404 6.109 -10.374 1.00 0.00 C ATOM 718 CD ARG A 45 -0.714 4.961 -11.338 1.00 0.00 C ATOM 719 NE ARG A 45 0.414 4.024 -11.398 1.00 0.00 N ATOM 720 CZ ARG A 45 1.522 4.182 -12.139 1.00 0.00 C ATOM 721 NH1 ARG A 45 1.623 5.180 -13.025 1.00 0.00 N ATOM 722 NH2 ARG A 45 2.541 3.331 -11.970 1.00 0.00 N ATOM 0 H ARG A 45 -2.096 9.678 -10.718 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.655 7.777 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.397 6.883 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.160 7.777 -11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.617 6.457 -10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.463 5.752 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.613 4.437 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.918 5.358 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 45 0.351 3.181 -10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.851 5.835 -13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.472 5.285 -13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.468 2.577 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.391 3.436 -12.525 1.00 0.00 H new ATOM 736 N ILE A 46 0.712 8.239 -8.049 1.00 0.00 N ATOM 737 CA ILE A 46 1.998 8.622 -7.525 1.00 0.00 C ATOM 738 C ILE A 46 3.040 7.664 -8.100 1.00 0.00 C ATOM 739 O ILE A 46 2.974 6.464 -7.841 1.00 0.00 O ATOM 740 CB ILE A 46 1.869 8.529 -6.000 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.908 9.620 -5.491 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.230 8.671 -5.338 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.316 9.295 -4.120 1.00 0.00 C ATOM 0 H ILE A 46 0.259 7.525 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 46 2.310 9.631 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 46 1.465 7.550 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.440 10.570 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.099 9.749 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.117 8.602 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.888 7.875 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.662 9.638 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.353 10.099 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.242 8.360 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.120 9.194 -3.391 1.00 0.00 H new ATOM 755 N GLU A 47 3.996 8.202 -8.869 1.00 0.00 N ATOM 756 CA GLU A 47 5.121 7.458 -9.426 1.00 0.00 C ATOM 757 C GLU A 47 6.426 7.854 -8.726 1.00 0.00 C ATOM 758 O GLU A 47 7.469 7.975 -9.367 1.00 0.00 O ATOM 759 CB GLU A 47 5.192 7.672 -10.944 1.00 0.00 C ATOM 760 CG GLU A 47 3.959 7.098 -11.650 1.00 0.00 C ATOM 761 CD GLU A 47 4.129 7.145 -13.166 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.217 8.273 -13.695 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.154 6.049 -13.769 1.00 0.00 O ATOM 0 H GLU A 47 4.004 9.190 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 47 4.972 6.393 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.273 8.738 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.091 7.198 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.798 6.069 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.073 7.664 -11.362 1.00 0.00 H new ATOM 770 N LYS A 48 6.369 8.014 -7.398 1.00 0.00 N ATOM 771 CA LYS A 48 7.534 8.067 -6.526 1.00 0.00 C ATOM 772 C LYS A 48 7.259 7.131 -5.351 1.00 0.00 C ATOM 773 O LYS A 48 7.204 7.552 -4.196 1.00 0.00 O ATOM 774 CB LYS A 48 7.848 9.505 -6.085 1.00 0.00 C ATOM 775 CG LYS A 48 8.182 10.402 -7.284 1.00 0.00 C ATOM 776 CD LYS A 48 8.839 11.704 -6.812 1.00 0.00 C ATOM 777 CE LYS A 48 9.170 12.612 -8.002 1.00 0.00 C ATOM 778 NZ LYS A 48 9.872 13.831 -7.564 1.00 0.00 N ATOM 0 H LYS A 48 5.487 8.112 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 48 8.429 7.736 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.993 9.917 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.687 9.498 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.851 9.876 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.273 10.627 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.171 12.225 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.750 11.477 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.790 12.069 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.251 12.885 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.083 14.426 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.269 14.360 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.760 13.569 -7.090 1.00 0.00 H new ATOM 792 N VAL A 49 7.067 5.851 -5.685 1.00 0.00 N ATOM 793 CA VAL A 49 6.839 4.781 -4.731 1.00 0.00 C ATOM 794 C VAL A 49 8.197 4.152 -4.434 1.00 0.00 C ATOM 795 O VAL A 49 8.717 3.373 -5.233 1.00 0.00 O ATOM 796 CB VAL A 49 5.836 3.759 -5.293 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.470 2.739 -4.208 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.556 4.453 -5.778 1.00 0.00 C ATOM 0 H VAL A 49 7.067 5.531 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 49 6.399 5.159 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 49 6.306 3.255 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.759 2.018 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.369 2.218 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.021 3.255 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.864 3.708 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.089 4.979 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.804 5.167 -6.564 1.00 0.00 H new ATOM 808 N GLU A 50 8.772 4.508 -3.284 1.00 0.00 N ATOM 809 CA GLU A 50 10.048 4.004 -2.814 1.00 0.00 C ATOM 810 C GLU A 50 9.797 2.640 -2.180 1.00 0.00 C ATOM 811 O GLU A 50 9.887 2.498 -0.966 1.00 0.00 O ATOM 812 CB GLU A 50 10.636 5.009 -1.814 1.00 0.00 C ATOM 813 CG GLU A 50 12.094 4.706 -1.462 1.00 0.00 C ATOM 814 CD GLU A 50 12.628 5.724 -0.459 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.461 5.469 0.754 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.183 6.743 -0.924 1.00 0.00 O ATOM 0 H GLU A 50 8.344 5.174 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 50 10.768 3.887 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.568 6.013 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.037 5.002 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.172 3.702 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.703 4.724 -2.366 1.00 0.00 H new ATOM 823 N HIS A 51 9.438 1.637 -2.989 1.00 0.00 N ATOM 824 CA HIS A 51 9.077 0.330 -2.462 1.00 0.00 C ATOM 825 C HIS A 51 10.306 -0.377 -1.878 1.00 0.00 C ATOM 826 O HIS A 51 11.433 0.087 -2.051 1.00 0.00 O ATOM 827 CB HIS A 51 8.342 -0.505 -3.529 1.00 0.00 C ATOM 828 CG HIS A 51 9.196 -1.500 -4.277 1.00 0.00 C ATOM 829 ND1 HIS A 51 8.981 -2.873 -4.144 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.247 -1.296 -5.132 1.00 0.00 C ATOM 831 CE1 HIS A 51 9.907 -3.441 -4.921 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.696 -2.540 -5.530 1.00 0.00 N ATOM 0 H HIS A 51 9.392 1.711 -4.005 1.00 0.00 H new ATOM 0 HA HIS A 51 8.376 0.458 -1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.526 -1.043 -3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.891 0.176 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.649 -0.341 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.010 -4.509 -5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.473 -2.736 -6.161 1.00 0.00 H new ATOM 840 N SER A 52 10.085 -1.505 -1.195 1.00 0.00 N ATOM 841 CA SER A 52 11.152 -2.363 -0.694 1.00 0.00 C ATOM 842 C SER A 52 11.851 -3.091 -1.860 1.00 0.00 C ATOM 843 O SER A 52 12.180 -2.468 -2.867 1.00 0.00 O ATOM 844 CB SER A 52 10.581 -3.293 0.388 1.00 0.00 C ATOM 845 OG SER A 52 9.591 -4.155 -0.138 1.00 0.00 O ATOM 0 H SER A 52 9.150 -1.847 -0.975 1.00 0.00 H new ATOM 0 HA SER A 52 11.935 -1.774 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.387 -3.885 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.154 -2.696 1.194 1.00 0.00 H new ATOM 0 HG SER A 52 9.364 -4.837 0.528 1.00 0.00 H new ATOM 851 N ASP A 53 12.094 -4.401 -1.740 1.00 0.00 N ATOM 852 CA ASP A 53 12.634 -5.221 -2.822 1.00 0.00 C ATOM 853 C ASP A 53 12.209 -6.677 -2.605 1.00 0.00 C ATOM 854 O ASP A 53 13.000 -7.600 -2.787 1.00 0.00 O ATOM 855 CB ASP A 53 14.161 -5.047 -2.902 1.00 0.00 C ATOM 856 CG ASP A 53 14.756 -5.695 -4.152 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.263 -5.367 -5.253 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.701 -6.497 -3.986 1.00 0.00 O ATOM 0 H ASP A 53 11.919 -4.923 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 53 12.234 -4.901 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.404 -3.984 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.621 -5.484 -2.016 1.00 0.00 H new ATOM 863 N LEU A 54 10.947 -6.863 -2.194 1.00 0.00 N ATOM 864 CA LEU A 54 10.368 -8.132 -1.773 1.00 0.00 C ATOM 865 C LEU A 54 11.019 -8.602 -0.468 1.00 0.00 C ATOM 866 O LEU A 54 12.216 -8.878 -0.422 1.00 0.00 O ATOM 867 CB LEU A 54 10.434 -9.190 -2.894 1.00 0.00 C ATOM 868 CG LEU A 54 9.317 -10.248 -2.815 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.267 -10.983 -1.479 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.952 -9.659 -3.186 1.00 0.00 C ATOM 0 H LEU A 54 10.278 -6.095 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 54 9.307 -7.983 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.378 -8.687 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.401 -9.692 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 54 9.571 -11.002 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.457 -11.712 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.214 -11.496 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.094 -10.267 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.190 -10.436 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.706 -8.849 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.987 -9.273 -4.205 1.00 0.00 H new ATOM 882 N SER A 55 10.215 -8.703 0.595 1.00 0.00 N ATOM 883 CA SER A 55 10.636 -9.217 1.887 1.00 0.00 C ATOM 884 C SER A 55 9.676 -10.330 2.294 1.00 0.00 C ATOM 885 O SER A 55 8.834 -10.138 3.161 1.00 0.00 O ATOM 886 CB SER A 55 10.667 -8.069 2.905 1.00 0.00 C ATOM 887 OG SER A 55 11.134 -8.521 4.161 1.00 0.00 O ATOM 0 H SER A 55 9.235 -8.422 0.573 1.00 0.00 H new ATOM 0 HA SER A 55 11.642 -9.633 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.312 -7.270 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.668 -7.647 3.014 1.00 0.00 H new ATOM 0 HG SER A 55 11.147 -7.773 4.794 1.00 0.00 H new ATOM 893 N PHE A 56 9.809 -11.516 1.694 1.00 0.00 N ATOM 894 CA PHE A 56 8.920 -12.640 1.977 1.00 0.00 C ATOM 895 C PHE A 56 9.071 -13.220 3.397 1.00 0.00 C ATOM 896 O PHE A 56 8.391 -14.194 3.718 1.00 0.00 O ATOM 897 CB PHE A 56 9.041 -13.703 0.864 1.00 0.00 C ATOM 898 CG PHE A 56 10.438 -14.011 0.358 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.445 -14.346 1.274 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.732 -13.978 -1.019 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.756 -14.589 0.834 1.00 0.00 C ATOM 902 CE2 PHE A 56 12.040 -14.235 -1.464 1.00 0.00 C ATOM 903 CZ PHE A 56 13.056 -14.528 -0.537 1.00 0.00 C ATOM 0 H PHE A 56 10.531 -11.721 1.004 1.00 0.00 H new ATOM 0 HA PHE A 56 7.900 -12.256 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.601 -14.630 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.437 -13.377 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.211 -14.418 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.953 -13.755 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.532 -14.822 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.265 -14.207 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.065 -14.706 -0.878 1.00 0.00 H new ATOM 913 N SER A 57 9.924 -12.616 4.243 1.00 0.00 N ATOM 914 CA SER A 57 10.109 -12.908 5.661 1.00 0.00 C ATOM 915 C SER A 57 10.225 -14.413 5.932 1.00 0.00 C ATOM 916 O SER A 57 9.538 -14.901 6.821 1.00 0.00 O ATOM 917 CB SER A 57 8.984 -12.283 6.488 1.00 0.00 C ATOM 918 OG SER A 57 7.753 -12.927 6.237 1.00 0.00 O ATOM 0 H SER A 57 10.538 -11.865 3.927 1.00 0.00 H new ATOM 0 HA SER A 57 11.054 -12.460 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.225 -12.353 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.899 -11.223 6.250 1.00 0.00 H new ATOM 0 HG SER A 57 7.166 -12.325 5.733 1.00 0.00 H new ATOM 924 N LYS A 58 11.025 -15.117 5.118 1.00 0.00 N ATOM 925 CA LYS A 58 10.836 -16.485 4.615 1.00 0.00 C ATOM 926 C LYS A 58 10.348 -17.570 5.598 1.00 0.00 C ATOM 927 O LYS A 58 11.020 -18.585 5.772 1.00 0.00 O ATOM 928 CB LYS A 58 12.131 -16.914 3.900 1.00 0.00 C ATOM 929 CG LYS A 58 11.852 -17.940 2.792 1.00 0.00 C ATOM 930 CD LYS A 58 13.005 -18.928 2.567 1.00 0.00 C ATOM 931 CE LYS A 58 14.267 -18.300 1.957 1.00 0.00 C ATOM 932 NZ LYS A 58 15.045 -17.516 2.933 1.00 0.00 N ATOM 0 H LYS A 58 11.892 -14.711 4.766 1.00 0.00 H new ATOM 0 HA LYS A 58 9.982 -16.419 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.618 -16.038 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.824 -17.341 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.950 -18.498 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.650 -17.411 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.266 -19.386 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.659 -19.728 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.897 -19.089 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.981 -17.656 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.043 -17.489 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.671 -16.547 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.971 -17.958 3.871 1.00 0.00 H new ATOM 946 N ASP A 59 9.144 -17.406 6.162 1.00 0.00 N ATOM 947 CA ASP A 59 8.529 -18.337 7.098 1.00 0.00 C ATOM 948 C ASP A 59 7.240 -18.872 6.477 1.00 0.00 C ATOM 949 O ASP A 59 6.192 -18.884 7.122 1.00 0.00 O ATOM 950 CB ASP A 59 8.251 -17.605 8.422 1.00 0.00 C ATOM 951 CG ASP A 59 9.515 -17.049 9.080 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.564 -17.722 8.984 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.406 -15.959 9.684 1.00 0.00 O ATOM 0 H ASP A 59 8.558 -16.594 5.969 1.00 0.00 H new ATOM 0 HA ASP A 59 9.191 -19.178 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.555 -16.787 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.761 -18.291 9.113 1.00 0.00 H new ATOM 958 N TRP A 60 7.316 -19.264 5.199 1.00 0.00 N ATOM 959 CA TRP A 60 6.167 -19.595 4.366 1.00 0.00 C ATOM 960 C TRP A 60 5.203 -18.402 4.283 1.00 0.00 C ATOM 961 O TRP A 60 4.017 -18.525 4.586 1.00 0.00 O ATOM 962 CB TRP A 60 5.482 -20.882 4.852 1.00 0.00 C ATOM 963 CG TRP A 60 6.373 -22.075 5.032 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.119 -22.332 6.129 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.607 -23.196 4.127 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.799 -23.522 5.973 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.511 -24.102 4.755 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.144 -23.542 2.838 1.00 0.00 C ATOM 969 CZ2 TRP A 60 7.930 -25.293 4.142 1.00 0.00 C ATOM 970 CZ3 TRP A 60 6.558 -24.735 2.214 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.444 -25.611 2.864 1.00 0.00 C ATOM 0 H TRP A 60 8.205 -19.360 4.708 1.00 0.00 H new ATOM 0 HA TRP A 60 6.513 -19.797 3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.993 -20.672 5.803 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.698 -21.143 4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.175 -21.698 7.001 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.431 -23.921 6.667 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.462 -22.882 2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.617 -25.956 4.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.191 -24.979 1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 60 7.750 -26.527 2.381 1.00 0.00 H new ATOM 982 N SER A 61 5.730 -17.244 3.868 1.00 0.00 N ATOM 983 CA SER A 61 4.991 -15.999 3.687 1.00 0.00 C ATOM 984 C SER A 61 5.538 -15.289 2.447 1.00 0.00 C ATOM 985 O SER A 61 6.471 -15.789 1.818 1.00 0.00 O ATOM 986 CB SER A 61 5.138 -15.138 4.950 1.00 0.00 C ATOM 987 OG SER A 61 4.301 -13.999 4.899 1.00 0.00 O ATOM 0 H SER A 61 6.720 -17.150 3.642 1.00 0.00 H new ATOM 0 HA SER A 61 3.928 -16.189 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.891 -15.734 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.176 -14.824 5.059 1.00 0.00 H new ATOM 0 HG SER A 61 4.416 -13.472 5.717 1.00 0.00 H new ATOM 993 N PHE A 62 4.953 -14.143 2.078 1.00 0.00 N ATOM 994 CA PHE A 62 5.352 -13.393 0.900 1.00 0.00 C ATOM 995 C PHE A 62 4.755 -11.990 0.989 1.00 0.00 C ATOM 996 O PHE A 62 3.570 -11.875 1.304 1.00 0.00 O ATOM 997 CB PHE A 62 4.891 -14.131 -0.360 1.00 0.00 C ATOM 998 CG PHE A 62 5.714 -13.806 -1.582 1.00 0.00 C ATOM 999 CD1 PHE A 62 5.455 -12.660 -2.357 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.831 -14.609 -1.878 1.00 0.00 C ATOM 1001 CE1 PHE A 62 6.313 -12.340 -3.413 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.675 -14.293 -2.943 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.442 -13.131 -3.687 1.00 0.00 C ATOM 0 H PHE A 62 4.186 -13.715 2.597 1.00 0.00 H new ATOM 0 HA PHE A 62 6.437 -13.303 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.933 -15.205 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.848 -13.881 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.602 -12.034 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.037 -15.480 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.106 -11.475 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.503 -14.941 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.128 -12.843 -4.470 1.00 0.00 H new ATOM 1013 N TYR A 63 5.550 -10.931 0.752 1.00 0.00 N ATOM 1014 CA TYR A 63 5.034 -9.572 0.879 1.00 0.00 C ATOM 1015 C TYR A 63 6.007 -8.530 0.322 1.00 0.00 C ATOM 1016 O TYR A 63 7.115 -8.867 -0.082 1.00 0.00 O ATOM 1017 CB TYR A 63 4.806 -9.230 2.341 1.00 0.00 C ATOM 1018 CG TYR A 63 5.929 -9.401 3.324 1.00 0.00 C ATOM 1019 CD1 TYR A 63 6.716 -8.263 3.587 1.00 0.00 C ATOM 1020 CD2 TYR A 63 5.839 -10.422 4.286 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.424 -8.155 4.790 1.00 0.00 C ATOM 1022 CE2 TYR A 63 6.454 -10.257 5.532 1.00 0.00 C ATOM 1023 CZ TYR A 63 7.254 -9.128 5.786 1.00 0.00 C ATOM 1024 OH TYR A 63 7.856 -8.972 6.999 1.00 0.00 O ATOM 0 H TYR A 63 6.530 -10.995 0.478 1.00 0.00 H new ATOM 0 HA TYR A 63 4.104 -9.544 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.487 -8.189 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.970 -9.835 2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.774 -7.469 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.298 -11.330 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.098 -7.326 4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.314 -11.000 6.303 1.00 0.00 H new ATOM 0 HH TYR A 63 7.636 -9.734 7.574 1.00 0.00 H new ATOM 1034 N LEU A 64 5.609 -7.249 0.369 1.00 0.00 N ATOM 1035 CA LEU A 64 6.425 -6.116 -0.047 1.00 0.00 C ATOM 1036 C LEU A 64 5.776 -4.830 0.467 1.00 0.00 C ATOM 1037 O LEU A 64 4.559 -4.767 0.643 1.00 0.00 O ATOM 1038 CB LEU A 64 6.693 -6.106 -1.569 1.00 0.00 C ATOM 1039 CG LEU A 64 5.491 -5.827 -2.487 1.00 0.00 C ATOM 1040 CD1 LEU A 64 5.808 -6.136 -3.958 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.293 -6.704 -2.148 1.00 0.00 C ATOM 0 H LEU A 64 4.687 -6.974 0.707 1.00 0.00 H new ATOM 0 HA LEU A 64 7.417 -6.201 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.457 -5.356 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.113 -7.073 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 64 5.269 -4.771 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.932 -5.925 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.641 -5.515 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.077 -7.187 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.469 -6.471 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.567 -7.753 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.984 -6.516 -1.120 1.00 0.00 H new ATOM 1053 N LEU A 65 6.608 -3.826 0.761 1.00 0.00 N ATOM 1054 CA LEU A 65 6.210 -2.560 1.345 1.00 0.00 C ATOM 1055 C LEU A 65 6.269 -1.518 0.232 1.00 0.00 C ATOM 1056 O LEU A 65 7.289 -1.437 -0.448 1.00 0.00 O ATOM 1057 CB LEU A 65 7.196 -2.247 2.480 1.00 0.00 C ATOM 1058 CG LEU A 65 6.534 -1.624 3.710 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.591 -1.518 4.811 1.00 0.00 C ATOM 1060 CD2 LEU A 65 5.964 -0.231 3.453 1.00 0.00 C ATOM 0 H LEU A 65 7.612 -3.884 0.589 1.00 0.00 H new ATOM 0 HA LEU A 65 5.202 -2.574 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.701 -3.167 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.963 -1.568 2.107 1.00 0.00 H new ATOM 0 HG LEU A 65 5.698 -2.264 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.145 -1.076 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.969 -2.512 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.413 -0.890 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.510 0.151 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.765 0.438 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.209 -0.286 2.668 1.00 0.00 H new ATOM 1072 N TYR A 66 5.188 -0.752 0.028 1.00 0.00 N ATOM 1073 CA TYR A 66 5.072 0.197 -1.073 1.00 0.00 C ATOM 1074 C TYR A 66 4.730 1.589 -0.535 1.00 0.00 C ATOM 1075 O TYR A 66 3.600 1.817 -0.102 1.00 0.00 O ATOM 1076 CB TYR A 66 3.987 -0.274 -2.052 1.00 0.00 C ATOM 1077 CG TYR A 66 3.978 -1.745 -2.432 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.270 -2.660 -1.625 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.327 -2.117 -3.745 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.729 -3.825 -2.187 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.783 -3.281 -4.309 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.898 -4.070 -3.559 1.00 0.00 C ATOM 1083 OH TYR A 66 2.200 -5.062 -4.170 1.00 0.00 O ATOM 0 H TYR A 66 4.366 -0.779 0.631 1.00 0.00 H new ATOM 0 HA TYR A 66 6.025 0.251 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.016 -0.032 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.083 0.310 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.144 -2.463 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.012 -1.508 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.187 -4.527 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.045 -3.568 -5.317 1.00 0.00 H new ATOM 0 HH TYR A 66 1.464 -5.349 -3.590 1.00 0.00 H new ATOM 1093 N TYR A 67 5.717 2.497 -0.512 1.00 0.00 N ATOM 1094 CA TYR A 67 5.615 3.694 0.314 1.00 0.00 C ATOM 1095 C TYR A 67 6.152 4.948 -0.351 1.00 0.00 C ATOM 1096 O TYR A 67 7.099 4.898 -1.128 1.00 0.00 O ATOM 1097 CB TYR A 67 6.337 3.459 1.635 1.00 0.00 C ATOM 1098 CG TYR A 67 7.755 2.930 1.567 1.00 0.00 C ATOM 1099 CD1 TYR A 67 7.999 1.563 1.339 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.820 3.777 1.905 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.289 1.035 1.507 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.114 3.255 2.067 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.351 1.883 1.870 1.00 0.00 C ATOM 1104 OH TYR A 67 11.608 1.377 2.020 1.00 0.00 O ATOM 0 H TYR A 67 6.580 2.422 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 67 4.552 3.870 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.354 4.402 2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.744 2.759 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.190 0.917 1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.645 4.834 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.466 -0.020 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.928 3.909 2.343 1.00 0.00 H new ATOM 0 HH TYR A 67 12.223 2.098 2.271 1.00 0.00 H new ATOM 1114 N THR A 68 5.524 6.071 -0.003 1.00 0.00 N ATOM 1115 CA THR A 68 5.771 7.381 -0.604 1.00 0.00 C ATOM 1116 C THR A 68 5.841 8.471 0.471 1.00 0.00 C ATOM 1117 O THR A 68 5.588 8.206 1.646 1.00 0.00 O ATOM 1118 CB THR A 68 4.687 7.684 -1.651 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.114 8.723 -2.509 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.353 8.084 -1.013 1.00 0.00 C ATOM 0 H THR A 68 4.810 6.095 0.725 1.00 0.00 H new ATOM 0 HA THR A 68 6.738 7.366 -1.107 1.00 0.00 H new ATOM 0 HB THR A 68 4.530 6.765 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.820 8.389 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.622 8.287 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.993 7.271 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.494 8.979 -0.406 1.00 0.00 H new ATOM 1128 N GLU A 69 6.140 9.705 0.047 1.00 0.00 N ATOM 1129 CA GLU A 69 6.243 10.882 0.899 1.00 0.00 C ATOM 1130 C GLU A 69 5.064 11.820 0.627 1.00 0.00 C ATOM 1131 O GLU A 69 5.222 12.847 -0.031 1.00 0.00 O ATOM 1132 CB GLU A 69 7.588 11.568 0.654 1.00 0.00 C ATOM 1133 CG GLU A 69 8.763 10.635 0.938 1.00 0.00 C ATOM 1134 CD GLU A 69 10.090 11.363 0.753 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.468 11.557 -0.423 1.00 0.00 O ATOM 1136 OE2 GLU A 69 10.693 11.724 1.786 1.00 0.00 O ATOM 0 H GLU A 69 6.322 9.912 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 69 6.199 10.594 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.638 11.910 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.665 12.452 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.692 10.253 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.719 9.774 0.271 1.00 0.00 H new ATOM 1143 N PHE A 70 3.870 11.451 1.110 1.00 0.00 N ATOM 1144 CA PHE A 70 2.635 12.147 0.771 1.00 0.00 C ATOM 1145 C PHE A 70 2.507 13.497 1.476 1.00 0.00 C ATOM 1146 O PHE A 70 2.874 13.641 2.638 1.00 0.00 O ATOM 1147 CB PHE A 70 1.400 11.293 1.079 1.00 0.00 C ATOM 1148 CG PHE A 70 0.925 11.349 2.514 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.710 10.778 3.522 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.231 12.070 2.863 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.255 10.768 4.847 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.523 12.287 4.218 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.202 11.613 5.214 1.00 0.00 C ATOM 0 H PHE A 70 3.740 10.663 1.744 1.00 0.00 H new ATOM 0 HA PHE A 70 2.686 12.329 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.585 11.613 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.622 10.256 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.668 10.344 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.887 12.453 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.712 10.116 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.308 12.975 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.051 11.746 6.255 1.00 0.00 H new ATOM 1163 N THR A 71 1.939 14.463 0.757 1.00 0.00 N ATOM 1164 CA THR A 71 1.703 15.823 1.221 1.00 0.00 C ATOM 1165 C THR A 71 0.190 16.080 1.153 1.00 0.00 C ATOM 1166 O THR A 71 -0.331 16.276 0.056 1.00 0.00 O ATOM 1167 CB THR A 71 2.486 16.810 0.336 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.799 16.339 0.108 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.568 18.189 1.006 1.00 0.00 C ATOM 0 H THR A 71 1.620 14.311 -0.200 1.00 0.00 H new ATOM 0 HA THR A 71 2.047 15.960 2.246 1.00 0.00 H new ATOM 0 HB THR A 71 1.957 16.895 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.282 16.977 -0.457 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.125 18.872 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.562 18.578 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.075 18.097 1.966 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.542 16.044 2.279 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.995 16.157 2.288 1.00 0.00 C ATOM 1179 C PRO A 72 -2.424 17.623 2.181 1.00 0.00 C ATOM 1180 O PRO A 72 -2.902 18.217 3.145 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.433 15.511 3.602 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.258 15.808 4.536 1.00 0.00 C ATOM 1183 CD PRO A 72 -0.037 15.765 3.612 1.00 0.00 C ATOM 0 HA PRO A 72 -2.462 15.661 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.363 15.941 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.599 14.440 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.364 16.782 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.183 15.068 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.707 16.504 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.449 14.790 3.650 1.00 0.00 H new ATOM 1191 N THR A 73 -2.255 18.200 0.989 1.00 0.00 N ATOM 1192 CA THR A 73 -2.595 19.582 0.689 1.00 0.00 C ATOM 1193 C THR A 73 -4.105 19.800 0.827 1.00 0.00 C ATOM 1194 O THR A 73 -4.871 19.388 -0.040 1.00 0.00 O ATOM 1195 CB THR A 73 -2.097 19.942 -0.720 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.520 18.975 -1.656 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.568 20.020 -0.769 1.00 0.00 C ATOM 0 H THR A 73 -1.867 17.701 0.188 1.00 0.00 H new ATOM 0 HA THR A 73 -2.102 20.242 1.403 1.00 0.00 H new ATOM 0 HB THR A 73 -2.517 20.917 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.482 19.071 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.249 20.276 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.220 20.784 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.145 19.055 -0.489 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.513 20.454 1.921 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.884 20.831 2.243 1.00 0.00 C ATOM 1207 C GLU A 74 -6.819 19.625 2.369 1.00 0.00 C ATOM 1208 O GLU A 74 -7.103 19.185 3.482 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.421 21.895 1.270 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.604 23.191 1.318 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.240 24.261 0.436 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.289 24.794 0.858 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.674 24.519 -0.649 1.00 0.00 O ATOM 0 H GLU A 74 -3.854 20.748 2.642 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.859 21.286 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.407 21.497 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.461 22.114 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.541 23.549 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.584 22.997 0.985 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.325 19.128 1.235 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.296 18.045 1.157 1.00 0.00 C ATOM 1222 C LYS A 75 -7.803 16.926 0.231 1.00 0.00 C ATOM 1223 O LYS A 75 -8.602 16.081 -0.172 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.646 18.612 0.689 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.195 19.648 1.680 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.578 20.145 1.244 1.00 0.00 C ATOM 1227 CE LYS A 75 -12.134 21.128 2.279 1.00 0.00 C ATOM 1228 NZ LYS A 75 -13.463 21.630 1.890 1.00 0.00 N ATOM 0 H LYS A 75 -7.057 19.485 0.318 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.423 17.602 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.528 19.072 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.364 17.799 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.260 19.207 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.507 20.491 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.508 20.630 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.258 19.300 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.200 20.637 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.446 21.966 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.809 22.293 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.395 22.120 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.125 20.832 1.807 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.502 16.890 -0.091 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.928 15.811 -0.889 1.00 0.00 C ATOM 1244 C ASP A 76 -5.893 14.519 -0.064 1.00 0.00 C ATOM 1245 O ASP A 76 -5.005 14.334 0.767 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.532 16.189 -1.410 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.592 17.024 -2.688 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.088 18.167 -2.607 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.115 16.508 -3.723 1.00 0.00 O ATOM 0 H ASP A 76 -5.829 17.602 0.193 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.558 15.644 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.999 16.747 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.960 15.281 -1.600 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.861 13.625 -0.315 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.915 12.281 0.255 1.00 0.00 C ATOM 1256 C GLU A 77 -5.914 11.398 -0.493 1.00 0.00 C ATOM 1257 O GLU A 77 -5.626 11.657 -1.660 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.350 11.735 0.136 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.544 10.286 0.618 1.00 0.00 C ATOM 1260 CD GLU A 77 -8.283 10.102 2.116 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -7.094 10.021 2.497 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.282 10.038 2.866 1.00 0.00 O ATOM 0 H GLU A 77 -7.645 13.827 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.649 12.294 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.016 12.383 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.660 11.798 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.562 9.970 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.876 9.632 0.058 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.388 10.366 0.178 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.526 9.348 -0.414 1.00 0.00 C ATOM 1271 C TYR A 78 -5.100 7.961 -0.126 1.00 0.00 C ATOM 1272 O TYR A 78 -5.758 7.746 0.891 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.077 9.470 0.076 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.283 10.632 -0.490 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.649 11.955 -0.186 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.150 10.392 -1.290 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.959 13.029 -0.772 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.408 11.473 -1.805 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.822 12.792 -1.560 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.136 13.840 -2.102 1.00 0.00 O ATOM 0 H TYR A 78 -5.557 10.216 1.173 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.500 9.502 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.087 9.557 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.553 8.545 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.462 12.146 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.849 9.378 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.304 14.040 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.481 11.287 -2.389 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.179 14.608 -1.495 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.851 7.024 -1.047 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.308 5.650 -0.965 1.00 0.00 C ATOM 1292 C ALA A 79 -4.231 4.709 -1.494 1.00 0.00 C ATOM 1293 O ALA A 79 -3.272 5.138 -2.136 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.611 5.489 -1.757 1.00 0.00 C ATOM 0 H ALA A 79 -4.310 7.215 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.502 5.395 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.951 4.455 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.373 6.148 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.437 5.749 -2.801 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.422 3.418 -1.215 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.595 2.321 -1.681 1.00 0.00 C ATOM 1302 C CYS A 80 -4.433 1.497 -2.650 1.00 0.00 C ATOM 1303 O CYS A 80 -5.462 0.949 -2.262 1.00 0.00 O ATOM 1304 CB CYS A 80 -3.167 1.449 -0.493 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.229 2.300 0.797 1.00 0.00 S ATOM 0 H CYS A 80 -5.196 3.102 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.697 2.698 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.060 1.015 -0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.566 0.622 -0.870 1.00 0.00 H new ATOM 1310 N ARG A 81 -3.978 1.384 -3.900 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.471 0.374 -4.825 1.00 0.00 C ATOM 1312 C ARG A 81 -4.119 -1.002 -4.255 1.00 0.00 C ATOM 1313 O ARG A 81 -3.041 -1.150 -3.691 1.00 0.00 O ATOM 1314 CB ARG A 81 -3.801 0.626 -6.175 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.177 -0.393 -7.250 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.431 -0.073 -8.547 1.00 0.00 C ATOM 1317 NE ARG A 81 -3.883 1.198 -9.128 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.419 1.727 -10.272 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.403 1.154 -10.931 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.981 2.842 -10.757 1.00 0.00 N ATOM 0 H ARG A 81 -3.259 1.991 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.552 0.417 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.070 1.623 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.719 0.616 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.927 -1.399 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.253 -0.373 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.360 -0.024 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.586 -0.878 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.603 1.717 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.972 0.305 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.061 1.567 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.754 3.282 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.636 3.251 -11.625 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.008 -1.999 -4.356 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.728 -3.353 -3.910 1.00 0.00 C ATOM 1336 C VAL A 82 -5.288 -4.317 -4.957 1.00 0.00 C ATOM 1337 O VAL A 82 -6.488 -4.586 -4.970 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.313 -3.602 -2.507 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.707 -4.892 -1.960 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -5.026 -2.468 -1.512 1.00 0.00 C ATOM 0 H VAL A 82 -5.941 -1.880 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.654 -3.513 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.396 -3.664 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.107 -5.089 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.957 -5.721 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.624 -4.789 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.468 -2.711 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.949 -2.347 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.458 -1.539 -1.885 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.418 -4.801 -5.854 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.798 -5.640 -6.986 1.00 0.00 C ATOM 1352 C ASN A 83 -3.920 -6.898 -7.000 1.00 0.00 C ATOM 1353 O ASN A 83 -3.079 -7.040 -7.885 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.599 -4.872 -8.308 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.316 -3.529 -8.457 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -5.935 -3.008 -7.532 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.213 -2.948 -9.652 1.00 0.00 N ATOM 0 H ASN A 83 -3.416 -4.615 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.848 -5.916 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.531 -4.700 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.921 -5.518 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.655 -2.044 -9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.692 -3.407 -10.399 1.00 0.00 H new ATOM 1364 N HIS A 84 -4.097 -7.829 -6.051 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.401 -9.113 -6.109 1.00 0.00 C ATOM 1366 C HIS A 84 -4.055 -9.941 -7.220 1.00 0.00 C ATOM 1367 O HIS A 84 -5.235 -9.746 -7.513 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.551 -9.853 -4.777 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.803 -11.163 -4.723 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.430 -12.344 -4.336 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.488 -11.439 -5.000 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.468 -13.272 -4.358 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -1.289 -12.781 -4.764 1.00 0.00 N ATOM 0 H HIS A 84 -4.710 -7.715 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.340 -8.959 -6.305 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.197 -9.209 -3.972 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.609 -10.041 -4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.745 -10.733 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.624 -14.304 -4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.417 -13.299 -4.876 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.325 -10.892 -7.811 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.892 -11.797 -8.803 1.00 0.00 C ATOM 1383 C VAL A 85 -5.137 -12.518 -8.266 1.00 0.00 C ATOM 1384 O VAL A 85 -6.123 -12.648 -8.989 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.819 -12.764 -9.334 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.389 -13.820 -8.309 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -3.290 -13.452 -10.621 1.00 0.00 C ATOM 0 H VAL A 85 -2.337 -11.051 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.234 -11.206 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.944 -12.149 -9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.631 -14.468 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.977 -13.326 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.253 -14.418 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.514 -14.130 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.201 -14.016 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.491 -12.699 -11.383 1.00 0.00 H new ATOM 1397 N THR A 86 -5.107 -12.956 -6.998 1.00 0.00 N ATOM 1398 CA THR A 86 -6.214 -13.689 -6.393 1.00 0.00 C ATOM 1399 C THR A 86 -7.373 -12.770 -5.993 1.00 0.00 C ATOM 1400 O THR A 86 -8.506 -13.244 -5.931 1.00 0.00 O ATOM 1401 CB THR A 86 -5.730 -14.630 -5.273 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.262 -15.920 -5.488 1.00 0.00 O ATOM 1403 CG2 THR A 86 -6.129 -14.190 -3.861 1.00 0.00 C ATOM 0 H THR A 86 -4.316 -12.810 -6.371 1.00 0.00 H new ATOM 0 HA THR A 86 -6.635 -14.343 -7.156 1.00 0.00 H new ATOM 0 HB THR A 86 -4.641 -14.612 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.543 -16.530 -5.755 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.748 -14.908 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.708 -13.206 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.216 -14.142 -3.788 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.132 -11.465 -5.770 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.237 -10.516 -5.716 1.00 0.00 C ATOM 1413 C LEU A 87 -8.903 -10.486 -7.086 1.00 0.00 C ATOM 1414 O LEU A 87 -10.098 -10.755 -7.189 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.765 -9.100 -5.349 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.946 -8.747 -3.868 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.195 -9.693 -2.929 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.458 -7.311 -3.646 1.00 0.00 C ATOM 0 H LEU A 87 -6.206 -11.061 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.934 -10.838 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.711 -9.000 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.313 -8.377 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.005 -8.848 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.364 -9.390 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.557 -10.711 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.128 -9.653 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.580 -7.043 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.405 -7.238 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.041 -6.629 -4.264 1.00 0.00 H new ATOM 1430 N SER A 88 -8.134 -10.093 -8.111 1.00 0.00 N ATOM 1431 CA SER A 88 -8.601 -9.778 -9.458 1.00 0.00 C ATOM 1432 C SER A 88 -9.367 -8.448 -9.487 1.00 0.00 C ATOM 1433 O SER A 88 -9.153 -7.635 -10.384 1.00 0.00 O ATOM 1434 CB SER A 88 -9.392 -10.941 -10.077 1.00 0.00 C ATOM 1435 OG SER A 88 -9.573 -10.715 -11.460 1.00 0.00 O ATOM 0 H SER A 88 -7.125 -9.983 -8.014 1.00 0.00 H new ATOM 0 HA SER A 88 -7.724 -9.644 -10.091 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.860 -11.879 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.360 -11.037 -9.585 1.00 0.00 H new ATOM 0 HG SER A 88 -10.076 -11.460 -11.850 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.240 -8.212 -8.499 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.996 -6.980 -8.353 1.00 0.00 C ATOM 1443 C GLN A 89 -10.060 -5.894 -7.810 1.00 0.00 C ATOM 1444 O GLN A 89 -9.457 -6.102 -6.758 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.176 -7.198 -7.395 1.00 0.00 C ATOM 1446 CG GLN A 89 -13.111 -8.346 -7.803 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.716 -8.141 -9.190 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.727 -7.458 -9.333 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.105 -8.738 -10.215 1.00 0.00 N ATOM 0 H GLN A 89 -10.438 -8.894 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.395 -6.670 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.787 -7.398 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.755 -6.277 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.557 -9.285 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.913 -8.436 -7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.267 -9.297 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.476 -8.635 -11.160 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.905 -4.753 -8.501 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.946 -3.732 -8.117 1.00 0.00 C ATOM 1460 C PRO A 90 -9.485 -2.912 -6.939 1.00 0.00 C ATOM 1461 O PRO A 90 -10.289 -2.000 -7.130 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.741 -2.888 -9.380 1.00 0.00 C ATOM 1463 CG PRO A 90 -10.086 -2.994 -10.100 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.544 -4.414 -9.764 1.00 0.00 C ATOM 0 HA PRO A 90 -7.998 -4.145 -7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.496 -1.854 -9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.926 -3.273 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.795 -2.246 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.981 -2.847 -11.175 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.629 -4.464 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.254 -5.113 -10.548 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.061 -3.254 -5.716 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.623 -2.709 -4.488 1.00 0.00 C ATOM 1474 C LYS A 91 -8.799 -1.502 -4.035 1.00 0.00 C ATOM 1475 O LYS A 91 -7.736 -1.669 -3.442 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.661 -3.818 -3.426 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.494 -3.403 -2.206 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.223 -4.296 -0.987 1.00 0.00 C ATOM 1479 CE LYS A 91 -10.567 -5.769 -1.238 1.00 0.00 C ATOM 1480 NZ LYS A 91 -10.369 -6.581 -0.024 1.00 0.00 N ATOM 0 H LYS A 91 -8.309 -3.925 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.643 -2.361 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.079 -4.725 -3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.645 -4.055 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.271 -2.367 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.553 -3.448 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.172 -4.216 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.804 -3.932 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.603 -5.851 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.944 -6.158 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.610 -7.572 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.375 -6.521 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.982 -6.224 0.736 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.288 -0.284 -4.300 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.601 0.942 -3.923 1.00 0.00 C ATOM 1496 C ILE A 92 -9.023 1.327 -2.498 1.00 0.00 C ATOM 1497 O ILE A 92 -10.049 1.981 -2.313 1.00 0.00 O ATOM 1498 CB ILE A 92 -8.887 2.063 -4.942 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -8.864 1.613 -6.416 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -7.880 3.195 -4.711 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.574 0.916 -6.852 1.00 0.00 C ATOM 0 H ILE A 92 -10.173 -0.129 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.522 0.785 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.910 2.398 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.702 0.938 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.022 2.485 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.066 3.999 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.989 3.577 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.868 2.815 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.649 0.635 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.731 1.593 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.421 0.022 -6.248 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.247 0.911 -1.489 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.565 1.142 -0.083 1.00 0.00 C ATOM 1515 C VAL A 93 -7.948 2.464 0.376 1.00 0.00 C ATOM 1516 O VAL A 93 -6.731 2.623 0.326 1.00 0.00 O ATOM 1517 CB VAL A 93 -8.070 -0.030 0.784 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -8.474 0.188 2.250 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -8.667 -1.359 0.304 1.00 0.00 C ATOM 0 H VAL A 93 -7.375 0.401 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.647 1.205 0.032 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.984 -0.071 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.119 -0.647 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.031 1.114 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.560 0.252 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.301 -2.170 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.754 -1.313 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.370 -1.539 -0.729 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.783 3.399 0.850 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.326 4.668 1.405 1.00 0.00 C ATOM 1531 C LYS A 94 -7.480 4.448 2.661 1.00 0.00 C ATOM 1532 O LYS A 94 -7.813 3.615 3.502 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.514 5.583 1.729 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.191 6.123 0.465 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.263 7.148 0.849 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.863 7.793 -0.404 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.850 8.833 -0.061 1.00 0.00 N ATOM 0 H LYS A 94 -9.797 3.290 0.857 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.706 5.152 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.243 5.032 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.171 6.418 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.450 6.585 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.642 5.304 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.049 6.662 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.827 7.917 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.066 8.231 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.339 7.027 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.235 9.248 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.623 8.410 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.389 9.577 0.502 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.405 5.232 2.791 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.614 5.324 4.008 1.00 0.00 C ATOM 1553 C TRP A 95 -6.411 6.089 5.064 1.00 0.00 C ATOM 1554 O TRP A 95 -7.195 6.978 4.732 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.293 6.041 3.690 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.588 6.740 4.819 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.093 6.193 5.953 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.309 8.163 4.919 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.554 7.180 6.757 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.741 8.429 6.199 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.465 9.255 4.043 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.453 9.734 6.626 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -3.147 10.561 4.448 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.738 10.807 5.770 1.00 0.00 C ATOM 0 H TRP A 95 -6.060 5.827 2.038 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.388 4.331 4.396 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.606 5.307 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.490 6.777 2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.116 5.141 6.195 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.081 7.008 7.644 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.835 9.085 3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.018 9.909 7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.217 11.377 3.744 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.643 11.822 6.126 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.174 5.752 6.336 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.675 6.497 7.475 1.00 0.00 C ATOM 1577 C ASP A 96 -5.556 6.668 8.503 1.00 0.00 C ATOM 1578 O ASP A 96 -4.681 5.815 8.645 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.903 5.795 8.064 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.507 6.581 9.225 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -8.578 7.825 9.099 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.887 5.925 10.218 1.00 0.00 O ATOM 0 H ASP A 96 -5.618 4.938 6.598 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.994 7.491 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.654 5.664 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.622 4.799 8.407 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.595 7.807 9.196 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.624 8.238 10.190 1.00 0.00 C ATOM 1589 C ARG A 97 -5.048 7.670 11.548 1.00 0.00 C ATOM 1590 O ARG A 97 -5.619 8.372 12.381 1.00 0.00 O ATOM 1591 CB ARG A 97 -4.469 9.778 10.181 1.00 0.00 C ATOM 1592 CG ARG A 97 -5.643 10.549 9.544 1.00 0.00 C ATOM 1593 CD ARG A 97 -5.574 10.577 8.002 1.00 0.00 C ATOM 1594 NE ARG A 97 -6.906 10.439 7.382 1.00 0.00 N ATOM 1595 CZ ARG A 97 -7.152 10.147 6.088 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -6.158 9.940 5.220 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -8.412 10.059 5.642 1.00 0.00 N ATOM 0 H ARG A 97 -6.346 8.486 9.069 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.631 7.852 9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.344 10.121 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.554 10.033 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.583 10.091 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.648 11.572 9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.119 11.513 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.928 9.771 7.654 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.715 10.577 7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.188 10.001 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.369 9.721 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.191 10.213 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.592 9.838 4.663 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.759 6.380 11.748 1.00 0.00 N ATOM 1612 CA ASP A 98 -5.035 5.634 12.962 1.00 0.00 C ATOM 1613 C ASP A 98 -4.107 4.419 12.963 1.00 0.00 C ATOM 1614 O ASP A 98 -4.395 3.407 12.325 1.00 0.00 O ATOM 1615 CB ASP A 98 -6.515 5.240 13.004 1.00 0.00 C ATOM 1616 CG ASP A 98 -6.875 4.553 14.318 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -6.838 5.252 15.353 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -7.179 3.341 14.269 1.00 0.00 O ATOM 0 H ASP A 98 -4.307 5.811 11.032 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.848 6.229 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.133 6.129 12.876 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.739 4.574 12.171 1.00 0.00 H new ATOM 1623 N MET A 99 -2.959 4.558 13.633 1.00 0.00 N ATOM 1624 CA MET A 99 -1.877 3.583 13.641 1.00 0.00 C ATOM 1625 C MET A 99 -1.038 3.730 14.913 1.00 0.00 C ATOM 1626 O MET A 99 -1.241 4.735 15.630 1.00 0.00 O ATOM 1627 CB MET A 99 -1.035 3.716 12.358 1.00 0.00 C ATOM 1628 CG MET A 99 -0.430 5.111 12.119 1.00 0.00 C ATOM 1629 SD MET A 99 0.968 5.617 13.166 1.00 0.00 S ATOM 1630 CE MET A 99 2.252 4.477 12.585 1.00 0.00 C ATOM 1631 OXT MET A 99 -0.203 2.828 15.145 1.00 0.00 O ATOM 0 H MET A 99 -2.756 5.380 14.201 1.00 0.00 H new ATOM 0 HA MET A 99 -2.293 2.576 13.650 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.226 2.987 12.395 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.659 3.456 11.503 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.106 5.162 11.079 1.00 0.00 H new ATOM 0 HG3 MET A 99 -1.225 5.847 12.242 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.216 4.773 12.999 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.014 3.464 12.910 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.300 4.507 11.496 1.00 0.00 H new TER 1641 MET A 99