USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 624 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 45 CYS SG : rot -25:sc= -2.2 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -0.0442 X(o=-7.4,f=-7.3) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -7.23! F(o=-8.6,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.115) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0317) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 103:sc= 0.34 USER MOD Single : A 21 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.1) USER MOD Single : A 22 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 23 SER OG : rot 75:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.454 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 42 SER OG : rot 170:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -68:sc= 0.00657 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= -0.62 USER MOD Single : A 52 MET CE :methyl -165:sc= -1.53 (180deg=-1.64) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00983 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.0125 (180deg=0.0122) USER MOD Single : A 58 SER OG : rot -105:sc= 0.404 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.15) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -172:sc= 0 (180deg=-0.0307) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00512 X(o=-0.0051,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.808 13.892 -13.970 1.00 0.00 N ATOM 2 CA MET A 1 -24.427 13.544 -14.411 1.00 0.00 C ATOM 3 C MET A 1 -23.422 13.859 -13.298 1.00 0.00 C ATOM 4 O MET A 1 -23.327 14.980 -12.837 1.00 0.00 O ATOM 5 CB MET A 1 -24.167 14.425 -15.633 1.00 0.00 C ATOM 6 CG MET A 1 -23.034 13.822 -16.466 1.00 0.00 C ATOM 7 SD MET A 1 -23.660 12.401 -17.396 1.00 0.00 S ATOM 8 CE MET A 1 -22.717 12.690 -18.914 1.00 0.00 C ATOM 0 H1 MET A 1 -26.481 13.674 -14.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.052 13.338 -13.124 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.855 14.906 -13.746 1.00 0.00 H new ATOM 0 HA MET A 1 -24.322 12.484 -14.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.072 14.506 -16.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.903 15.434 -15.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.633 14.570 -17.150 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.215 13.513 -15.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.953 11.914 -19.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.979 13.665 -19.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.651 12.665 -18.690 1.00 0.00 H new ATOM 20 N GLY A 2 -22.674 12.875 -12.869 1.00 0.00 N ATOM 21 CA GLY A 2 -21.673 13.106 -11.786 1.00 0.00 C ATOM 22 C GLY A 2 -22.356 12.988 -10.423 1.00 0.00 C ATOM 23 O GLY A 2 -23.570 13.007 -10.325 1.00 0.00 O ATOM 0 H GLY A 2 -22.714 11.919 -13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.864 12.379 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.225 14.094 -11.895 1.00 0.00 H new ATOM 27 N LYS A 3 -21.585 12.866 -9.373 1.00 0.00 N ATOM 28 CA LYS A 3 -22.182 12.746 -8.008 1.00 0.00 C ATOM 29 C LYS A 3 -21.197 13.262 -6.956 1.00 0.00 C ATOM 30 O LYS A 3 -21.158 12.775 -5.841 1.00 0.00 O ATOM 31 CB LYS A 3 -22.438 11.251 -7.817 1.00 0.00 C ATOM 32 CG LYS A 3 -23.520 11.049 -6.755 1.00 0.00 C ATOM 33 CD LYS A 3 -24.901 11.212 -7.393 1.00 0.00 C ATOM 34 CE LYS A 3 -25.254 9.946 -8.176 1.00 0.00 C ATOM 35 NZ LYS A 3 -26.265 10.384 -9.179 1.00 0.00 N ATOM 0 H LYS A 3 -20.566 12.844 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.096 13.331 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.751 10.802 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.519 10.750 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -23.428 10.058 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.393 11.772 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.650 11.397 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.907 12.076 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.374 9.523 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.657 9.175 -7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.557 9.569 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -27.094 10.776 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.851 11.113 -9.794 1.00 0.00 H new ATOM 49 N GLY A 4 -20.404 14.243 -7.304 1.00 0.00 N ATOM 50 CA GLY A 4 -19.417 14.797 -6.330 1.00 0.00 C ATOM 51 C GLY A 4 -19.957 16.102 -5.743 1.00 0.00 C ATOM 52 O GLY A 4 -21.091 16.175 -5.309 1.00 0.00 O ATOM 0 H GLY A 4 -20.398 14.685 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.233 14.076 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.463 14.976 -6.825 1.00 0.00 H new ATOM 56 N ASP A 5 -19.150 17.133 -5.729 1.00 0.00 N ATOM 57 CA ASP A 5 -19.607 18.442 -5.170 1.00 0.00 C ATOM 58 C ASP A 5 -19.821 19.457 -6.304 1.00 0.00 C ATOM 59 O ASP A 5 -19.440 19.205 -7.430 1.00 0.00 O ATOM 60 CB ASP A 5 -18.473 18.896 -4.250 1.00 0.00 C ATOM 61 CG ASP A 5 -18.755 18.427 -2.822 1.00 0.00 C ATOM 62 OD1 ASP A 5 -18.576 17.249 -2.560 1.00 0.00 O ATOM 63 OD2 ASP A 5 -19.146 19.253 -2.014 1.00 0.00 O ATOM 0 H ASP A 5 -18.193 17.125 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.554 18.357 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.524 18.488 -4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -18.382 19.982 -4.276 1.00 0.00 H new ATOM 68 N PRO A 6 -20.425 20.580 -5.977 1.00 0.00 N ATOM 69 CA PRO A 6 -20.678 21.625 -7.002 1.00 0.00 C ATOM 70 C PRO A 6 -19.372 22.329 -7.361 1.00 0.00 C ATOM 71 O PRO A 6 -19.092 22.607 -8.512 1.00 0.00 O ATOM 72 CB PRO A 6 -21.608 22.606 -6.297 1.00 0.00 C ATOM 73 CG PRO A 6 -21.311 22.429 -4.844 1.00 0.00 C ATOM 74 CD PRO A 6 -20.925 20.986 -4.652 1.00 0.00 C ATOM 0 HA PRO A 6 -21.096 21.222 -7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -21.420 23.631 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.653 22.389 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.503 23.090 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -22.181 22.680 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.160 20.875 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.777 20.381 -4.343 1.00 0.00 H new ATOM 82 N ASN A 7 -18.587 22.635 -6.365 1.00 0.00 N ATOM 83 CA ASN A 7 -17.299 23.344 -6.601 1.00 0.00 C ATOM 84 C ASN A 7 -16.121 22.483 -6.133 1.00 0.00 C ATOM 85 O ASN A 7 -15.051 22.517 -6.712 1.00 0.00 O ATOM 86 CB ASN A 7 -17.412 24.621 -5.758 1.00 0.00 C ATOM 87 CG ASN A 7 -17.569 25.837 -6.674 1.00 0.00 C ATOM 88 OD1 ASN A 7 -16.648 26.611 -6.841 1.00 0.00 O ATOM 89 ND2 ASN A 7 -18.709 26.035 -7.278 1.00 0.00 N ATOM 0 H ASN A 7 -18.786 22.421 -5.388 1.00 0.00 H new ATOM 0 HA ASN A 7 -17.122 23.558 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -18.267 24.549 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.525 24.736 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -18.828 26.841 -7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.481 25.384 -7.136 1.00 0.00 H new ATOM 96 N LYS A 8 -16.311 21.714 -5.091 1.00 0.00 N ATOM 97 CA LYS A 8 -15.205 20.849 -4.579 1.00 0.00 C ATOM 98 C LYS A 8 -15.122 19.553 -5.402 1.00 0.00 C ATOM 99 O LYS A 8 -16.054 19.213 -6.103 1.00 0.00 O ATOM 100 CB LYS A 8 -15.579 20.542 -3.129 1.00 0.00 C ATOM 101 CG LYS A 8 -15.110 21.687 -2.229 1.00 0.00 C ATOM 102 CD LYS A 8 -15.011 21.195 -0.784 1.00 0.00 C ATOM 103 CE LYS A 8 -14.292 22.246 0.064 1.00 0.00 C ATOM 104 NZ LYS A 8 -15.303 23.316 0.289 1.00 0.00 N ATOM 0 H LYS A 8 -17.186 21.648 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.232 21.335 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.658 20.413 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.119 19.605 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.141 22.055 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.807 22.522 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.007 21.008 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.470 20.250 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.948 21.823 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.413 22.635 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.925 24.226 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.171 23.089 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.520 23.381 1.304 1.00 0.00 H new ATOM 118 N PRO A 9 -14.005 18.862 -5.296 1.00 0.00 N ATOM 119 CA PRO A 9 -13.830 17.598 -6.053 1.00 0.00 C ATOM 120 C PRO A 9 -14.689 16.486 -5.442 1.00 0.00 C ATOM 121 O PRO A 9 -15.266 16.648 -4.383 1.00 0.00 O ATOM 122 CB PRO A 9 -12.344 17.284 -5.897 1.00 0.00 C ATOM 123 CG PRO A 9 -11.931 17.973 -4.636 1.00 0.00 C ATOM 124 CD PRO A 9 -12.819 19.180 -4.480 1.00 0.00 C ATOM 0 HA PRO A 9 -14.134 17.680 -7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.173 16.209 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.772 17.648 -6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.034 17.305 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.883 18.269 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.086 19.346 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.325 20.086 -4.831 1.00 0.00 H new ATOM 132 N ARG A 10 -14.778 15.360 -6.105 1.00 0.00 N ATOM 133 CA ARG A 10 -15.604 14.230 -5.572 1.00 0.00 C ATOM 134 C ARG A 10 -15.106 13.810 -4.183 1.00 0.00 C ATOM 135 O ARG A 10 -14.133 14.336 -3.677 1.00 0.00 O ATOM 136 CB ARG A 10 -15.432 13.086 -6.582 1.00 0.00 C ATOM 137 CG ARG A 10 -13.956 12.681 -6.678 1.00 0.00 C ATOM 138 CD ARG A 10 -13.731 11.877 -7.962 1.00 0.00 C ATOM 139 NE ARG A 10 -13.814 12.879 -9.062 1.00 0.00 N ATOM 140 CZ ARG A 10 -12.733 13.241 -9.697 1.00 0.00 C ATOM 141 NH1 ARG A 10 -12.071 12.368 -10.407 1.00 0.00 N ATOM 142 NH2 ARG A 10 -12.313 14.474 -9.621 1.00 0.00 N ATOM 0 H ARG A 10 -14.314 15.173 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.651 14.510 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.033 12.229 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.795 13.398 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.323 13.569 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.674 12.086 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.761 11.381 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.486 11.099 -8.078 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.715 13.282 -9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.399 11.404 -10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.226 12.650 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.830 15.155 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.468 14.756 -10.118 1.00 0.00 H new ATOM 156 N GLY A 11 -15.771 12.865 -3.568 1.00 0.00 N ATOM 157 CA GLY A 11 -15.348 12.400 -2.214 1.00 0.00 C ATOM 158 C GLY A 11 -14.853 10.956 -2.303 1.00 0.00 C ATOM 159 O GLY A 11 -15.374 10.071 -1.652 1.00 0.00 O ATOM 0 H GLY A 11 -16.592 12.394 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.558 13.043 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.183 12.467 -1.517 1.00 0.00 H new ATOM 163 N LYS A 12 -13.847 10.713 -3.109 1.00 0.00 N ATOM 164 CA LYS A 12 -13.298 9.324 -3.259 1.00 0.00 C ATOM 165 C LYS A 12 -14.415 8.333 -3.609 1.00 0.00 C ATOM 166 O LYS A 12 -15.566 8.707 -3.751 1.00 0.00 O ATOM 167 CB LYS A 12 -12.676 8.979 -1.901 1.00 0.00 C ATOM 168 CG LYS A 12 -11.365 8.220 -2.116 1.00 0.00 C ATOM 169 CD LYS A 12 -10.584 8.167 -0.801 1.00 0.00 C ATOM 170 CE LYS A 12 -11.254 7.174 0.151 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.679 7.479 1.491 1.00 0.00 N ATOM 0 H LYS A 12 -13.378 11.421 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.566 9.266 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.492 9.890 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.368 8.373 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.571 7.210 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.770 8.712 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.553 7.867 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.550 9.157 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.337 7.295 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.048 6.145 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.012 6.775 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.641 7.448 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.983 8.427 1.791 1.00 0.00 H new ATOM 185 N MET A 13 -14.081 7.076 -3.751 1.00 0.00 N ATOM 186 CA MET A 13 -15.115 6.053 -4.098 1.00 0.00 C ATOM 187 C MET A 13 -14.898 4.765 -3.295 1.00 0.00 C ATOM 188 O MET A 13 -15.837 4.153 -2.824 1.00 0.00 O ATOM 189 CB MET A 13 -14.924 5.790 -5.592 1.00 0.00 C ATOM 190 CG MET A 13 -15.533 6.940 -6.395 1.00 0.00 C ATOM 191 SD MET A 13 -15.555 6.503 -8.152 1.00 0.00 S ATOM 192 CE MET A 13 -16.885 7.624 -8.649 1.00 0.00 C ATOM 0 H MET A 13 -13.134 6.712 -3.641 1.00 0.00 H new ATOM 0 HA MET A 13 -16.122 6.398 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.863 5.694 -5.822 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.397 4.848 -5.870 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.546 7.144 -6.047 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.954 7.851 -6.243 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.069 7.519 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.793 7.378 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.595 8.652 -8.430 1.00 0.00 H new ATOM 202 N SER A 14 -13.663 4.343 -3.138 1.00 0.00 N ATOM 203 CA SER A 14 -13.367 3.084 -2.373 1.00 0.00 C ATOM 204 C SER A 14 -14.007 1.881 -3.071 1.00 0.00 C ATOM 205 O SER A 14 -14.891 2.026 -3.894 1.00 0.00 O ATOM 206 CB SER A 14 -13.961 3.279 -0.970 1.00 0.00 C ATOM 207 OG SER A 14 -13.204 2.523 -0.033 1.00 0.00 O ATOM 0 H SER A 14 -12.841 4.820 -3.509 1.00 0.00 H new ATOM 0 HA SER A 14 -12.295 2.892 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.947 4.335 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.003 2.960 -0.956 1.00 0.00 H new ATOM 0 HG SER A 14 -13.578 2.645 0.864 1.00 0.00 H new ATOM 213 N SER A 15 -13.555 0.695 -2.751 1.00 0.00 N ATOM 214 CA SER A 15 -14.117 -0.533 -3.397 1.00 0.00 C ATOM 215 C SER A 15 -15.625 -0.641 -3.146 1.00 0.00 C ATOM 216 O SER A 15 -16.356 -1.181 -3.955 1.00 0.00 O ATOM 217 CB SER A 15 -13.384 -1.703 -2.741 1.00 0.00 C ATOM 218 OG SER A 15 -13.610 -1.670 -1.337 1.00 0.00 O ATOM 0 H SER A 15 -12.818 0.522 -2.067 1.00 0.00 H new ATOM 0 HA SER A 15 -13.981 -0.517 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.737 -2.647 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.316 -1.642 -2.951 1.00 0.00 H new ATOM 0 HG SER A 15 -14.277 -2.347 -1.097 1.00 0.00 H new ATOM 224 N TYR A 16 -16.092 -0.141 -2.031 1.00 0.00 N ATOM 225 CA TYR A 16 -17.555 -0.225 -1.723 1.00 0.00 C ATOM 226 C TYR A 16 -18.374 0.511 -2.789 1.00 0.00 C ATOM 227 O TYR A 16 -19.530 0.200 -3.013 1.00 0.00 O ATOM 228 CB TYR A 16 -17.723 0.448 -0.360 1.00 0.00 C ATOM 229 CG TYR A 16 -18.871 -0.197 0.378 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.185 0.222 0.133 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.624 -1.215 1.307 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.250 -0.377 0.816 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.689 -1.813 1.991 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.002 -1.394 1.745 1.00 0.00 C ATOM 235 OH TYR A 16 -22.052 -1.985 2.419 1.00 0.00 O ATOM 0 H TYR A 16 -15.526 0.322 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.907 -1.257 -1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.805 0.355 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.912 1.514 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.376 1.007 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.611 -1.539 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.263 -0.054 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.498 -2.597 2.708 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.706 -2.673 3.025 1.00 0.00 H new ATOM 245 N ALA A 17 -17.788 1.481 -3.444 1.00 0.00 N ATOM 246 CA ALA A 17 -18.535 2.238 -4.496 1.00 0.00 C ATOM 247 C ALA A 17 -18.536 1.460 -5.814 1.00 0.00 C ATOM 248 O ALA A 17 -19.496 1.491 -6.560 1.00 0.00 O ATOM 249 CB ALA A 17 -17.775 3.555 -4.655 1.00 0.00 C ATOM 0 H ALA A 17 -16.825 1.782 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.578 2.398 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.264 4.168 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.769 4.089 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.750 3.349 -4.961 1.00 0.00 H new ATOM 255 N PHE A 18 -17.466 0.764 -6.104 1.00 0.00 N ATOM 256 CA PHE A 18 -17.396 -0.019 -7.376 1.00 0.00 C ATOM 257 C PHE A 18 -18.227 -1.301 -7.263 1.00 0.00 C ATOM 258 O PHE A 18 -18.693 -1.836 -8.251 1.00 0.00 O ATOM 259 CB PHE A 18 -15.915 -0.354 -7.558 1.00 0.00 C ATOM 260 CG PHE A 18 -15.166 0.889 -7.975 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.330 1.404 -9.266 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.309 1.527 -7.070 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.637 2.557 -9.654 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.615 2.679 -7.457 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.779 3.195 -8.749 1.00 0.00 C ATOM 0 H PHE A 18 -16.636 0.704 -5.514 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.794 0.540 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.503 -0.745 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.797 -1.133 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.992 0.912 -9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.184 1.130 -6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.764 2.954 -10.650 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.953 3.170 -6.759 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.244 4.085 -9.047 1.00 0.00 H new ATOM 275 N PHE A 19 -18.415 -1.799 -6.065 1.00 0.00 N ATOM 276 CA PHE A 19 -19.215 -3.050 -5.886 1.00 0.00 C ATOM 277 C PHE A 19 -20.691 -2.787 -6.201 1.00 0.00 C ATOM 278 O PHE A 19 -21.309 -3.513 -6.958 1.00 0.00 O ATOM 279 CB PHE A 19 -19.042 -3.432 -4.414 1.00 0.00 C ATOM 280 CG PHE A 19 -19.325 -4.906 -4.242 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.615 -5.850 -4.993 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.299 -5.328 -3.330 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.878 -7.215 -4.833 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.563 -6.694 -3.169 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.853 -7.637 -3.920 1.00 0.00 C ATOM 0 H PHE A 19 -18.049 -1.393 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.884 -3.846 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.028 -3.204 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.719 -2.845 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.863 -5.524 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.847 -4.600 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.330 -7.943 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.315 -7.019 -2.465 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.057 -8.690 -3.796 1.00 0.00 H new ATOM 295 N VAL A 20 -21.256 -1.755 -5.628 1.00 0.00 N ATOM 296 CA VAL A 20 -22.694 -1.438 -5.892 1.00 0.00 C ATOM 297 C VAL A 20 -22.856 -0.880 -7.310 1.00 0.00 C ATOM 298 O VAL A 20 -23.875 -1.074 -7.946 1.00 0.00 O ATOM 299 CB VAL A 20 -23.073 -0.384 -4.843 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.532 0.043 -5.035 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.900 -0.977 -3.442 1.00 0.00 C ATOM 0 H VAL A 20 -20.784 -1.117 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.333 -2.319 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.426 0.485 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.794 0.791 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.659 0.466 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.183 -0.824 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.169 -0.230 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.546 -1.848 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.862 -1.276 -3.299 1.00 0.00 H new ATOM 311 N GLN A 21 -21.859 -0.192 -7.807 1.00 0.00 N ATOM 312 CA GLN A 21 -21.952 0.379 -9.186 1.00 0.00 C ATOM 313 C GLN A 21 -21.868 -0.739 -10.227 1.00 0.00 C ATOM 314 O GLN A 21 -22.418 -0.635 -11.307 1.00 0.00 O ATOM 315 CB GLN A 21 -20.754 1.323 -9.313 1.00 0.00 C ATOM 316 CG GLN A 21 -20.948 2.234 -10.527 1.00 0.00 C ATOM 317 CD GLN A 21 -20.595 1.470 -11.803 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.518 0.917 -11.916 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.461 1.415 -12.778 1.00 0.00 N ATOM 0 H GLN A 21 -20.985 -0.001 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.895 0.899 -9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.652 1.922 -8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.834 0.748 -9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.980 2.581 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.318 3.119 -10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.365 1.879 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.234 0.908 -13.634 1.00 0.00 H new ATOM 328 N THR A 22 -21.183 -1.808 -9.907 1.00 0.00 N ATOM 329 CA THR A 22 -21.058 -2.941 -10.871 1.00 0.00 C ATOM 330 C THR A 22 -22.085 -4.031 -10.546 1.00 0.00 C ATOM 331 O THR A 22 -22.513 -4.768 -11.415 1.00 0.00 O ATOM 332 CB THR A 22 -19.635 -3.471 -10.676 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.715 -2.393 -10.768 1.00 0.00 O ATOM 334 CG2 THR A 22 -19.321 -4.506 -11.758 1.00 0.00 C ATOM 0 H THR A 22 -20.704 -1.944 -9.017 1.00 0.00 H new ATOM 0 HA THR A 22 -21.241 -2.629 -11.899 1.00 0.00 H new ATOM 0 HB THR A 22 -19.552 -3.939 -9.695 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.365 -2.185 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.308 -4.883 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.028 -5.332 -11.687 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.403 -4.041 -12.741 1.00 0.00 H new ATOM 342 N SER A 23 -22.480 -4.134 -9.303 1.00 0.00 N ATOM 343 CA SER A 23 -23.481 -5.175 -8.913 1.00 0.00 C ATOM 344 C SER A 23 -24.886 -4.749 -9.350 1.00 0.00 C ATOM 345 O SER A 23 -25.737 -5.577 -9.616 1.00 0.00 O ATOM 346 CB SER A 23 -23.396 -5.261 -7.390 1.00 0.00 C ATOM 347 OG SER A 23 -22.171 -5.883 -7.022 1.00 0.00 O ATOM 0 H SER A 23 -22.153 -3.542 -8.540 1.00 0.00 H new ATOM 0 HA SER A 23 -23.279 -6.136 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.456 -4.264 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.239 -5.831 -6.999 1.00 0.00 H new ATOM 0 HG SER A 23 -21.432 -5.252 -7.152 1.00 0.00 H new ATOM 353 N ARG A 24 -25.131 -3.465 -9.425 1.00 0.00 N ATOM 354 CA ARG A 24 -26.480 -2.978 -9.845 1.00 0.00 C ATOM 355 C ARG A 24 -26.644 -3.121 -11.361 1.00 0.00 C ATOM 356 O ARG A 24 -27.718 -3.414 -11.851 1.00 0.00 O ATOM 357 CB ARG A 24 -26.521 -1.504 -9.437 1.00 0.00 C ATOM 358 CG ARG A 24 -27.975 -1.044 -9.325 1.00 0.00 C ATOM 359 CD ARG A 24 -28.438 -0.480 -10.670 1.00 0.00 C ATOM 360 NE ARG A 24 -28.110 0.971 -10.612 1.00 0.00 N ATOM 361 CZ ARG A 24 -27.784 1.611 -11.701 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.652 1.740 -12.666 1.00 0.00 N ATOM 363 NH2 ARG A 24 -26.589 2.120 -11.825 1.00 0.00 N ATOM 0 H ARG A 24 -24.454 -2.732 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.285 -3.548 -9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -26.011 -1.366 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.993 -0.898 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.610 -1.880 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.068 -0.284 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.926 -0.968 -11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -29.506 -0.638 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 24 -28.140 1.465 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -29.585 1.341 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -28.397 2.240 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.910 2.017 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.334 2.620 -12.676 1.00 0.00 H new ATOM 377 N GLU A 25 -25.584 -2.917 -12.101 1.00 0.00 N ATOM 378 CA GLU A 25 -25.670 -3.041 -13.589 1.00 0.00 C ATOM 379 C GLU A 25 -25.968 -4.491 -13.979 1.00 0.00 C ATOM 380 O GLU A 25 -26.869 -4.763 -14.750 1.00 0.00 O ATOM 381 CB GLU A 25 -24.295 -2.619 -14.112 1.00 0.00 C ATOM 382 CG GLU A 25 -24.160 -1.097 -14.024 1.00 0.00 C ATOM 383 CD GLU A 25 -23.104 -0.619 -15.021 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.938 -0.902 -14.800 1.00 0.00 O ATOM 385 OE2 GLU A 25 -23.479 0.022 -15.990 1.00 0.00 O ATOM 0 H GLU A 25 -24.663 -2.670 -11.740 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.467 -2.425 -14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.509 -3.099 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.171 -2.947 -15.144 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.118 -0.624 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.879 -0.804 -13.012 1.00 0.00 H new ATOM 392 N GLU A 26 -25.217 -5.421 -13.446 1.00 0.00 N ATOM 393 CA GLU A 26 -25.451 -6.861 -13.776 1.00 0.00 C ATOM 394 C GLU A 26 -26.841 -7.300 -13.300 1.00 0.00 C ATOM 395 O GLU A 26 -27.410 -8.244 -13.815 1.00 0.00 O ATOM 396 CB GLU A 26 -24.361 -7.630 -13.026 1.00 0.00 C ATOM 397 CG GLU A 26 -24.384 -9.099 -13.455 1.00 0.00 C ATOM 398 CD GLU A 26 -23.199 -9.834 -12.827 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.268 -10.128 -11.645 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.241 -10.088 -13.538 1.00 0.00 O ATOM 0 H GLU A 26 -24.451 -5.246 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.411 -7.044 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.384 -7.194 -13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.521 -7.552 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.320 -9.564 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.336 -9.172 -14.541 1.00 0.00 H new ATOM 407 N HIS A 27 -27.389 -6.624 -12.319 1.00 0.00 N ATOM 408 CA HIS A 27 -28.742 -7.003 -11.807 1.00 0.00 C ATOM 409 C HIS A 27 -29.812 -6.696 -12.860 1.00 0.00 C ATOM 410 O HIS A 27 -30.670 -7.511 -13.140 1.00 0.00 O ATOM 411 CB HIS A 27 -28.958 -6.142 -10.561 1.00 0.00 C ATOM 412 CG HIS A 27 -30.195 -6.601 -9.841 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.501 -6.182 -9.903 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.172 -7.631 -8.914 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.277 -6.938 -9.030 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.427 -7.795 -8.458 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.957 -5.827 -11.852 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.810 -8.067 -11.582 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.093 -6.214 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.057 -5.094 -10.843 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.304 -8.199 -8.612 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.339 -6.851 -8.853 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.696 -8.489 -7.761 1.00 0.00 H new ATOM 424 N LYS A 28 -29.765 -5.524 -13.440 1.00 0.00 N ATOM 425 CA LYS A 28 -30.778 -5.151 -14.475 1.00 0.00 C ATOM 426 C LYS A 28 -30.686 -6.095 -15.678 1.00 0.00 C ATOM 427 O LYS A 28 -31.659 -6.323 -16.373 1.00 0.00 O ATOM 428 CB LYS A 28 -30.424 -3.721 -14.891 1.00 0.00 C ATOM 429 CG LYS A 28 -31.184 -2.731 -14.008 1.00 0.00 C ATOM 430 CD LYS A 28 -32.625 -2.604 -14.505 1.00 0.00 C ATOM 431 CE LYS A 28 -33.268 -1.355 -13.899 1.00 0.00 C ATOM 432 NZ LYS A 28 -33.724 -1.775 -12.545 1.00 0.00 N ATOM 0 H LYS A 28 -29.067 -4.807 -13.241 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.796 -5.223 -14.092 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.350 -3.559 -14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.680 -3.562 -15.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.174 -3.070 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -30.694 -1.758 -14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -32.641 -2.542 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -33.196 -3.490 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.554 -0.534 -13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -34.103 -1.007 -14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -34.176 -0.970 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -34.408 -2.553 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.907 -2.095 -11.987 1.00 0.00 H new ATOM 446 N LYS A 29 -29.522 -6.641 -15.929 1.00 0.00 N ATOM 447 CA LYS A 29 -29.361 -7.570 -17.091 1.00 0.00 C ATOM 448 C LYS A 29 -30.278 -8.788 -16.935 1.00 0.00 C ATOM 449 O LYS A 29 -30.676 -9.401 -17.908 1.00 0.00 O ATOM 450 CB LYS A 29 -27.892 -8.002 -17.064 1.00 0.00 C ATOM 451 CG LYS A 29 -27.021 -6.881 -17.633 1.00 0.00 C ATOM 452 CD LYS A 29 -25.689 -7.463 -18.112 1.00 0.00 C ATOM 453 CE LYS A 29 -24.990 -6.456 -19.028 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.098 -7.278 -19.892 1.00 0.00 N ATOM 0 H LYS A 29 -28.677 -6.484 -15.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.627 -7.091 -18.033 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.588 -8.231 -16.043 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.759 -8.913 -17.648 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.535 -6.391 -18.460 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -26.845 -6.121 -16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.053 -7.695 -17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.860 -8.398 -18.646 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.711 -5.897 -19.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -24.420 -5.727 -18.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.583 -6.658 -20.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.418 -7.793 -19.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.669 -7.958 -20.433 1.00 0.00 H new ATOM 468 N LYS A 30 -30.614 -9.141 -15.719 1.00 0.00 N ATOM 469 CA LYS A 30 -31.504 -10.322 -15.496 1.00 0.00 C ATOM 470 C LYS A 30 -32.687 -9.952 -14.591 1.00 0.00 C ATOM 471 O LYS A 30 -33.318 -10.815 -14.011 1.00 0.00 O ATOM 472 CB LYS A 30 -30.613 -11.372 -14.819 1.00 0.00 C ATOM 473 CG LYS A 30 -30.044 -10.819 -13.501 1.00 0.00 C ATOM 474 CD LYS A 30 -28.514 -10.830 -13.547 1.00 0.00 C ATOM 475 CE LYS A 30 -28.009 -12.272 -13.445 1.00 0.00 C ATOM 476 NZ LYS A 30 -26.631 -12.158 -12.894 1.00 0.00 N ATOM 0 H LYS A 30 -30.310 -8.662 -14.871 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.932 -10.689 -16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.189 -12.276 -14.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.798 -11.652 -15.486 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.404 -9.803 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.395 -11.421 -12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.164 -10.376 -14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.111 -10.234 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.647 -12.869 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.005 -12.759 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.217 -13.107 -12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.045 -11.590 -13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.667 -11.697 -11.963 1.00 0.00 H new ATOM 490 N HIS A 31 -32.994 -8.683 -14.471 1.00 0.00 N ATOM 491 CA HIS A 31 -34.137 -8.263 -13.605 1.00 0.00 C ATOM 492 C HIS A 31 -34.851 -7.047 -14.221 1.00 0.00 C ATOM 493 O HIS A 31 -34.872 -5.983 -13.634 1.00 0.00 O ATOM 494 CB HIS A 31 -33.503 -7.897 -12.259 1.00 0.00 C ATOM 495 CG HIS A 31 -32.854 -9.117 -11.663 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.581 -9.348 -11.204 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.541 -10.308 -11.489 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.476 -10.660 -10.753 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.684 -11.194 -10.948 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.501 -7.921 -14.936 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.886 -9.047 -13.499 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.763 -7.108 -12.396 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.262 -7.508 -11.581 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.575 -10.492 -11.741 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.605 -11.143 -10.335 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.928 -12.157 -10.715 1.00 0.00 H new ATOM 507 N PRO A 32 -35.421 -7.237 -15.394 1.00 0.00 N ATOM 508 CA PRO A 32 -36.134 -6.124 -16.069 1.00 0.00 C ATOM 509 C PRO A 32 -37.464 -5.837 -15.365 1.00 0.00 C ATOM 510 O PRO A 32 -37.843 -4.696 -15.179 1.00 0.00 O ATOM 511 CB PRO A 32 -36.372 -6.649 -17.482 1.00 0.00 C ATOM 512 CG PRO A 32 -36.363 -8.139 -17.349 1.00 0.00 C ATOM 513 CD PRO A 32 -35.458 -8.475 -16.193 1.00 0.00 C ATOM 0 HA PRO A 32 -35.573 -5.189 -16.057 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.323 -6.294 -17.880 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.594 -6.309 -18.165 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.370 -8.516 -17.172 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.005 -8.605 -18.267 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.846 -9.312 -15.613 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.463 -8.759 -16.535 1.00 0.00 H new ATOM 521 N ASP A 33 -38.171 -6.867 -14.975 1.00 0.00 N ATOM 522 CA ASP A 33 -39.479 -6.666 -14.281 1.00 0.00 C ATOM 523 C ASP A 33 -39.292 -6.747 -12.763 1.00 0.00 C ATOM 524 O ASP A 33 -39.936 -7.529 -12.089 1.00 0.00 O ATOM 525 CB ASP A 33 -40.367 -7.809 -14.777 1.00 0.00 C ATOM 526 CG ASP A 33 -41.834 -7.477 -14.491 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.423 -6.758 -15.281 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.342 -7.947 -13.487 1.00 0.00 O ATOM 0 H ASP A 33 -37.898 -7.841 -15.108 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.915 -5.690 -14.493 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.219 -7.961 -15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.090 -8.740 -14.282 1.00 0.00 H new ATOM 533 N SER A 34 -38.413 -5.940 -12.224 1.00 0.00 N ATOM 534 CA SER A 34 -38.174 -5.960 -10.749 1.00 0.00 C ATOM 535 C SER A 34 -37.698 -4.584 -10.273 1.00 0.00 C ATOM 536 O SER A 34 -37.920 -3.583 -10.925 1.00 0.00 O ATOM 537 CB SER A 34 -37.084 -7.010 -10.540 1.00 0.00 C ATOM 538 OG SER A 34 -37.479 -8.227 -11.160 1.00 0.00 O ATOM 0 H SER A 34 -37.850 -5.267 -12.743 1.00 0.00 H new ATOM 0 HA SER A 34 -39.077 -6.194 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.142 -6.662 -10.963 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.916 -7.169 -9.475 1.00 0.00 H new ATOM 0 HG SER A 34 -36.781 -8.902 -11.029 1.00 0.00 H new ATOM 544 N SER A 35 -37.044 -4.533 -9.140 1.00 0.00 N ATOM 545 CA SER A 35 -36.548 -3.230 -8.613 1.00 0.00 C ATOM 546 C SER A 35 -35.299 -3.449 -7.753 1.00 0.00 C ATOM 547 O SER A 35 -35.039 -4.543 -7.291 1.00 0.00 O ATOM 548 CB SER A 35 -37.695 -2.682 -7.764 1.00 0.00 C ATOM 549 OG SER A 35 -37.383 -1.359 -7.352 1.00 0.00 O ATOM 0 H SER A 35 -36.833 -5.343 -8.557 1.00 0.00 H new ATOM 0 HA SER A 35 -36.268 -2.542 -9.410 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.622 -2.688 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.855 -3.318 -6.893 1.00 0.00 H new ATOM 0 HG SER A 35 -38.117 -1.004 -6.809 1.00 0.00 H new ATOM 555 N VAL A 36 -34.527 -2.414 -7.541 1.00 0.00 N ATOM 556 CA VAL A 36 -33.291 -2.551 -6.712 1.00 0.00 C ATOM 557 C VAL A 36 -32.894 -1.193 -6.122 1.00 0.00 C ATOM 558 O VAL A 36 -31.897 -0.610 -6.505 1.00 0.00 O ATOM 559 CB VAL A 36 -32.219 -3.070 -7.681 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.010 -2.070 -8.824 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.899 -3.263 -6.929 1.00 0.00 C ATOM 0 H VAL A 36 -34.700 -1.478 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.428 -3.226 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.550 -4.022 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.248 -2.449 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.946 -1.936 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.688 -1.112 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.139 -3.631 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.577 -2.310 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.041 -3.985 -6.125 1.00 0.00 H new ATOM 571 N ASN A 37 -33.664 -0.693 -5.186 1.00 0.00 N ATOM 572 CA ASN A 37 -33.331 0.626 -4.558 1.00 0.00 C ATOM 573 C ASN A 37 -31.943 0.557 -3.916 1.00 0.00 C ATOM 574 O ASN A 37 -31.340 -0.498 -3.851 1.00 0.00 O ATOM 575 CB ASN A 37 -34.405 0.851 -3.492 1.00 0.00 C ATOM 576 CG ASN A 37 -35.553 1.669 -4.085 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.851 1.557 -5.258 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.214 2.494 -3.321 1.00 0.00 N ATOM 0 H ASN A 37 -34.508 -1.140 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.313 1.438 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.777 -0.107 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.978 1.373 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.980 3.045 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.964 2.589 -2.337 1.00 0.00 H new ATOM 585 N PHE A 38 -31.429 1.667 -3.448 1.00 0.00 N ATOM 586 CA PHE A 38 -30.075 1.647 -2.818 1.00 0.00 C ATOM 587 C PHE A 38 -30.082 0.763 -1.576 1.00 0.00 C ATOM 588 O PHE A 38 -29.411 -0.237 -1.532 1.00 0.00 O ATOM 589 CB PHE A 38 -29.763 3.092 -2.436 1.00 0.00 C ATOM 590 CG PHE A 38 -29.607 3.918 -3.688 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.442 3.803 -4.456 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.623 4.795 -4.085 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.292 4.563 -5.620 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.473 5.557 -5.250 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.306 5.440 -6.018 1.00 0.00 C ATOM 0 H PHE A 38 -31.885 2.579 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.326 1.244 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.564 3.497 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.849 3.134 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.658 3.126 -4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.522 4.884 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.393 4.473 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.256 6.235 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.190 6.027 -6.917 1.00 0.00 H new ATOM 605 N ALA A 39 -30.824 1.134 -0.563 1.00 0.00 N ATOM 606 CA ALA A 39 -30.856 0.318 0.696 1.00 0.00 C ATOM 607 C ALA A 39 -31.199 -1.146 0.418 1.00 0.00 C ATOM 608 O ALA A 39 -30.518 -2.040 0.886 1.00 0.00 O ATOM 609 CB ALA A 39 -31.930 0.965 1.572 1.00 0.00 C ATOM 0 H ALA A 39 -31.411 1.968 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.879 0.308 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.010 0.420 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.658 2.001 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.888 0.936 1.054 1.00 0.00 H new ATOM 615 N GLU A 40 -32.237 -1.408 -0.336 1.00 0.00 N ATOM 616 CA GLU A 40 -32.603 -2.831 -0.635 1.00 0.00 C ATOM 617 C GLU A 40 -31.399 -3.577 -1.225 1.00 0.00 C ATOM 618 O GLU A 40 -31.304 -4.787 -1.135 1.00 0.00 O ATOM 619 CB GLU A 40 -33.742 -2.753 -1.653 1.00 0.00 C ATOM 620 CG GLU A 40 -35.033 -2.336 -0.945 1.00 0.00 C ATOM 621 CD GLU A 40 -35.534 -3.490 -0.075 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.973 -4.480 -0.635 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.469 -3.364 1.136 1.00 0.00 O ATOM 0 H GLU A 40 -32.845 -0.705 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.903 -3.373 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.496 -2.035 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.877 -3.720 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.854 -1.454 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.791 -2.064 -1.679 1.00 0.00 H new ATOM 630 N PHE A 41 -30.473 -2.858 -1.812 1.00 0.00 N ATOM 631 CA PHE A 41 -29.269 -3.513 -2.391 1.00 0.00 C ATOM 632 C PHE A 41 -28.048 -3.257 -1.500 1.00 0.00 C ATOM 633 O PHE A 41 -27.120 -4.044 -1.461 1.00 0.00 O ATOM 634 CB PHE A 41 -29.090 -2.871 -3.769 1.00 0.00 C ATOM 635 CG PHE A 41 -28.281 -3.786 -4.653 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.825 -5.002 -5.086 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.986 -3.421 -5.041 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.075 -5.851 -5.908 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.237 -4.271 -5.864 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.782 -5.486 -6.296 1.00 0.00 C ATOM 0 H PHE A 41 -30.504 -1.843 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.379 -4.595 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.063 -2.679 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.589 -1.908 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.823 -5.284 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.565 -2.485 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.495 -6.788 -6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.239 -3.989 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.203 -6.142 -6.929 1.00 0.00 H new ATOM 650 N SER A 42 -28.056 -2.170 -0.776 1.00 0.00 N ATOM 651 CA SER A 42 -26.916 -1.848 0.131 1.00 0.00 C ATOM 652 C SER A 42 -26.821 -2.914 1.230 1.00 0.00 C ATOM 653 O SER A 42 -25.766 -3.168 1.777 1.00 0.00 O ATOM 654 CB SER A 42 -27.252 -0.469 0.709 1.00 0.00 C ATOM 655 OG SER A 42 -28.038 -0.609 1.888 1.00 0.00 O ATOM 0 H SER A 42 -28.811 -1.485 -0.774 1.00 0.00 H new ATOM 0 HA SER A 42 -25.952 -1.837 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.333 0.071 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.794 0.121 -0.030 1.00 0.00 H new ATOM 0 HG SER A 42 -28.112 0.259 2.337 1.00 0.00 H new ATOM 661 N LYS A 43 -27.931 -3.537 1.548 1.00 0.00 N ATOM 662 CA LYS A 43 -27.938 -4.591 2.602 1.00 0.00 C ATOM 663 C LYS A 43 -27.539 -5.946 2.004 1.00 0.00 C ATOM 664 O LYS A 43 -27.048 -6.817 2.698 1.00 0.00 O ATOM 665 CB LYS A 43 -29.387 -4.633 3.096 1.00 0.00 C ATOM 666 CG LYS A 43 -29.511 -3.836 4.397 1.00 0.00 C ATOM 667 CD LYS A 43 -30.938 -3.956 4.936 1.00 0.00 C ATOM 668 CE LYS A 43 -31.123 -5.328 5.590 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.579 -5.416 5.890 1.00 0.00 N ATOM 0 H LYS A 43 -28.837 -3.356 1.117 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.232 -4.380 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.052 -4.218 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.696 -5.665 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.800 -4.210 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.265 -2.789 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.132 -3.166 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.656 -3.828 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.808 -6.130 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.526 -5.417 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.786 -6.330 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.848 -4.644 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.121 -5.335 5.006 1.00 0.00 H new ATOM 683 N LYS A 44 -27.755 -6.130 0.725 1.00 0.00 N ATOM 684 CA LYS A 44 -27.400 -7.429 0.078 1.00 0.00 C ATOM 685 C LYS A 44 -25.924 -7.445 -0.334 1.00 0.00 C ATOM 686 O LYS A 44 -25.239 -8.437 -0.164 1.00 0.00 O ATOM 687 CB LYS A 44 -28.299 -7.514 -1.156 1.00 0.00 C ATOM 688 CG LYS A 44 -28.452 -8.977 -1.578 1.00 0.00 C ATOM 689 CD LYS A 44 -27.269 -9.379 -2.461 1.00 0.00 C ATOM 690 CE LYS A 44 -27.658 -10.584 -3.321 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.487 -10.814 -4.212 1.00 0.00 N ATOM 0 H LYS A 44 -28.163 -5.434 0.100 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.544 -8.273 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.276 -7.084 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.870 -6.932 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.497 -9.618 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.388 -9.114 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.977 -8.544 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.406 -9.625 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.863 -11.459 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.560 -10.382 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.678 -11.626 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.320 -9.967 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.645 -11.010 -3.635 1.00 0.00 H new ATOM 705 N CYS A 45 -25.432 -6.360 -0.878 1.00 0.00 N ATOM 706 CA CYS A 45 -23.997 -6.316 -1.307 1.00 0.00 C ATOM 707 C CYS A 45 -23.072 -6.586 -0.113 1.00 0.00 C ATOM 708 O CYS A 45 -22.000 -7.143 -0.261 1.00 0.00 O ATOM 709 CB CYS A 45 -23.775 -4.901 -1.864 1.00 0.00 C ATOM 710 SG CYS A 45 -24.110 -3.660 -0.584 1.00 0.00 S ATOM 0 H CYS A 45 -25.960 -5.503 -1.044 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.773 -7.077 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.749 -4.799 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.427 -4.734 -2.721 1.00 0.00 H new ATOM 0 HG CYS A 45 -24.935 -4.152 0.292 1.00 0.00 H new ATOM 716 N SER A 46 -23.485 -6.196 1.066 1.00 0.00 N ATOM 717 CA SER A 46 -22.639 -6.428 2.277 1.00 0.00 C ATOM 718 C SER A 46 -22.546 -7.926 2.575 1.00 0.00 C ATOM 719 O SER A 46 -21.532 -8.413 3.038 1.00 0.00 O ATOM 720 CB SER A 46 -23.352 -5.697 3.415 1.00 0.00 C ATOM 721 OG SER A 46 -24.639 -6.271 3.608 1.00 0.00 O ATOM 0 H SER A 46 -24.373 -5.726 1.243 1.00 0.00 H new ATOM 0 HA SER A 46 -21.620 -6.065 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.767 -5.770 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.445 -4.637 3.180 1.00 0.00 H new ATOM 0 HG SER A 46 -25.205 -6.072 2.833 1.00 0.00 H new ATOM 727 N GLU A 47 -23.599 -8.657 2.311 1.00 0.00 N ATOM 728 CA GLU A 47 -23.580 -10.129 2.575 1.00 0.00 C ATOM 729 C GLU A 47 -22.583 -10.818 1.639 1.00 0.00 C ATOM 730 O GLU A 47 -22.014 -11.840 1.970 1.00 0.00 O ATOM 731 CB GLU A 47 -25.004 -10.610 2.287 1.00 0.00 C ATOM 732 CG GLU A 47 -25.973 -9.952 3.270 1.00 0.00 C ATOM 733 CD GLU A 47 -27.230 -10.816 3.403 1.00 0.00 C ATOM 734 OE1 GLU A 47 -28.008 -10.842 2.464 1.00 0.00 O ATOM 735 OE2 GLU A 47 -27.391 -11.436 4.442 1.00 0.00 O ATOM 0 H GLU A 47 -24.472 -8.299 1.924 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.275 -10.359 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.283 -10.361 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.058 -11.695 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.496 -9.833 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.240 -8.954 2.922 1.00 0.00 H new ATOM 742 N ARG A 48 -22.370 -10.261 0.473 1.00 0.00 N ATOM 743 CA ARG A 48 -21.411 -10.875 -0.492 1.00 0.00 C ATOM 744 C ARG A 48 -20.027 -10.235 -0.344 1.00 0.00 C ATOM 745 O ARG A 48 -19.018 -10.913 -0.365 1.00 0.00 O ATOM 746 CB ARG A 48 -21.995 -10.578 -1.874 1.00 0.00 C ATOM 747 CG ARG A 48 -21.395 -11.542 -2.900 1.00 0.00 C ATOM 748 CD ARG A 48 -22.249 -11.533 -4.169 1.00 0.00 C ATOM 749 NE ARG A 48 -21.805 -12.729 -4.939 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.706 -12.668 -6.239 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.688 -12.063 -6.787 1.00 0.00 N ATOM 752 NH2 ARG A 48 -22.623 -13.212 -6.990 1.00 0.00 N ATOM 0 H ARG A 48 -22.821 -9.405 0.148 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.285 -11.945 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -23.080 -10.682 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.780 -9.548 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.372 -11.249 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.351 -12.549 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -23.311 -11.589 -3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.098 -10.617 -4.740 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.578 -13.595 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.970 -11.638 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.610 -12.015 -7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.418 -13.686 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.545 -13.164 -8.006 1.00 0.00 H new ATOM 766 N TRP A 49 -19.978 -8.935 -0.194 1.00 0.00 N ATOM 767 CA TRP A 49 -18.658 -8.244 -0.044 1.00 0.00 C ATOM 768 C TRP A 49 -17.928 -8.760 1.199 1.00 0.00 C ATOM 769 O TRP A 49 -16.712 -8.785 1.248 1.00 0.00 O ATOM 770 CB TRP A 49 -18.992 -6.758 0.115 1.00 0.00 C ATOM 771 CG TRP A 49 -17.725 -5.965 0.109 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.204 -5.326 1.181 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.813 -5.718 -0.999 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.029 -4.701 0.800 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.747 -4.914 -0.535 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.808 -6.110 -2.350 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.711 -4.512 -1.380 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.768 -5.708 -3.204 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.722 -4.910 -2.720 1.00 0.00 C ATOM 0 H TRP A 49 -20.793 -8.322 -0.169 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.006 -8.424 -0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.643 -6.431 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.534 -6.593 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.634 -5.307 2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.443 -4.151 1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.609 -6.724 -2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.907 -3.898 -1.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.774 -6.015 -4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.926 -4.603 -3.382 1.00 0.00 H new ATOM 790 N LYS A 50 -18.662 -9.172 2.201 1.00 0.00 N ATOM 791 CA LYS A 50 -18.020 -9.690 3.446 1.00 0.00 C ATOM 792 C LYS A 50 -17.592 -11.149 3.258 1.00 0.00 C ATOM 793 O LYS A 50 -16.658 -11.615 3.881 1.00 0.00 O ATOM 794 CB LYS A 50 -19.098 -9.582 4.524 1.00 0.00 C ATOM 795 CG LYS A 50 -19.148 -8.147 5.052 1.00 0.00 C ATOM 796 CD LYS A 50 -18.121 -7.981 6.175 1.00 0.00 C ATOM 797 CE LYS A 50 -18.204 -6.559 6.736 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.558 -6.637 8.077 1.00 0.00 N ATOM 0 H LYS A 50 -19.682 -9.172 2.210 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.123 -9.129 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.068 -9.864 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.883 -10.274 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.938 -7.444 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.148 -7.919 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.310 -8.707 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.118 -8.176 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.688 -5.849 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.239 -6.225 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.576 -5.699 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.074 -7.316 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.572 -6.951 7.970 1.00 0.00 H new ATOM 812 N THR A 51 -18.272 -11.870 2.402 1.00 0.00 N ATOM 813 CA THR A 51 -17.913 -13.300 2.166 1.00 0.00 C ATOM 814 C THR A 51 -16.787 -13.406 1.133 1.00 0.00 C ATOM 815 O THR A 51 -16.026 -14.355 1.128 1.00 0.00 O ATOM 816 CB THR A 51 -19.191 -13.947 1.633 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.700 -13.168 0.559 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.233 -14.022 2.751 1.00 0.00 C ATOM 0 H THR A 51 -19.062 -11.528 1.855 1.00 0.00 H new ATOM 0 HA THR A 51 -17.555 -13.788 3.073 1.00 0.00 H new ATOM 0 HB THR A 51 -18.969 -14.954 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.056 -12.466 0.330 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.144 -14.484 2.369 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.841 -14.619 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.458 -13.017 3.107 1.00 0.00 H new ATOM 826 N MET A 52 -16.676 -12.437 0.256 1.00 0.00 N ATOM 827 CA MET A 52 -15.598 -12.477 -0.782 1.00 0.00 C ATOM 828 C MET A 52 -14.219 -12.524 -0.117 1.00 0.00 C ATOM 829 O MET A 52 -14.038 -12.047 0.988 1.00 0.00 O ATOM 830 CB MET A 52 -15.760 -11.180 -1.582 1.00 0.00 C ATOM 831 CG MET A 52 -17.067 -11.229 -2.380 1.00 0.00 C ATOM 832 SD MET A 52 -16.734 -11.769 -4.076 1.00 0.00 S ATOM 833 CE MET A 52 -16.432 -10.129 -4.781 1.00 0.00 C ATOM 0 H MET A 52 -17.285 -11.620 0.214 1.00 0.00 H new ATOM 0 HA MET A 52 -15.676 -13.360 -1.417 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.765 -10.323 -0.908 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.914 -11.049 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.769 -11.913 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.536 -10.245 -2.388 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.467 -10.189 -5.869 1.00 0.00 H new ATOM 0 HE2 MET A 52 -17.197 -9.436 -4.431 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.450 -9.774 -4.468 1.00 0.00 H new ATOM 843 N SER A 53 -13.250 -13.100 -0.782 1.00 0.00 N ATOM 844 CA SER A 53 -11.879 -13.186 -0.194 1.00 0.00 C ATOM 845 C SER A 53 -10.933 -12.218 -0.909 1.00 0.00 C ATOM 846 O SER A 53 -11.346 -11.434 -1.743 1.00 0.00 O ATOM 847 CB SER A 53 -11.441 -14.631 -0.424 1.00 0.00 C ATOM 848 OG SER A 53 -10.270 -14.894 0.337 1.00 0.00 O ATOM 0 H SER A 53 -13.349 -13.515 -1.708 1.00 0.00 H new ATOM 0 HA SER A 53 -11.866 -12.918 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.238 -15.315 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.246 -14.800 -1.483 1.00 0.00 H new ATOM 0 HG SER A 53 -9.988 -15.821 0.193 1.00 0.00 H new ATOM 854 N ALA A 54 -9.666 -12.271 -0.586 1.00 0.00 N ATOM 855 CA ALA A 54 -8.679 -11.356 -1.241 1.00 0.00 C ATOM 856 C ALA A 54 -8.590 -11.642 -2.746 1.00 0.00 C ATOM 857 O ALA A 54 -8.154 -10.806 -3.514 1.00 0.00 O ATOM 858 CB ALA A 54 -7.340 -11.654 -0.562 1.00 0.00 C ATOM 0 H ALA A 54 -9.270 -12.909 0.104 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.967 -10.310 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.565 -11.019 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.422 -11.455 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.078 -12.701 -0.717 1.00 0.00 H new ATOM 864 N LYS A 55 -8.997 -12.814 -3.172 1.00 0.00 N ATOM 865 CA LYS A 55 -8.934 -13.148 -4.628 1.00 0.00 C ATOM 866 C LYS A 55 -10.016 -12.381 -5.392 1.00 0.00 C ATOM 867 O LYS A 55 -9.869 -12.086 -6.563 1.00 0.00 O ATOM 868 CB LYS A 55 -9.190 -14.655 -4.707 1.00 0.00 C ATOM 869 CG LYS A 55 -7.958 -15.410 -4.205 1.00 0.00 C ATOM 870 CD LYS A 55 -8.274 -16.905 -4.124 1.00 0.00 C ATOM 871 CE LYS A 55 -8.365 -17.485 -5.537 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.817 -18.891 -5.346 1.00 0.00 N ATOM 0 H LYS A 55 -9.369 -13.552 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.976 -12.876 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.061 -14.918 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.412 -14.943 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.116 -15.241 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.664 -15.036 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.499 -17.421 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.214 -17.061 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.070 -16.923 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.400 -17.445 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.903 -19.357 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.123 -19.403 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.741 -18.897 -4.868 1.00 0.00 H new ATOM 886 N GLU A 56 -11.100 -12.060 -4.735 1.00 0.00 N ATOM 887 CA GLU A 56 -12.201 -11.314 -5.412 1.00 0.00 C ATOM 888 C GLU A 56 -12.222 -9.853 -4.950 1.00 0.00 C ATOM 889 O GLU A 56 -12.691 -8.980 -5.655 1.00 0.00 O ATOM 890 CB GLU A 56 -13.481 -12.031 -4.981 1.00 0.00 C ATOM 891 CG GLU A 56 -13.595 -13.361 -5.726 1.00 0.00 C ATOM 892 CD GLU A 56 -14.912 -14.045 -5.353 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.971 -14.628 -4.283 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.838 -13.974 -6.144 1.00 0.00 O ATOM 0 H GLU A 56 -11.270 -12.284 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.083 -11.298 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.469 -12.204 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.349 -11.407 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.553 -13.192 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.754 -14.006 -5.472 1.00 0.00 H new ATOM 901 N LYS A 57 -11.719 -9.582 -3.771 1.00 0.00 N ATOM 902 CA LYS A 57 -11.708 -8.180 -3.257 1.00 0.00 C ATOM 903 C LYS A 57 -10.359 -7.513 -3.547 1.00 0.00 C ATOM 904 O LYS A 57 -9.935 -6.622 -2.836 1.00 0.00 O ATOM 905 CB LYS A 57 -11.925 -8.312 -1.749 1.00 0.00 C ATOM 906 CG LYS A 57 -13.424 -8.366 -1.450 1.00 0.00 C ATOM 907 CD LYS A 57 -13.638 -8.683 0.032 1.00 0.00 C ATOM 908 CE LYS A 57 -13.549 -7.392 0.849 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.773 -7.814 2.259 1.00 0.00 N ATOM 0 H LYS A 57 -11.314 -10.275 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.472 -7.563 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.437 -9.214 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.471 -7.468 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.890 -7.413 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.902 -9.126 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.611 -9.151 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.887 -9.395 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.576 -6.915 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.300 -6.669 0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.693 -6.988 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.723 -8.228 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.060 -8.522 2.527 1.00 0.00 H new ATOM 923 N SER A 58 -9.684 -7.939 -4.585 1.00 0.00 N ATOM 924 CA SER A 58 -8.360 -7.333 -4.925 1.00 0.00 C ATOM 925 C SER A 58 -8.493 -6.407 -6.137 1.00 0.00 C ATOM 926 O SER A 58 -7.806 -5.408 -6.242 1.00 0.00 O ATOM 927 CB SER A 58 -7.454 -8.520 -5.254 1.00 0.00 C ATOM 928 OG SER A 58 -8.172 -9.454 -6.048 1.00 0.00 O ATOM 0 H SER A 58 -9.993 -8.681 -5.213 1.00 0.00 H new ATOM 0 HA SER A 58 -7.962 -6.729 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.567 -8.178 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.110 -8.995 -4.335 1.00 0.00 H new ATOM 0 HG SER A 58 -8.419 -10.228 -5.500 1.00 0.00 H new ATOM 934 N LYS A 59 -9.370 -6.735 -7.052 1.00 0.00 N ATOM 935 CA LYS A 59 -9.551 -5.877 -8.264 1.00 0.00 C ATOM 936 C LYS A 59 -10.234 -4.560 -7.887 1.00 0.00 C ATOM 937 O LYS A 59 -10.011 -3.537 -8.508 1.00 0.00 O ATOM 938 CB LYS A 59 -10.441 -6.691 -9.205 1.00 0.00 C ATOM 939 CG LYS A 59 -10.581 -5.956 -10.540 1.00 0.00 C ATOM 940 CD LYS A 59 -11.340 -6.838 -11.533 1.00 0.00 C ATOM 941 CE LYS A 59 -12.846 -6.661 -11.327 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.479 -7.545 -12.344 1.00 0.00 N ATOM 0 H LYS A 59 -9.969 -7.560 -7.013 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.599 -5.619 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.010 -7.679 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.423 -6.840 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.111 -5.015 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.596 -5.709 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.068 -6.571 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.063 -7.883 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.143 -6.945 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.144 -5.622 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.514 -7.478 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.184 -7.246 -13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.182 -8.528 -12.182 1.00 0.00 H new ATOM 956 N PHE A 60 -11.062 -4.580 -6.874 1.00 0.00 N ATOM 957 CA PHE A 60 -11.764 -3.330 -6.451 1.00 0.00 C ATOM 958 C PHE A 60 -10.804 -2.420 -5.680 1.00 0.00 C ATOM 959 O PHE A 60 -10.893 -1.208 -5.751 1.00 0.00 O ATOM 960 CB PHE A 60 -12.904 -3.798 -5.544 1.00 0.00 C ATOM 961 CG PHE A 60 -13.945 -4.514 -6.372 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.889 -3.777 -7.098 1.00 0.00 C ATOM 963 CD2 PHE A 60 -13.965 -5.912 -6.413 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.854 -4.442 -7.865 1.00 0.00 C ATOM 965 CE2 PHE A 60 -14.929 -6.577 -7.181 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.874 -5.840 -7.907 1.00 0.00 C ATOM 0 H PHE A 60 -11.283 -5.408 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.132 -2.757 -7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.518 -4.463 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.352 -2.944 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.873 -2.698 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.237 -6.479 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.583 -3.875 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.944 -7.656 -7.214 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.618 -6.352 -8.499 1.00 0.00 H new ATOM 976 N GLU A 61 -9.887 -2.998 -4.946 1.00 0.00 N ATOM 977 CA GLU A 61 -8.913 -2.172 -4.167 1.00 0.00 C ATOM 978 C GLU A 61 -8.025 -1.366 -5.117 1.00 0.00 C ATOM 979 O GLU A 61 -7.577 -0.282 -4.792 1.00 0.00 O ATOM 980 CB GLU A 61 -8.075 -3.176 -3.373 1.00 0.00 C ATOM 981 CG GLU A 61 -7.336 -2.450 -2.249 1.00 0.00 C ATOM 982 CD GLU A 61 -6.120 -3.275 -1.821 1.00 0.00 C ATOM 983 OE1 GLU A 61 -5.081 -3.128 -2.442 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.249 -4.040 -0.879 1.00 0.00 O ATOM 0 H GLU A 61 -9.770 -4.007 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.413 -1.457 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.717 -3.953 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.361 -3.671 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.019 -1.463 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.003 -2.298 -1.400 1.00 0.00 H new ATOM 991 N ASP A 62 -7.771 -1.889 -6.290 1.00 0.00 N ATOM 992 CA ASP A 62 -6.911 -1.159 -7.272 1.00 0.00 C ATOM 993 C ASP A 62 -7.665 0.046 -7.841 1.00 0.00 C ATOM 994 O ASP A 62 -7.070 1.037 -8.221 1.00 0.00 O ATOM 995 CB ASP A 62 -6.611 -2.174 -8.378 1.00 0.00 C ATOM 996 CG ASP A 62 -5.386 -1.717 -9.171 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.330 -1.591 -8.575 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.525 -1.501 -10.364 1.00 0.00 O ATOM 0 H ASP A 62 -8.122 -2.791 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.998 -0.778 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.431 -3.158 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.471 -2.271 -9.041 1.00 0.00 H new ATOM 1003 N MET A 63 -8.970 -0.035 -7.902 1.00 0.00 N ATOM 1004 CA MET A 63 -9.771 1.103 -8.446 1.00 0.00 C ATOM 1005 C MET A 63 -9.960 2.178 -7.371 1.00 0.00 C ATOM 1006 O MET A 63 -10.015 3.356 -7.666 1.00 0.00 O ATOM 1007 CB MET A 63 -11.118 0.491 -8.834 1.00 0.00 C ATOM 1008 CG MET A 63 -10.935 -0.416 -10.052 1.00 0.00 C ATOM 1009 SD MET A 63 -10.765 0.600 -11.541 1.00 0.00 S ATOM 1010 CE MET A 63 -11.154 -0.695 -12.744 1.00 0.00 C ATOM 0 H MET A 63 -9.516 -0.841 -7.598 1.00 0.00 H new ATOM 0 HA MET A 63 -9.282 1.583 -9.294 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.523 -0.081 -7.999 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.836 1.279 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.052 -1.042 -9.923 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.789 -1.086 -10.151 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.107 -0.282 -13.751 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.433 -1.507 -12.651 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.157 -1.078 -12.555 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.057 1.775 -6.130 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.241 2.769 -5.028 1.00 0.00 C ATOM 1022 C ALA A 64 -8.952 3.570 -4.819 1.00 0.00 C ATOM 1023 O ALA A 64 -8.985 4.763 -4.582 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.562 1.938 -3.784 1.00 0.00 C ATOM 0 H ALA A 64 -10.017 0.801 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.031 3.486 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.710 2.601 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.470 1.360 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.735 1.260 -3.576 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.820 2.918 -4.905 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.521 3.635 -4.713 1.00 0.00 C ATOM 1032 C LYS A 65 -6.334 4.698 -5.800 1.00 0.00 C ATOM 1033 O LYS A 65 -5.655 5.688 -5.599 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.443 2.555 -4.831 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.094 3.131 -4.398 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.988 3.092 -2.872 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.516 3.157 -2.459 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.466 2.522 -1.113 1.00 0.00 N ATOM 0 H LYS A 65 -7.738 1.920 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.477 4.150 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.702 1.699 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.384 2.196 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.282 2.557 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.993 4.156 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.535 3.928 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.444 2.179 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.883 2.626 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.161 4.187 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.487 2.529 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.073 3.053 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.803 1.540 -1.180 1.00 0.00 H new ATOM 1052 N SER A 66 -6.932 4.500 -6.949 1.00 0.00 N ATOM 1053 CA SER A 66 -6.791 5.500 -8.056 1.00 0.00 C ATOM 1054 C SER A 66 -7.323 6.865 -7.610 1.00 0.00 C ATOM 1055 O SER A 66 -6.681 7.881 -7.801 1.00 0.00 O ATOM 1056 CB SER A 66 -7.635 4.949 -9.206 1.00 0.00 C ATOM 1057 OG SER A 66 -7.394 5.721 -10.376 1.00 0.00 O ATOM 0 H SER A 66 -7.512 3.690 -7.169 1.00 0.00 H new ATOM 0 HA SER A 66 -5.750 5.643 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.385 3.904 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.693 4.983 -8.945 1.00 0.00 H new ATOM 0 HG SER A 66 -7.932 5.370 -11.116 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.488 6.893 -7.016 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.069 8.188 -6.551 1.00 0.00 C ATOM 1065 C ASP A 67 -8.483 8.571 -5.189 1.00 0.00 C ATOM 1066 O ASP A 67 -8.184 9.722 -4.935 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.572 7.931 -6.436 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.329 9.253 -6.576 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.889 10.229 -5.989 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -12.334 9.268 -7.268 1.00 0.00 O ATOM 0 H ASP A 67 -9.064 6.072 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.848 9.008 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.892 7.233 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.800 7.469 -5.475 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.320 7.610 -4.316 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.752 7.907 -2.964 1.00 0.00 C ATOM 1077 C LYS A 68 -6.322 8.442 -3.094 1.00 0.00 C ATOM 1078 O LYS A 68 -5.856 9.195 -2.261 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.757 6.569 -2.221 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.276 6.779 -0.785 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.866 5.693 0.117 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.421 5.928 1.561 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.025 5.411 1.622 1.00 0.00 N ATOM 0 H LYS A 68 -8.556 6.631 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.329 8.666 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.761 6.145 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.110 5.855 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.187 6.746 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.578 7.764 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.954 5.706 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.539 4.709 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.462 6.986 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.068 5.403 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.982 4.603 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.726 5.106 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.391 6.163 1.960 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.627 8.053 -4.135 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.225 8.534 -4.327 1.00 0.00 C ATOM 1099 C ALA A 69 -4.223 9.924 -4.967 1.00 0.00 C ATOM 1100 O ALA A 69 -3.336 10.724 -4.730 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.580 7.512 -5.263 1.00 0.00 C ATOM 0 H ALA A 69 -5.971 7.423 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.686 8.620 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.545 7.796 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.607 6.526 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.128 7.485 -6.205 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.210 10.216 -5.776 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.273 11.554 -6.436 1.00 0.00 C ATOM 1109 C ARG A 70 -5.946 12.572 -5.512 1.00 0.00 C ATOM 1110 O ARG A 70 -5.668 13.755 -5.572 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.114 11.334 -7.695 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.048 12.582 -8.578 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.195 12.177 -10.047 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.802 11.974 -10.530 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.531 10.995 -11.349 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.968 9.792 -11.094 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.824 11.218 -12.423 1.00 0.00 N ATOM 0 H ARG A 70 -5.976 9.584 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.283 11.946 -6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.746 10.467 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.148 11.123 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.839 13.279 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.100 13.099 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.785 11.266 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.703 12.952 -10.621 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.059 12.600 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.521 9.618 -10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.757 9.026 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.483 12.158 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.613 10.452 -13.063 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.827 12.117 -4.657 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.525 13.055 -3.723 1.00 0.00 C ATOM 1133 C TYR A 71 -6.517 13.694 -2.764 1.00 0.00 C ATOM 1134 O TYR A 71 -6.714 14.796 -2.289 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.523 12.188 -2.951 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.432 13.074 -2.133 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.541 13.682 -2.734 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.168 13.287 -0.775 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.384 14.504 -1.977 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.010 14.108 -0.019 1.00 0.00 C ATOM 1141 CZ TYR A 71 -11.119 14.716 -0.619 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.951 15.526 0.128 1.00 0.00 O ATOM 0 H TYR A 71 -7.094 11.137 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.021 13.868 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.111 11.587 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.991 11.495 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.746 13.517 -3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.314 12.817 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.239 14.974 -2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.805 14.273 1.028 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.626 15.566 1.052 1.00 0.00 H new ATOM 1152 N ASP A 72 -5.439 13.008 -2.477 1.00 0.00 N ATOM 1153 CA ASP A 72 -4.413 13.570 -1.547 1.00 0.00 C ATOM 1154 C ASP A 72 -3.616 14.675 -2.245 1.00 0.00 C ATOM 1155 O ASP A 72 -3.220 15.649 -1.631 1.00 0.00 O ATOM 1156 CB ASP A 72 -3.501 12.393 -1.195 1.00 0.00 C ATOM 1157 CG ASP A 72 -4.215 11.471 -0.206 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -4.546 11.935 0.874 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -4.420 10.317 -0.545 1.00 0.00 O ATOM 0 H ASP A 72 -5.225 12.082 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.863 14.013 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.237 11.841 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.570 12.758 -0.761 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.382 14.531 -3.525 1.00 0.00 N ATOM 1165 CA ARG A 73 -2.612 15.569 -4.273 1.00 0.00 C ATOM 1166 C ARG A 73 -3.562 16.438 -5.101 1.00 0.00 C ATOM 1167 O ARG A 73 -3.302 16.731 -6.254 1.00 0.00 O ATOM 1168 CB ARG A 73 -1.670 14.783 -5.186 1.00 0.00 C ATOM 1169 CG ARG A 73 -0.565 14.138 -4.347 1.00 0.00 C ATOM 1170 CD ARG A 73 0.217 13.145 -5.210 1.00 0.00 C ATOM 1171 NE ARG A 73 1.388 12.754 -4.377 1.00 0.00 N ATOM 1172 CZ ARG A 73 1.515 11.521 -3.967 1.00 0.00 C ATOM 1173 NH1 ARG A 73 1.916 10.596 -4.795 1.00 0.00 N ATOM 1174 NH2 ARG A 73 1.241 11.214 -2.729 1.00 0.00 N ATOM 0 H ARG A 73 -3.692 13.737 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.068 16.239 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.226 14.016 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.234 15.446 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.105 14.904 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.998 13.627 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.393 12.279 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.534 13.601 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 73 2.091 13.450 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.130 10.836 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.015 9.633 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.928 11.937 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.340 10.251 -2.408 1.00 0.00 H new ATOM 1188 N GLU A 74 -4.661 16.849 -4.522 1.00 0.00 N ATOM 1189 CA GLU A 74 -5.636 17.699 -5.268 1.00 0.00 C ATOM 1190 C GLU A 74 -5.925 18.984 -4.486 1.00 0.00 C ATOM 1191 O GLU A 74 -6.016 20.057 -5.054 1.00 0.00 O ATOM 1192 CB GLU A 74 -6.899 16.844 -5.380 1.00 0.00 C ATOM 1193 CG GLU A 74 -7.884 17.513 -6.341 1.00 0.00 C ATOM 1194 CD GLU A 74 -9.142 16.652 -6.465 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -9.741 16.363 -5.442 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -9.486 16.297 -7.580 1.00 0.00 O ATOM 0 H GLU A 74 -4.926 16.631 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.259 18.001 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.645 15.846 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.357 16.723 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.145 18.507 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.422 17.643 -7.320 1.00 0.00 H new ATOM 1203 N MET A 75 -6.071 18.881 -3.190 1.00 0.00 N ATOM 1204 CA MET A 75 -6.357 20.091 -2.363 1.00 0.00 C ATOM 1205 C MET A 75 -5.105 20.510 -1.586 1.00 0.00 C ATOM 1206 O MET A 75 -5.184 20.919 -0.444 1.00 0.00 O ATOM 1207 CB MET A 75 -7.466 19.662 -1.403 1.00 0.00 C ATOM 1208 CG MET A 75 -8.784 19.535 -2.169 1.00 0.00 C ATOM 1209 SD MET A 75 -10.154 19.394 -0.994 1.00 0.00 S ATOM 1210 CE MET A 75 -10.753 21.095 -1.140 1.00 0.00 C ATOM 0 H MET A 75 -6.004 18.008 -2.667 1.00 0.00 H new ATOM 0 HA MET A 75 -6.653 20.946 -2.971 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.210 18.710 -0.938 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.569 20.392 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.929 20.404 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.757 18.660 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.520 21.277 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.924 21.787 -0.988 1.00 0.00 H new ATOM 0 HE3 MET A 75 -11.176 21.248 -2.133 1.00 0.00 H new ATOM 1220 N LYS A 76 -3.954 20.410 -2.201 1.00 0.00 N ATOM 1221 CA LYS A 76 -2.691 20.801 -1.505 1.00 0.00 C ATOM 1222 C LYS A 76 -2.060 22.013 -2.195 1.00 0.00 C ATOM 1223 O LYS A 76 -0.855 22.102 -2.330 1.00 0.00 O ATOM 1224 CB LYS A 76 -1.778 19.580 -1.625 1.00 0.00 C ATOM 1225 CG LYS A 76 -2.134 18.566 -0.535 1.00 0.00 C ATOM 1226 CD LYS A 76 -0.862 17.857 -0.060 1.00 0.00 C ATOM 1227 CE LYS A 76 -0.310 16.986 -1.191 1.00 0.00 C ATOM 1228 NZ LYS A 76 0.785 16.195 -0.565 1.00 0.00 N ATOM 0 H LYS A 76 -3.834 20.074 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.862 21.081 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.889 19.125 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.735 19.882 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.616 19.071 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.847 17.837 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.116 18.591 0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.080 17.242 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.082 16.336 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.064 17.596 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.215 15.572 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.508 16.841 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.398 15.619 0.210 1.00 0.00 H new ATOM 1242 N ASN A 77 -2.870 22.945 -2.632 1.00 0.00 N ATOM 1243 CA ASN A 77 -2.328 24.156 -3.316 1.00 0.00 C ATOM 1244 C ASN A 77 -2.373 25.361 -2.372 1.00 0.00 C ATOM 1245 O ASN A 77 -3.282 25.419 -1.560 1.00 0.00 O ATOM 1246 CB ASN A 77 -3.250 24.380 -4.515 1.00 0.00 C ATOM 1247 CG ASN A 77 -2.838 23.447 -5.656 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -1.676 23.362 -5.997 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -3.750 22.741 -6.266 1.00 0.00 N ATOM 1250 OXT ASN A 77 -1.498 26.205 -2.478 1.00 0.00 O ATOM 0 H ASN A 77 -3.886 22.918 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.289 24.029 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.285 24.190 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.194 25.418 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.487 22.118 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.726 22.812 -5.980 1.00 0.00 H new TER 1257 ASN A 77