USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 116:sc= 0.951 USER MOD Set 1.2: A 72 TYR OH : rot 105:sc= -0.503 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 165:sc= 0.937 (180deg=0.416) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.976 K(o=-0.039,f=-1.9!) USER MOD Set 3.1: A 19 THR OG1 : rot 82:sc= -4.51! USER MOD Set 3.2: A 62 THR OG1 : rot -89:sc= 0.5 USER MOD Set 4.1: A 14 THR OG1 : rot 50:sc= 1.21 USER MOD Set 4.2: A 17 THR OG1 : rot 70:sc= 0.851 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 0.0061 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0438 F(o=-0.91,f=-0.044) USER MOD Single : A 16 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -13:sc= 0.632 USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 0.935 (180deg=0.0451) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 0.419 (180deg=-0.0231) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.302 F(o=-0.99,f=-0.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.576 K(o=-0.58,f=-5.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.105 F(o=-0.85,f=-0.11) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.21! C(o=-8.2!,f=-12!) USER MOD Single : A 86 SER OG : rot -121:sc= 0.667 USER MOD Single : A 89 SER OG : rot -119:sc= -2.69! USER MOD Single : A 92 SER OG : rot -170:sc= -1.21 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 71:sc= -2.57! USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.867 -3.405 -4.757 1.00 0.68 N ATOM 27 CA ILE A 2 -17.762 -2.744 -4.076 1.00 0.61 C ATOM 28 C ILE A 2 -16.544 -2.651 -4.991 1.00 0.57 C ATOM 29 O ILE A 2 -16.344 -3.504 -5.855 1.00 0.63 O ATOM 30 CB ILE A 2 -17.393 -3.483 -2.772 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.482 -2.594 -1.893 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.777 -4.850 -3.078 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.056 -3.095 -1.680 1.00 0.56 C ATOM 0 HA ILE A 2 -18.084 -1.735 -3.819 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.299 -3.676 -2.198 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -16.433 -1.602 -2.343 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.954 -2.478 -0.917 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.525 -5.353 -2.144 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.493 -5.455 -3.634 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.874 -4.717 -3.674 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.513 -2.391 -1.049 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.082 -4.071 -1.195 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.553 -3.181 -2.643 1.00 0.56 H new ATOM 45 N ASP A 3 -15.737 -1.611 -4.807 1.00 0.55 N ATOM 46 CA ASP A 3 -14.548 -1.423 -5.636 1.00 0.54 C ATOM 47 C ASP A 3 -13.350 -0.958 -4.811 1.00 0.47 C ATOM 48 O ASP A 3 -13.508 -0.300 -3.783 1.00 0.49 O ATOM 49 CB ASP A 3 -14.832 -0.410 -6.746 1.00 0.61 C ATOM 50 CG ASP A 3 -15.802 -0.944 -7.781 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.954 -2.181 -7.871 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.411 -0.126 -8.503 1.00 1.64 O ATOM 0 H ASP A 3 -15.881 -0.891 -4.099 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.301 -2.389 -6.076 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.238 0.501 -6.307 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.896 -0.139 -7.235 1.00 0.61 H new ATOM 57 N PRO A 4 -12.128 -1.297 -5.261 1.00 0.44 N ATOM 58 CA PRO A 4 -10.897 -0.919 -4.574 1.00 0.41 C ATOM 59 C PRO A 4 -10.430 0.481 -4.964 1.00 0.38 C ATOM 60 O PRO A 4 -10.889 1.042 -5.959 1.00 0.43 O ATOM 61 CB PRO A 4 -9.908 -1.973 -5.062 1.00 0.45 C ATOM 62 CG PRO A 4 -10.352 -2.274 -6.456 1.00 0.50 C ATOM 63 CD PRO A 4 -11.850 -2.081 -6.480 1.00 0.50 C ATOM 0 HA PRO A 4 -11.012 -0.885 -3.491 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.885 -1.598 -5.042 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -9.934 -2.864 -4.435 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.864 -1.611 -7.170 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.088 -3.294 -6.736 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.170 -1.551 -7.377 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.376 -3.036 -6.469 1.00 0.50 H new ATOM 71 N PRO A 5 -9.507 1.066 -4.183 1.00 0.37 N ATOM 72 CA PRO A 5 -8.983 2.408 -4.453 1.00 0.39 C ATOM 73 C PRO A 5 -8.250 2.495 -5.791 1.00 0.38 C ATOM 74 O PRO A 5 -8.388 1.619 -6.644 1.00 0.47 O ATOM 75 CB PRO A 5 -8.017 2.665 -3.292 1.00 0.46 C ATOM 76 CG PRO A 5 -7.701 1.321 -2.730 1.00 0.71 C ATOM 77 CD PRO A 5 -8.910 0.466 -2.979 1.00 0.43 C ATOM 0 HA PRO A 5 -9.784 3.144 -4.524 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.114 3.168 -3.637 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.472 3.308 -2.539 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.819 0.896 -3.210 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.484 1.386 -1.664 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.638 -0.577 -3.142 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.599 0.488 -2.135 1.00 0.43 H new ATOM 85 N GLY A 6 -7.476 3.565 -5.967 1.00 0.37 N ATOM 86 CA GLY A 6 -6.737 3.758 -7.205 1.00 0.39 C ATOM 87 C GLY A 6 -5.354 3.128 -7.182 1.00 0.42 C ATOM 88 O GLY A 6 -5.118 2.158 -6.461 1.00 0.66 O ATOM 0 H GLY A 6 -7.348 4.302 -5.274 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.308 3.335 -8.031 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.639 4.826 -7.399 1.00 0.39 H new ATOM 92 N LYS A 7 -4.442 3.683 -7.981 1.00 0.41 N ATOM 93 CA LYS A 7 -3.074 3.177 -8.063 1.00 0.44 C ATOM 94 C LYS A 7 -2.171 3.869 -7.040 1.00 0.37 C ATOM 95 O LYS A 7 -2.081 5.096 -7.018 1.00 0.42 O ATOM 96 CB LYS A 7 -2.514 3.401 -9.469 1.00 0.54 C ATOM 97 CG LYS A 7 -1.793 2.191 -10.037 1.00 0.64 C ATOM 98 CD LYS A 7 -0.518 1.887 -9.263 1.00 1.01 C ATOM 99 CE LYS A 7 0.694 1.845 -10.180 1.00 0.95 C ATOM 100 NZ LYS A 7 1.664 2.931 -9.869 1.00 1.52 N ATOM 0 H LYS A 7 -4.628 4.486 -8.582 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.096 2.110 -7.844 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.331 3.673 -10.137 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.826 4.246 -9.446 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -2.454 1.325 -10.006 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.550 2.369 -11.085 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.368 2.645 -8.495 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.621 0.930 -8.751 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.188 0.878 -10.084 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.368 1.935 -11.216 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.601 2.677 -10.241 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.345 3.818 -10.309 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.724 3.058 -8.839 1.00 1.52 H new ATOM 114 N PRO A 8 -1.481 3.097 -6.177 1.00 0.34 N ATOM 115 CA PRO A 8 -0.584 3.660 -5.157 1.00 0.32 C ATOM 116 C PRO A 8 0.632 4.346 -5.770 1.00 0.33 C ATOM 117 O PRO A 8 1.307 3.782 -6.631 1.00 0.44 O ATOM 118 CB PRO A 8 -0.154 2.437 -4.332 1.00 0.39 C ATOM 119 CG PRO A 8 -1.138 1.371 -4.680 1.00 0.44 C ATOM 120 CD PRO A 8 -1.509 1.629 -6.110 1.00 0.41 C ATOM 0 HA PRO A 8 -1.078 4.431 -4.566 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.863 2.132 -4.580 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.170 2.656 -3.264 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.703 0.379 -4.559 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.013 1.416 -4.032 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.800 1.176 -6.803 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.493 1.229 -6.354 1.00 0.41 H new ATOM 128 N VAL A 9 0.905 5.570 -5.320 1.00 0.34 N ATOM 129 CA VAL A 9 2.042 6.333 -5.825 1.00 0.38 C ATOM 130 C VAL A 9 2.857 6.928 -4.683 1.00 0.34 C ATOM 131 O VAL A 9 2.499 7.972 -4.135 1.00 0.35 O ATOM 132 CB VAL A 9 1.591 7.480 -6.750 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.747 7.950 -7.617 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.411 7.049 -7.607 1.00 1.09 C ATOM 0 H VAL A 9 0.355 6.052 -4.609 1.00 0.34 H new ATOM 0 HA VAL A 9 2.656 5.633 -6.391 1.00 0.38 H new ATOM 0 HB VAL A 9 1.268 8.316 -6.129 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.411 8.760 -8.264 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.557 8.306 -6.981 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.103 7.121 -8.229 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.109 7.874 -8.252 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.699 6.195 -8.220 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.423 6.768 -6.963 1.00 1.09 H new ATOM 144 N PRO A 10 3.965 6.272 -4.300 1.00 0.34 N ATOM 145 CA PRO A 10 4.814 6.747 -3.218 1.00 0.32 C ATOM 146 C PRO A 10 5.138 8.232 -3.321 1.00 0.37 C ATOM 147 O PRO A 10 5.569 8.713 -4.370 1.00 0.64 O ATOM 148 CB PRO A 10 6.088 5.930 -3.359 1.00 0.38 C ATOM 149 CG PRO A 10 5.683 4.682 -4.063 1.00 0.39 C ATOM 150 CD PRO A 10 4.463 5.016 -4.885 1.00 0.42 C ATOM 0 HA PRO A 10 4.316 6.629 -2.255 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.843 6.474 -3.927 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.522 5.708 -2.384 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.490 4.319 -4.700 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.461 3.890 -3.348 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.714 5.140 -5.938 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.715 4.225 -4.826 1.00 0.42 H new ATOM 158 N LEU A 11 4.945 8.949 -2.220 1.00 0.34 N ATOM 159 CA LEU A 11 5.238 10.374 -2.174 1.00 0.43 C ATOM 160 C LEU A 11 6.676 10.571 -1.717 1.00 0.43 C ATOM 161 O LEU A 11 7.346 11.527 -2.107 1.00 0.57 O ATOM 162 CB LEU A 11 4.286 11.094 -1.219 1.00 0.56 C ATOM 163 CG LEU A 11 2.801 10.831 -1.463 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.062 10.723 -0.138 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.201 11.931 -2.326 1.00 1.64 C ATOM 0 H LEU A 11 4.586 8.565 -1.346 1.00 0.34 H new ATOM 0 HA LEU A 11 5.103 10.796 -3.170 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.528 10.799 -0.198 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.466 12.167 -1.292 1.00 0.56 H new ATOM 0 HG LEU A 11 2.696 9.885 -1.995 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.005 10.536 -0.325 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.478 9.902 0.445 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.173 11.654 0.417 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.143 11.728 -2.490 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.313 12.891 -1.822 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.717 11.963 -3.285 1.00 1.64 H new ATOM 177 N ASN A 12 7.139 9.639 -0.889 1.00 0.34 N ATOM 178 CA ASN A 12 8.498 9.671 -0.369 1.00 0.36 C ATOM 179 C ASN A 12 8.957 8.252 -0.082 1.00 0.37 C ATOM 180 O ASN A 12 8.346 7.552 0.718 1.00 0.58 O ATOM 181 CB ASN A 12 8.574 10.514 0.904 1.00 0.42 C ATOM 182 CG ASN A 12 9.994 10.939 1.225 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.843 9.972 1.557 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.326 12.123 1.173 1.00 0.71 N flip ATOM 0 H ASN A 12 6.586 8.847 -0.563 1.00 0.34 H new ATOM 0 HA ASN A 12 9.151 10.125 -1.114 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.949 11.399 0.789 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.169 9.944 1.740 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.642 12.834 0.913 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.285 12.394 1.389 1.00 0.71 H new ATOM 191 N ILE A 13 10.021 7.821 -0.741 1.00 0.38 N ATOM 192 CA ILE A 13 10.515 6.470 -0.537 1.00 0.43 C ATOM 193 C ILE A 13 11.926 6.447 0.041 1.00 0.53 C ATOM 194 O ILE A 13 12.862 7.004 -0.531 1.00 0.75 O ATOM 195 CB ILE A 13 10.461 5.651 -1.844 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.264 6.333 -2.963 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.009 5.453 -2.258 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.556 7.504 -3.618 1.00 0.96 C ATOM 0 H ILE A 13 10.552 8.377 -1.411 1.00 0.38 H new ATOM 0 HA ILE A 13 9.853 6.008 0.195 1.00 0.43 H new ATOM 0 HB ILE A 13 10.918 4.677 -1.667 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.212 6.681 -2.553 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.500 5.593 -3.728 1.00 0.49 H new ATOM 0 HG21 ILE A 13 8.969 4.875 -3.181 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.476 4.918 -1.472 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.541 6.424 -2.418 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.193 7.926 -4.395 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.621 7.162 -4.061 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.345 8.267 -2.869 1.00 0.96 H new ATOM 210 N THR A 14 12.061 5.789 1.188 1.00 0.59 N ATOM 211 CA THR A 14 13.343 5.670 1.867 1.00 0.71 C ATOM 212 C THR A 14 13.679 4.202 2.106 1.00 0.79 C ATOM 213 O THR A 14 12.801 3.340 2.076 1.00 1.46 O ATOM 214 CB THR A 14 13.324 6.424 3.199 1.00 0.75 C ATOM 215 OG1 THR A 14 12.041 6.969 3.451 1.00 0.69 O ATOM 216 CG2 THR A 14 14.324 7.559 3.261 1.00 0.94 C ATOM 0 H THR A 14 11.289 5.327 1.669 1.00 0.59 H new ATOM 0 HA THR A 14 14.109 6.112 1.229 1.00 0.71 H new ATOM 0 HB THR A 14 13.593 5.683 3.951 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.360 6.276 3.324 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.257 8.050 4.232 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.331 7.165 3.122 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.105 8.280 2.474 1.00 0.94 H new ATOM 224 N ARG A 15 14.955 3.926 2.339 1.00 0.66 N ATOM 225 CA ARG A 15 15.413 2.558 2.573 1.00 0.67 C ATOM 226 C ARG A 15 14.727 1.912 3.777 1.00 0.71 C ATOM 227 O ARG A 15 14.808 0.697 3.957 1.00 1.19 O ATOM 228 CB ARG A 15 16.935 2.510 2.758 1.00 0.80 C ATOM 229 CG ARG A 15 17.530 3.725 3.457 1.00 0.96 C ATOM 230 CD ARG A 15 16.792 4.059 4.745 1.00 1.13 C ATOM 231 NE ARG A 15 17.695 4.582 5.767 1.00 1.43 N ATOM 232 CZ ARG A 15 17.292 5.306 6.806 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.007 5.595 6.959 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.176 5.743 7.693 1.00 1.90 N ATOM 0 H ARG A 15 15.693 4.629 2.372 1.00 0.66 H new ATOM 0 HA ARG A 15 15.140 1.986 1.686 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.190 1.618 3.330 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.403 2.406 1.779 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.580 3.537 3.679 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.495 4.583 2.786 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.013 4.793 4.538 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.295 3.165 5.122 1.00 1.13 H new ATOM 0 HE ARG A 15 18.691 4.380 5.678 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.325 5.261 6.278 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.701 6.151 7.758 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.165 5.523 7.578 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.866 6.299 8.490 1.00 1.90 H new ATOM 248 N HIS A 16 14.056 2.710 4.607 1.00 0.50 N ATOM 249 CA HIS A 16 13.381 2.165 5.782 1.00 0.54 C ATOM 250 C HIS A 16 12.025 2.827 6.031 1.00 0.57 C ATOM 251 O HIS A 16 11.522 2.821 7.154 1.00 0.97 O ATOM 252 CB HIS A 16 14.276 2.316 7.010 1.00 0.67 C ATOM 253 CG HIS A 16 14.989 1.053 7.381 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.741 0.339 8.530 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.963 0.374 6.722 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.553 -0.727 8.536 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.315 -0.752 7.460 1.00 0.86 N ATOM 0 H HIS A 16 13.966 3.719 4.490 1.00 0.50 H new ATOM 0 HA HIS A 16 13.192 1.108 5.592 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.011 3.098 6.821 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.670 2.645 7.854 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.396 0.662 5.775 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.580 -1.469 9.320 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.017 -1.452 7.219 1.00 0.86 H new ATOM 265 N THR A 17 11.432 3.384 4.978 1.00 0.43 N ATOM 266 CA THR A 17 10.126 4.037 5.082 1.00 0.42 C ATOM 267 C THR A 17 9.655 4.491 3.711 1.00 0.38 C ATOM 268 O THR A 17 10.250 5.377 3.102 1.00 0.56 O ATOM 269 CB THR A 17 10.178 5.236 6.031 1.00 0.56 C ATOM 270 OG1 THR A 17 11.462 5.835 6.014 1.00 0.65 O ATOM 271 CG2 THR A 17 9.853 4.887 7.467 1.00 0.68 C ATOM 0 H THR A 17 11.834 3.397 4.041 1.00 0.43 H new ATOM 0 HA THR A 17 9.422 3.310 5.486 1.00 0.42 H new ATOM 0 HB THR A 17 9.415 5.922 5.663 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.603 6.282 5.153 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.909 5.785 8.082 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.846 4.473 7.522 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.569 4.151 7.834 1.00 0.68 H new ATOM 279 N VAL A 18 8.589 3.875 3.222 1.00 0.27 N ATOM 280 CA VAL A 18 8.057 4.215 1.914 1.00 0.33 C ATOM 281 C VAL A 18 6.646 4.796 1.999 1.00 0.32 C ATOM 282 O VAL A 18 5.666 4.059 2.110 1.00 0.51 O ATOM 283 CB VAL A 18 8.047 2.975 1.002 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.580 3.344 -0.393 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.427 2.334 0.954 1.00 0.46 C ATOM 0 H VAL A 18 8.078 3.140 3.710 1.00 0.27 H new ATOM 0 HA VAL A 18 8.710 4.979 1.493 1.00 0.33 H new ATOM 0 HB VAL A 18 7.348 2.249 1.417 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.579 2.455 -1.024 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.571 3.754 -0.342 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.253 4.089 -0.817 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.399 1.459 0.304 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.149 3.052 0.565 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.722 2.031 1.958 1.00 0.46 H new ATOM 295 N THR A 19 6.550 6.125 1.938 1.00 0.27 N ATOM 296 CA THR A 19 5.260 6.807 1.997 1.00 0.24 C ATOM 297 C THR A 19 4.610 6.847 0.622 1.00 0.22 C ATOM 298 O THR A 19 5.301 6.978 -0.391 1.00 0.34 O ATOM 299 CB THR A 19 5.408 8.235 2.521 1.00 0.28 C ATOM 300 OG1 THR A 19 5.820 8.239 3.875 1.00 0.35 O ATOM 301 CG2 THR A 19 4.119 9.024 2.425 1.00 0.32 C ATOM 0 H THR A 19 7.352 6.749 1.848 1.00 0.27 H new ATOM 0 HA THR A 19 4.629 6.243 2.684 1.00 0.24 H new ATOM 0 HB THR A 19 6.162 8.706 1.890 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.791 8.117 3.922 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.279 10.031 2.810 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.803 9.080 1.383 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.345 8.530 3.012 1.00 0.32 H new ATOM 309 N LEU A 20 3.278 6.740 0.600 1.00 0.28 N ATOM 310 CA LEU A 20 2.533 6.757 -0.652 1.00 0.26 C ATOM 311 C LEU A 20 1.148 7.373 -0.498 1.00 0.28 C ATOM 312 O LEU A 20 0.624 7.521 0.611 1.00 0.40 O ATOM 313 CB LEU A 20 2.395 5.344 -1.237 1.00 0.33 C ATOM 314 CG LEU A 20 3.008 4.207 -0.412 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.954 3.179 -0.055 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.152 3.585 -1.178 1.00 0.50 C ATOM 0 H LEU A 20 2.700 6.641 1.434 1.00 0.28 H new ATOM 0 HA LEU A 20 3.109 7.380 -1.336 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.335 5.133 -1.376 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.854 5.336 -2.226 1.00 0.33 H new ATOM 0 HG LEU A 20 3.399 4.609 0.523 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.409 2.380 0.531 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.166 3.654 0.529 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.528 2.763 -0.968 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.587 2.777 -0.590 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.783 3.188 -2.124 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.912 4.341 -1.374 1.00 0.50 H new ATOM 328 N LYS A 21 0.565 7.718 -1.643 1.00 0.25 N ATOM 329 CA LYS A 21 -0.762 8.308 -1.701 1.00 0.31 C ATOM 330 C LYS A 21 -1.478 7.832 -2.957 1.00 0.31 C ATOM 331 O LYS A 21 -0.876 7.755 -4.030 1.00 0.51 O ATOM 332 CB LYS A 21 -0.671 9.833 -1.695 1.00 0.40 C ATOM 333 CG LYS A 21 -2.020 10.517 -1.817 1.00 0.81 C ATOM 334 CD LYS A 21 -2.940 10.118 -0.676 1.00 0.95 C ATOM 335 CE LYS A 21 -4.248 10.893 -0.717 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.945 10.733 -2.022 1.00 1.84 N ATOM 0 H LYS A 21 1.003 7.595 -2.556 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.326 7.994 -0.823 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.189 10.157 -0.772 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.033 10.155 -2.518 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.884 11.599 -1.818 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.480 10.253 -2.769 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.147 9.049 -0.731 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.440 10.297 0.276 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.899 10.550 0.087 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.050 11.950 -0.538 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.930 11.054 -1.931 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.461 11.302 -2.746 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.931 9.732 -2.302 1.00 1.84 H new ATOM 350 N TRP A 22 -2.755 7.502 -2.827 1.00 0.25 N ATOM 351 CA TRP A 22 -3.527 7.024 -3.963 1.00 0.24 C ATOM 352 C TRP A 22 -4.883 7.707 -4.049 1.00 0.24 C ATOM 353 O TRP A 22 -5.240 8.522 -3.201 1.00 0.40 O ATOM 354 CB TRP A 22 -3.721 5.518 -3.859 1.00 0.27 C ATOM 355 CG TRP A 22 -4.334 5.077 -2.567 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.649 4.804 -2.338 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.654 4.856 -1.325 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.829 4.426 -1.030 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.621 4.451 -0.388 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.323 4.962 -0.916 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.299 4.149 0.933 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.004 4.662 0.395 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.989 4.260 1.307 1.00 0.32 C ATOM 0 H TRP A 22 -3.275 7.556 -1.951 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.970 7.266 -4.868 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.352 5.184 -4.683 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.755 5.027 -3.979 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.434 4.874 -3.076 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.720 4.168 -0.605 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.557 5.273 -1.611 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.057 3.838 1.637 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.978 4.739 0.722 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.708 4.034 2.325 1.00 0.32 H new ATOM 374 N ALA A 23 -5.635 7.358 -5.085 1.00 0.31 N ATOM 375 CA ALA A 23 -6.957 7.922 -5.295 1.00 0.33 C ATOM 376 C ALA A 23 -7.960 7.331 -4.314 1.00 0.36 C ATOM 377 O ALA A 23 -7.582 6.724 -3.312 1.00 0.83 O ATOM 378 CB ALA A 23 -7.411 7.676 -6.726 1.00 0.36 C ATOM 0 H ALA A 23 -5.348 6.684 -5.794 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.903 8.997 -5.121 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.403 8.103 -6.871 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.709 8.145 -7.416 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.446 6.603 -6.917 1.00 0.36 H new ATOM 384 N LYS A 24 -9.238 7.511 -4.614 1.00 0.59 N ATOM 385 CA LYS A 24 -10.303 6.995 -3.768 1.00 0.61 C ATOM 386 C LYS A 24 -11.293 6.195 -4.600 1.00 0.59 C ATOM 387 O LYS A 24 -11.619 6.583 -5.721 1.00 0.69 O ATOM 388 CB LYS A 24 -11.030 8.147 -3.069 1.00 0.74 C ATOM 389 CG LYS A 24 -11.807 7.730 -1.830 1.00 1.21 C ATOM 390 CD LYS A 24 -13.165 7.137 -2.187 1.00 1.22 C ATOM 391 CE LYS A 24 -14.289 8.125 -1.921 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.594 7.639 -2.447 1.00 2.11 N ATOM 0 H LYS A 24 -9.563 8.013 -5.441 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.861 6.343 -3.014 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.300 8.906 -2.788 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.717 8.611 -3.776 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.228 6.999 -1.267 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.947 8.594 -1.181 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.173 6.849 -3.238 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.331 6.229 -1.607 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.373 8.299 -0.848 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.046 9.083 -2.381 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.333 8.342 -2.245 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.523 7.497 -3.475 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.839 6.738 -1.989 1.00 2.11 H new ATOM 406 N PRO A 25 -11.792 5.066 -4.065 1.00 0.56 N ATOM 407 CA PRO A 25 -12.757 4.222 -4.768 1.00 0.63 C ATOM 408 C PRO A 25 -13.787 5.044 -5.542 1.00 0.75 C ATOM 409 O PRO A 25 -13.964 6.234 -5.284 1.00 0.89 O ATOM 410 CB PRO A 25 -13.419 3.454 -3.635 1.00 0.63 C ATOM 411 CG PRO A 25 -12.362 3.323 -2.591 1.00 0.71 C ATOM 412 CD PRO A 25 -11.460 4.523 -2.732 1.00 0.58 C ATOM 0 HA PRO A 25 -12.288 3.586 -5.519 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.289 3.987 -3.252 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.766 2.477 -3.970 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.804 3.287 -1.595 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.800 2.399 -2.724 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.644 5.255 -1.946 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.409 4.242 -2.666 1.00 0.58 H new ATOM 420 N GLU A 26 -14.453 4.407 -6.495 1.00 0.85 N ATOM 421 CA GLU A 26 -15.449 5.092 -7.318 1.00 1.05 C ATOM 422 C GLU A 26 -16.877 4.731 -6.916 1.00 0.95 C ATOM 423 O GLU A 26 -17.744 5.602 -6.852 1.00 1.12 O ATOM 424 CB GLU A 26 -15.245 4.774 -8.809 1.00 1.29 C ATOM 425 CG GLU A 26 -13.896 4.151 -9.144 1.00 1.83 C ATOM 426 CD GLU A 26 -13.376 4.580 -10.502 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.701 3.906 -11.502 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.644 5.589 -10.564 1.00 2.77 O ATOM 0 H GLU A 26 -14.325 3.420 -6.720 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.307 6.160 -7.150 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.034 4.096 -9.134 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.358 5.694 -9.382 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.172 4.428 -8.378 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.986 3.065 -9.120 1.00 1.83 H new ATOM 435 N TYR A 27 -17.127 3.452 -6.665 1.00 0.85 N ATOM 436 CA TYR A 27 -18.467 3.012 -6.294 1.00 0.84 C ATOM 437 C TYR A 27 -18.561 2.601 -4.828 1.00 0.86 C ATOM 438 O TYR A 27 -19.195 3.286 -4.025 1.00 1.37 O ATOM 439 CB TYR A 27 -18.914 1.853 -7.188 1.00 0.86 C ATOM 440 CG TYR A 27 -20.407 1.819 -7.427 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.020 2.749 -8.257 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.204 0.859 -6.819 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.384 2.722 -8.474 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.568 0.824 -7.029 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.154 1.756 -7.858 1.00 1.19 C ATOM 446 OH TYR A 27 -24.513 1.726 -8.071 1.00 1.35 O ATOM 0 H TYR A 27 -16.430 2.709 -6.710 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.131 3.864 -6.438 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.402 1.926 -8.147 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.605 0.912 -6.732 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.420 3.506 -8.741 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.749 0.126 -6.170 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.845 3.453 -9.122 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.173 0.070 -6.546 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.907 0.985 -7.565 1.00 1.35 H new ATOM 456 N THR A 28 -17.948 1.471 -4.485 1.00 0.65 N ATOM 457 CA THR A 28 -17.991 0.969 -3.115 1.00 0.61 C ATOM 458 C THR A 28 -19.434 0.813 -2.665 1.00 0.66 C ATOM 459 O THR A 28 -19.782 1.135 -1.530 1.00 0.81 O ATOM 460 CB THR A 28 -17.256 1.906 -2.157 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.008 3.085 -1.926 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.896 2.321 -2.656 1.00 0.79 C ATOM 0 H THR A 28 -17.418 0.888 -5.133 1.00 0.65 H new ATOM 0 HA THR A 28 -17.493 -0.000 -3.097 1.00 0.61 H new ATOM 0 HB THR A 28 -17.130 1.334 -1.237 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.735 3.143 -2.581 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.429 2.985 -1.929 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.273 1.437 -2.793 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.001 2.841 -3.608 1.00 0.79 H new ATOM 470 N GLY A 29 -20.271 0.318 -3.569 1.00 0.75 N ATOM 471 CA GLY A 29 -21.676 0.123 -3.261 1.00 0.80 C ATOM 472 C GLY A 29 -22.284 1.313 -2.534 1.00 0.85 C ATOM 473 O GLY A 29 -22.622 2.322 -3.153 1.00 1.01 O ATOM 0 H GLY A 29 -20.000 0.047 -4.514 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.226 -0.054 -4.185 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.789 -0.770 -2.647 1.00 0.80 H new ATOM 477 N GLY A 30 -22.413 1.194 -1.218 1.00 0.83 N ATOM 478 CA GLY A 30 -22.970 2.272 -0.421 1.00 0.89 C ATOM 479 C GLY A 30 -22.155 2.506 0.834 1.00 0.85 C ATOM 480 O GLY A 30 -22.675 2.958 1.855 1.00 0.98 O ATOM 0 H GLY A 30 -22.141 0.367 -0.686 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.001 3.187 -1.013 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.998 2.033 -0.150 1.00 0.89 H new ATOM 484 N PHE A 31 -20.870 2.178 0.753 1.00 0.73 N ATOM 485 CA PHE A 31 -19.953 2.325 1.878 1.00 0.69 C ATOM 486 C PHE A 31 -18.924 3.416 1.613 1.00 0.67 C ATOM 487 O PHE A 31 -19.020 4.154 0.632 1.00 0.74 O ATOM 488 CB PHE A 31 -19.233 0.997 2.158 1.00 0.63 C ATOM 489 CG PHE A 31 -19.843 -0.198 1.465 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.992 -0.787 1.965 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.271 -0.721 0.312 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.559 -1.877 1.333 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.835 -1.810 -0.324 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.981 -2.389 0.188 1.00 0.83 C ATOM 0 H PHE A 31 -20.436 1.804 -0.091 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.542 2.609 2.750 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.192 1.089 1.849 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.232 0.817 3.233 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.450 -0.390 2.859 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.376 -0.271 -0.091 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.454 -2.329 1.734 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.381 -2.208 -1.220 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.424 -3.241 -0.307 1.00 0.83 H new ATOM 504 N LYS A 32 -17.939 3.510 2.499 1.00 0.68 N ATOM 505 CA LYS A 32 -16.882 4.509 2.370 1.00 0.72 C ATOM 506 C LYS A 32 -15.552 3.976 2.890 1.00 0.66 C ATOM 507 O LYS A 32 -14.758 4.721 3.466 1.00 0.74 O ATOM 508 CB LYS A 32 -17.252 5.780 3.132 1.00 0.86 C ATOM 509 CG LYS A 32 -17.219 5.614 4.643 1.00 1.38 C ATOM 510 CD LYS A 32 -16.220 6.561 5.289 1.00 1.38 C ATOM 511 CE LYS A 32 -15.952 6.187 6.738 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.782 4.719 6.911 1.00 2.26 N ATOM 0 H LYS A 32 -17.849 2.906 3.316 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.775 4.739 1.310 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.566 6.577 2.847 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.251 6.097 2.831 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.213 5.798 5.052 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.958 4.585 4.891 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.285 6.542 4.729 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.601 7.581 5.240 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.055 6.700 7.085 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -16.777 6.533 7.361 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.179 4.534 7.738 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.712 4.276 7.055 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.336 4.319 6.061 1.00 2.26 H new ATOM 526 N ILE A 33 -15.311 2.687 2.686 1.00 0.67 N ATOM 527 CA ILE A 33 -14.074 2.068 3.138 1.00 0.66 C ATOM 528 C ILE A 33 -13.923 2.207 4.650 1.00 0.80 C ATOM 529 O ILE A 33 -14.538 3.078 5.264 1.00 1.71 O ATOM 530 CB ILE A 33 -12.850 2.705 2.461 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.078 2.849 0.944 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.603 1.889 2.765 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.712 1.625 0.129 1.00 0.91 C ATOM 0 H ILE A 33 -15.954 2.053 2.212 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.125 1.014 2.866 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.704 3.707 2.863 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.128 3.084 0.769 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.496 3.697 0.582 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.741 2.348 2.281 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.441 1.859 3.843 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.732 0.874 2.390 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.906 1.819 -0.926 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.655 1.398 0.268 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.312 0.776 0.458 1.00 0.91 H new ATOM 545 N THR A 34 -13.104 1.346 5.252 1.00 0.72 N ATOM 546 CA THR A 34 -12.895 1.393 6.697 1.00 0.73 C ATOM 547 C THR A 34 -11.428 1.178 7.089 1.00 0.59 C ATOM 548 O THR A 34 -11.106 1.162 8.277 1.00 0.76 O ATOM 549 CB THR A 34 -13.767 0.348 7.391 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.431 -0.957 6.955 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.249 0.545 7.151 1.00 1.15 C ATOM 0 H THR A 34 -12.580 0.616 4.768 1.00 0.72 H new ATOM 0 HA THR A 34 -13.179 2.394 7.023 1.00 0.73 H new ATOM 0 HB THR A 34 -13.570 0.472 8.456 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.999 -1.611 7.412 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.808 -0.232 7.673 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.551 1.523 7.525 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.456 0.485 6.082 1.00 1.15 H new ATOM 559 N SER A 35 -10.539 1.016 6.106 1.00 0.49 N ATOM 560 CA SER A 35 -9.115 0.806 6.391 1.00 0.47 C ATOM 561 C SER A 35 -8.352 0.372 5.143 1.00 0.45 C ATOM 562 O SER A 35 -8.715 -0.608 4.494 1.00 0.72 O ATOM 563 CB SER A 35 -8.933 -0.254 7.480 1.00 0.64 C ATOM 564 OG SER A 35 -7.598 -0.730 7.514 1.00 1.58 O ATOM 0 H SER A 35 -10.776 1.026 5.114 1.00 0.49 H new ATOM 0 HA SER A 35 -8.713 1.759 6.735 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.196 0.168 8.450 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.614 -1.086 7.299 1.00 0.64 H new ATOM 0 HG SER A 35 -7.509 -1.405 8.219 1.00 1.58 H new ATOM 570 N TYR A 36 -7.289 1.102 4.818 1.00 0.27 N ATOM 571 CA TYR A 36 -6.474 0.784 3.652 1.00 0.28 C ATOM 572 C TYR A 36 -5.211 0.025 4.054 1.00 0.33 C ATOM 573 O TYR A 36 -4.159 0.627 4.276 1.00 0.68 O ATOM 574 CB TYR A 36 -6.094 2.063 2.910 1.00 0.29 C ATOM 575 CG TYR A 36 -7.241 2.705 2.161 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.942 1.998 1.192 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.626 4.016 2.423 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.992 2.576 0.505 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.675 4.601 1.740 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.347 3.895 0.786 1.00 0.60 C ATOM 581 OH TYR A 36 -10.402 4.455 0.102 1.00 0.76 O ATOM 0 H TYR A 36 -6.973 1.916 5.345 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.064 0.146 2.994 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.694 2.781 3.626 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.294 1.837 2.205 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.661 0.979 0.972 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.096 4.586 3.172 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.532 2.013 -0.242 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.963 5.618 1.962 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.534 5.378 0.403 1.00 0.76 H new ATOM 591 N ILE A 37 -5.319 -1.297 4.144 1.00 0.24 N ATOM 592 CA ILE A 37 -4.182 -2.131 4.515 1.00 0.26 C ATOM 593 C ILE A 37 -3.186 -2.233 3.363 1.00 0.33 C ATOM 594 O ILE A 37 -3.529 -2.693 2.275 1.00 0.70 O ATOM 595 CB ILE A 37 -4.628 -3.550 4.917 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.918 -3.493 5.739 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.524 -4.248 5.696 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.096 -4.162 5.064 1.00 1.14 C ATOM 0 H ILE A 37 -6.181 -1.813 3.965 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.705 -1.655 5.372 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.826 -4.123 4.011 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.745 -3.968 6.705 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.167 -2.450 5.937 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.852 -5.250 5.974 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.630 -4.318 5.077 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.298 -3.677 6.597 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.975 -4.083 5.704 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.296 -3.672 4.111 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.867 -5.213 4.891 1.00 1.14 H new ATOM 610 N VAL A 38 -1.952 -1.798 3.606 1.00 0.36 N ATOM 611 CA VAL A 38 -0.916 -1.841 2.581 1.00 0.42 C ATOM 612 C VAL A 38 -0.080 -3.110 2.683 1.00 0.35 C ATOM 613 O VAL A 38 0.728 -3.267 3.597 1.00 0.48 O ATOM 614 CB VAL A 38 0.019 -0.621 2.669 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.916 -0.545 1.442 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.789 0.654 2.827 1.00 0.46 C ATOM 0 H VAL A 38 -1.647 -1.413 4.500 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.433 -1.828 1.621 1.00 0.42 H new ATOM 0 HB VAL A 38 0.655 -0.734 3.547 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.570 0.324 1.522 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.521 -1.449 1.377 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.301 -0.455 0.547 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.114 1.507 2.888 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.450 0.775 1.969 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.384 0.597 3.738 1.00 0.46 H new ATOM 626 N GLU A 39 -0.282 -4.009 1.730 1.00 0.30 N ATOM 627 CA GLU A 39 0.447 -5.267 1.688 1.00 0.33 C ATOM 628 C GLU A 39 1.778 -5.092 0.967 1.00 0.32 C ATOM 629 O GLU A 39 1.858 -4.400 -0.048 1.00 0.43 O ATOM 630 CB GLU A 39 -0.391 -6.334 0.982 1.00 0.42 C ATOM 631 CG GLU A 39 -1.710 -6.626 1.679 1.00 0.51 C ATOM 632 CD GLU A 39 -2.038 -8.107 1.708 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.215 -8.698 0.621 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.118 -8.674 2.818 1.00 1.52 O ATOM 0 H GLU A 39 -0.951 -3.888 0.970 1.00 0.30 H new ATOM 0 HA GLU A 39 0.645 -5.586 2.711 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.592 -6.010 -0.039 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.188 -7.255 0.916 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.669 -6.246 2.700 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.512 -6.090 1.171 1.00 0.51 H new ATOM 641 N LYS A 40 2.822 -5.720 1.495 1.00 0.28 N ATOM 642 CA LYS A 40 4.149 -5.629 0.894 1.00 0.31 C ATOM 643 C LYS A 40 4.549 -6.930 0.227 1.00 0.29 C ATOM 644 O LYS A 40 4.338 -8.013 0.775 1.00 0.35 O ATOM 645 CB LYS A 40 5.220 -5.317 1.939 1.00 0.43 C ATOM 646 CG LYS A 40 4.967 -4.082 2.779 1.00 0.92 C ATOM 647 CD LYS A 40 6.280 -3.525 3.313 1.00 1.14 C ATOM 648 CE LYS A 40 6.849 -4.397 4.420 1.00 1.65 C ATOM 649 NZ LYS A 40 8.169 -4.975 4.050 1.00 1.97 N ATOM 0 H LYS A 40 2.777 -6.296 2.335 1.00 0.28 H new ATOM 0 HA LYS A 40 4.087 -4.826 0.160 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.315 -6.175 2.604 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.177 -5.200 1.430 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.460 -3.325 2.181 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.305 -4.328 3.609 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.002 -3.451 2.500 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.121 -2.515 3.690 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.954 -3.806 5.330 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.150 -5.203 4.643 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.291 -5.893 4.523 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.213 -5.108 3.020 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.927 -4.328 4.348 1.00 1.97 H new ATOM 663 N ARG A 41 5.163 -6.817 -0.935 1.00 0.36 N ATOM 664 CA ARG A 41 5.636 -7.983 -1.649 1.00 0.40 C ATOM 665 C ARG A 41 7.142 -7.875 -1.807 1.00 0.41 C ATOM 666 O ARG A 41 7.638 -7.188 -2.705 1.00 0.43 O ATOM 667 CB ARG A 41 4.955 -8.130 -3.012 1.00 0.46 C ATOM 668 CG ARG A 41 4.727 -9.579 -3.430 1.00 0.58 C ATOM 669 CD ARG A 41 5.391 -9.907 -4.757 1.00 0.88 C ATOM 670 NE ARG A 41 4.624 -9.441 -5.912 1.00 0.95 N ATOM 671 CZ ARG A 41 3.661 -10.145 -6.501 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.327 -11.343 -6.043 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.025 -9.647 -7.553 1.00 1.44 N ATOM 0 H ARG A 41 5.345 -5.929 -1.403 1.00 0.36 H new ATOM 0 HA ARG A 41 5.384 -8.876 -1.076 1.00 0.40 H new ATOM 0 HB2 ARG A 41 3.996 -7.613 -2.987 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.564 -7.635 -3.768 1.00 0.46 H new ATOM 0 HG2 ARG A 41 5.115 -10.243 -2.658 1.00 0.58 H new ATOM 0 HG3 ARG A 41 3.656 -9.769 -3.505 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.383 -9.456 -4.781 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.529 -10.986 -4.831 1.00 0.88 H new ATOM 0 HE ARG A 41 4.841 -8.519 -6.289 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.809 -11.732 -5.233 1.00 1.44 H new ATOM 0 HH12 ARG A 41 2.587 -11.876 -6.501 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.274 -8.725 -7.910 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.287 -10.186 -8.005 1.00 1.44 H new ATOM 687 N ASP A 42 7.859 -8.542 -0.908 1.00 0.50 N ATOM 688 CA ASP A 42 9.312 -8.525 -0.917 1.00 0.57 C ATOM 689 C ASP A 42 9.847 -9.202 -2.168 1.00 0.62 C ATOM 690 O ASP A 42 9.957 -10.426 -2.228 1.00 0.91 O ATOM 691 CB ASP A 42 9.857 -9.225 0.328 1.00 0.71 C ATOM 692 CG ASP A 42 8.755 -9.761 1.219 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.982 -10.624 0.754 1.00 1.59 O ATOM 694 OD2 ASP A 42 8.664 -9.317 2.384 1.00 1.49 O ATOM 0 H ASP A 42 7.451 -9.104 -0.161 1.00 0.50 H new ATOM 0 HA ASP A 42 9.643 -7.486 -0.914 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.507 -10.046 0.025 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.471 -8.525 0.895 1.00 0.71 H new ATOM 699 N LEU A 43 10.174 -8.395 -3.167 1.00 0.63 N ATOM 700 CA LEU A 43 10.696 -8.917 -4.422 1.00 0.68 C ATOM 701 C LEU A 43 12.099 -9.492 -4.230 1.00 0.81 C ATOM 702 O LEU A 43 12.861 -9.011 -3.391 1.00 0.90 O ATOM 703 CB LEU A 43 10.723 -7.817 -5.491 1.00 0.62 C ATOM 704 CG LEU A 43 9.363 -7.199 -5.869 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.211 -8.178 -5.652 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.131 -5.917 -5.086 1.00 0.80 C ATOM 0 H LEU A 43 10.088 -7.379 -3.134 1.00 0.63 H new ATOM 0 HA LEU A 43 10.035 -9.718 -4.755 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.377 -7.018 -5.143 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.175 -8.228 -6.394 1.00 0.62 H new ATOM 0 HG LEU A 43 9.392 -6.965 -6.933 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.271 -7.702 -5.931 1.00 0.70 H new ATOM 0 HD12 LEU A 43 8.365 -9.064 -6.268 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.173 -8.468 -4.602 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.167 -5.491 -5.363 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.138 -6.136 -4.018 1.00 0.80 H new ATOM 0 HD23 LEU A 43 9.922 -5.203 -5.315 1.00 0.80 H new ATOM 718 N PRO A 44 12.463 -10.536 -4.999 1.00 0.92 N ATOM 719 CA PRO A 44 11.601 -11.146 -6.008 1.00 0.99 C ATOM 720 C PRO A 44 10.818 -12.343 -5.474 1.00 1.15 C ATOM 721 O PRO A 44 10.537 -13.288 -6.210 1.00 1.43 O ATOM 722 CB PRO A 44 12.618 -11.599 -7.050 1.00 1.15 C ATOM 723 CG PRO A 44 13.834 -11.970 -6.258 1.00 1.25 C ATOM 724 CD PRO A 44 13.769 -11.210 -4.950 1.00 1.08 C ATOM 0 HA PRO A 44 10.835 -10.463 -6.376 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.245 -12.447 -7.624 1.00 1.15 H new ATOM 0 HB3 PRO A 44 12.837 -10.803 -7.762 1.00 1.15 H new ATOM 0 HG2 PRO A 44 13.862 -13.045 -6.077 1.00 1.25 H new ATOM 0 HG3 PRO A 44 14.742 -11.716 -6.806 1.00 1.25 H new ATOM 0 HD2 PRO A 44 13.841 -11.881 -4.094 1.00 1.08 H new ATOM 0 HD3 PRO A 44 14.586 -10.493 -4.863 1.00 1.08 H new ATOM 732 N ASN A 45 10.466 -12.301 -4.192 1.00 1.14 N ATOM 733 CA ASN A 45 9.714 -13.394 -3.577 1.00 1.33 C ATOM 734 C ASN A 45 8.910 -12.913 -2.373 1.00 1.43 C ATOM 735 O ASN A 45 9.159 -13.331 -1.242 1.00 2.42 O ATOM 736 CB ASN A 45 10.646 -14.541 -3.156 1.00 1.66 C ATOM 737 CG ASN A 45 12.076 -14.095 -2.904 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.235 -12.955 -2.243 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 13.028 -14.770 -3.299 1.00 1.89 N flip ATOM 0 H ASN A 45 10.686 -11.530 -3.562 1.00 1.14 H new ATOM 0 HA ASN A 45 9.018 -13.765 -4.330 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.253 -15.005 -2.251 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.643 -15.305 -3.933 1.00 1.66 H new ATOM 0 HD21 ASN A 45 12.861 -15.641 -3.804 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.983 -14.458 -3.121 1.00 1.89 H new ATOM 746 N GLY A 46 7.939 -12.040 -2.624 1.00 0.90 N ATOM 747 CA GLY A 46 7.108 -11.527 -1.550 1.00 1.12 C ATOM 748 C GLY A 46 5.811 -12.301 -1.415 1.00 0.76 C ATOM 749 O GLY A 46 5.606 -13.301 -2.104 1.00 0.96 O ATOM 0 H GLY A 46 7.713 -11.679 -3.551 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.659 -11.576 -0.611 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.885 -10.476 -1.734 1.00 1.12 H new ATOM 753 N ARG A 47 4.931 -11.843 -0.530 1.00 0.80 N ATOM 754 CA ARG A 47 3.647 -12.507 -0.314 1.00 0.76 C ATOM 755 C ARG A 47 2.584 -11.502 0.117 1.00 0.85 C ATOM 756 O ARG A 47 1.622 -11.855 0.799 1.00 1.71 O ATOM 757 CB ARG A 47 3.761 -13.623 0.742 1.00 0.99 C ATOM 758 CG ARG A 47 5.168 -13.851 1.286 1.00 1.31 C ATOM 759 CD ARG A 47 5.565 -12.770 2.279 1.00 1.11 C ATOM 760 NE ARG A 47 5.864 -13.319 3.597 1.00 1.41 N ATOM 761 CZ ARG A 47 6.511 -12.647 4.544 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.924 -11.408 4.314 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.746 -13.213 5.720 1.00 2.03 N ATOM 0 H ARG A 47 5.082 -11.017 0.049 1.00 0.80 H new ATOM 0 HA ARG A 47 3.352 -12.957 -1.262 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.099 -13.384 1.575 1.00 0.99 H new ATOM 0 HB3 ARG A 47 3.401 -14.554 0.306 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.218 -14.827 1.770 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.880 -13.867 0.461 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.437 -12.236 1.903 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.758 -12.043 2.364 1.00 1.11 H new ATOM 0 HE ARG A 47 5.560 -14.271 3.803 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.745 -10.970 3.410 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.420 -10.893 5.041 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.430 -14.166 5.899 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.243 -12.695 6.445 1.00 2.03 H new ATOM 777 N TRP A 48 2.764 -10.244 -0.287 1.00 0.50 N ATOM 778 CA TRP A 48 1.825 -9.175 0.052 1.00 0.43 C ATOM 779 C TRP A 48 1.359 -9.289 1.498 1.00 0.45 C ATOM 780 O TRP A 48 0.353 -9.935 1.793 1.00 0.65 O ATOM 781 CB TRP A 48 0.634 -9.203 -0.899 1.00 0.47 C ATOM 782 CG TRP A 48 1.055 -9.127 -2.330 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.011 -10.130 -3.253 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.608 -7.989 -3.001 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.500 -9.681 -4.454 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.869 -8.375 -4.325 1.00 0.42 C ATOM 787 CE3 TRP A 48 1.904 -6.681 -2.613 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.414 -7.507 -5.260 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.447 -5.820 -3.544 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.694 -6.239 -4.855 1.00 0.38 C ATOM 0 H TRP A 48 3.556 -9.940 -0.853 1.00 0.50 H new ATOM 0 HA TRP A 48 2.341 -8.221 -0.056 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.063 -10.118 -0.738 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.030 -8.369 -0.672 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.646 -11.129 -3.066 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.575 -10.236 -5.307 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.712 -6.350 -1.603 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.609 -7.827 -6.273 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.685 -4.807 -3.256 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.117 -5.540 -5.562 1.00 0.38 H new ATOM 801 N LEU A 49 2.105 -8.660 2.394 1.00 0.38 N ATOM 802 CA LEU A 49 1.781 -8.692 3.814 1.00 0.42 C ATOM 803 C LEU A 49 1.627 -7.284 4.378 1.00 0.36 C ATOM 804 O LEU A 49 2.410 -6.388 4.064 1.00 0.39 O ATOM 805 CB LEU A 49 2.864 -9.451 4.583 1.00 0.52 C ATOM 806 CG LEU A 49 2.386 -10.731 5.269 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.187 -10.441 6.158 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.039 -11.791 4.235 1.00 0.84 C ATOM 0 H LEU A 49 2.940 -8.121 2.164 1.00 0.38 H new ATOM 0 HA LEU A 49 0.828 -9.208 3.931 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.669 -9.704 3.894 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.287 -8.787 5.337 1.00 0.52 H new ATOM 0 HG LEU A 49 3.194 -11.111 5.894 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.859 -11.363 6.639 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.467 -9.714 6.920 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.374 -10.038 5.553 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.701 -12.695 4.741 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.246 -11.420 3.586 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.921 -12.018 3.637 1.00 0.84 H new ATOM 820 N LYS A 50 0.611 -7.097 5.214 1.00 0.40 N ATOM 821 CA LYS A 50 0.357 -5.790 5.822 1.00 0.40 C ATOM 822 C LYS A 50 1.608 -5.279 6.524 1.00 0.47 C ATOM 823 O LYS A 50 2.214 -5.986 7.330 1.00 0.85 O ATOM 824 CB LYS A 50 -0.806 -5.818 6.836 1.00 0.59 C ATOM 825 CG LYS A 50 -1.748 -7.009 6.721 1.00 0.72 C ATOM 826 CD LYS A 50 -2.866 -6.936 7.751 1.00 1.03 C ATOM 827 CE LYS A 50 -2.317 -6.747 9.156 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.357 -6.983 10.195 1.00 1.30 N ATOM 0 H LYS A 50 -0.048 -7.827 5.486 1.00 0.40 H new ATOM 0 HA LYS A 50 0.077 -5.123 5.007 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.388 -5.804 7.842 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.388 -4.904 6.720 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.176 -7.040 5.719 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.186 -7.933 6.857 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.534 -6.111 7.506 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.459 -7.849 7.711 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -1.483 -7.431 9.315 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -1.924 -5.736 9.259 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -2.943 -6.844 11.139 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.141 -6.314 10.059 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.714 -7.956 10.114 1.00 1.30 H new ATOM 842 N ALA A 51 1.988 -4.046 6.218 1.00 0.45 N ATOM 843 CA ALA A 51 3.162 -3.437 6.824 1.00 0.63 C ATOM 844 C ALA A 51 2.757 -2.322 7.775 1.00 0.55 C ATOM 845 O ALA A 51 3.426 -2.065 8.776 1.00 0.72 O ATOM 846 CB ALA A 51 4.093 -2.901 5.750 1.00 0.86 C ATOM 0 H ALA A 51 1.499 -3.448 5.552 1.00 0.45 H new ATOM 0 HA ALA A 51 3.689 -4.202 7.394 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.967 -2.448 6.219 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.411 -3.719 5.103 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.570 -2.151 5.157 1.00 0.86 H new ATOM 852 N ASN A 52 1.652 -1.663 7.451 1.00 0.42 N ATOM 853 CA ASN A 52 1.147 -0.572 8.271 1.00 0.43 C ATOM 854 C ASN A 52 0.898 -1.037 9.701 1.00 0.59 C ATOM 855 O ASN A 52 1.236 -0.340 10.659 1.00 1.60 O ATOM 856 CB ASN A 52 -0.144 -0.013 7.674 1.00 0.38 C ATOM 857 CG ASN A 52 -1.154 -1.099 7.354 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.842 -2.071 6.665 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.374 -0.938 7.854 1.00 0.62 N ATOM 0 H ASN A 52 1.089 -1.866 6.625 1.00 0.42 H new ATOM 0 HA ASN A 52 1.902 0.214 8.289 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.587 0.696 8.374 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.090 0.541 6.765 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.096 -1.635 7.672 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.589 -0.117 8.420 1.00 0.62 H new ATOM 866 N PHE A 53 0.305 -2.216 9.838 1.00 0.81 N ATOM 867 CA PHE A 53 0.009 -2.770 11.152 1.00 0.82 C ATOM 868 C PHE A 53 -0.857 -1.810 11.961 1.00 0.84 C ATOM 869 O PHE A 53 -0.847 -1.837 13.191 1.00 1.20 O ATOM 870 CB PHE A 53 1.306 -3.070 11.906 1.00 0.96 C ATOM 871 CG PHE A 53 1.194 -4.237 12.844 1.00 1.15 C ATOM 872 CD1 PHE A 53 0.552 -5.401 12.453 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.733 -4.170 14.119 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.449 -6.475 13.316 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.634 -5.241 14.985 1.00 2.08 C ATOM 876 CZ PHE A 53 0.986 -6.398 14.579 1.00 1.96 C ATOM 0 H PHE A 53 0.020 -2.806 9.056 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.543 -3.700 11.014 1.00 0.82 H new ATOM 0 HB2 PHE A 53 2.099 -3.268 11.185 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.602 -2.186 12.471 1.00 0.96 H new ATOM 0 HD1 PHE A 53 0.127 -5.470 11.462 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.236 -3.270 14.439 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.054 -7.376 12.998 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.060 -5.178 15.975 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.903 -7.237 15.254 1.00 1.96 H new ATOM 886 N SER A 54 -1.605 -0.961 11.261 1.00 0.79 N ATOM 887 CA SER A 54 -2.477 0.009 11.913 1.00 0.89 C ATOM 888 C SER A 54 -3.691 0.323 11.043 1.00 0.95 C ATOM 889 O SER A 54 -3.940 -0.348 10.041 1.00 1.89 O ATOM 890 CB SER A 54 -1.705 1.294 12.220 1.00 1.00 C ATOM 891 OG SER A 54 -2.003 1.768 13.523 1.00 1.71 O ATOM 0 H SER A 54 -1.624 -0.926 10.242 1.00 0.79 H new ATOM 0 HA SER A 54 -2.829 -0.427 12.848 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.634 1.109 12.133 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.957 2.058 11.485 1.00 1.00 H new ATOM 0 HG SER A 54 -1.496 2.589 13.696 1.00 1.71 H new ATOM 897 N ASN A 55 -4.445 1.345 11.434 1.00 0.75 N ATOM 898 CA ASN A 55 -5.634 1.745 10.692 1.00 0.69 C ATOM 899 C ASN A 55 -5.312 2.867 9.707 1.00 0.66 C ATOM 900 O ASN A 55 -4.939 3.970 10.106 1.00 1.05 O ATOM 901 CB ASN A 55 -6.736 2.185 11.662 1.00 0.84 C ATOM 902 CG ASN A 55 -7.928 2.820 10.964 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.223 2.365 9.750 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.576 3.711 11.511 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.253 1.911 12.261 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.987 0.886 10.121 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.075 1.321 12.233 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.320 2.896 12.376 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.316 4.031 12.444 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.373 4.129 11.032 1.00 0.83 H new ATOM 911 N ILE A 56 -5.464 2.574 8.420 1.00 0.40 N ATOM 912 CA ILE A 56 -5.198 3.552 7.373 1.00 0.33 C ATOM 913 C ILE A 56 -6.502 4.070 6.778 1.00 0.31 C ATOM 914 O ILE A 56 -7.026 3.502 5.820 1.00 0.53 O ATOM 915 CB ILE A 56 -4.330 2.950 6.252 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.087 2.284 6.842 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.936 4.024 5.248 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.150 1.718 5.797 1.00 0.69 C ATOM 0 H ILE A 56 -5.771 1.664 8.077 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.655 4.379 7.831 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.914 2.191 5.731 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.547 3.013 7.446 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.398 1.482 7.512 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.323 3.581 4.463 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.834 4.456 4.807 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.368 4.805 5.754 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.291 1.261 6.288 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.674 0.965 5.208 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.810 2.519 5.141 1.00 0.69 H new ATOM 930 N LEU A 57 -7.027 5.145 7.358 1.00 0.44 N ATOM 931 CA LEU A 57 -8.276 5.733 6.889 1.00 0.45 C ATOM 932 C LEU A 57 -8.074 6.498 5.585 1.00 0.42 C ATOM 933 O LEU A 57 -8.668 6.164 4.560 1.00 0.60 O ATOM 934 CB LEU A 57 -8.860 6.666 7.956 1.00 0.48 C ATOM 935 CG LEU A 57 -10.168 6.194 8.599 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.832 7.339 9.349 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.115 5.627 7.551 1.00 0.72 C ATOM 0 H LEU A 57 -6.607 5.626 8.153 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.976 4.919 6.702 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.117 6.801 8.742 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -9.029 7.644 7.506 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.932 5.401 9.308 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.760 6.988 9.800 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -10.162 7.699 10.130 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -11.050 8.151 8.655 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.036 5.299 8.033 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.345 6.397 6.814 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.643 4.779 7.055 1.00 0.72 H new ATOM 949 N GLU A 58 -7.235 7.527 5.629 1.00 0.39 N ATOM 950 CA GLU A 58 -6.958 8.336 4.457 1.00 0.43 C ATOM 951 C GLU A 58 -6.046 7.593 3.498 1.00 0.51 C ATOM 952 O GLU A 58 -5.338 6.664 3.889 1.00 1.09 O ATOM 953 CB GLU A 58 -6.315 9.660 4.873 1.00 0.44 C ATOM 954 CG GLU A 58 -4.932 9.498 5.482 1.00 0.44 C ATOM 955 CD GLU A 58 -4.709 10.407 6.676 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.376 11.593 6.466 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.865 9.932 7.822 1.00 1.29 O ATOM 0 H GLU A 58 -6.735 7.818 6.469 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.900 8.542 3.949 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.245 10.311 4.001 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.964 10.160 5.592 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.794 8.461 5.789 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.178 9.709 4.724 1.00 0.44 H new ATOM 964 N ASN A 59 -6.060 8.011 2.243 1.00 0.31 N ATOM 965 CA ASN A 59 -5.225 7.387 1.227 1.00 0.28 C ATOM 966 C ASN A 59 -3.760 7.807 1.385 1.00 0.28 C ATOM 967 O ASN A 59 -2.891 7.325 0.659 1.00 0.49 O ATOM 968 CB ASN A 59 -5.729 7.734 -0.179 1.00 0.32 C ATOM 969 CG ASN A 59 -7.239 7.859 -0.249 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.962 7.279 0.562 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.724 8.620 -1.224 1.00 0.91 N ATOM 0 H ASN A 59 -6.639 8.779 1.903 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.288 6.307 1.362 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.276 8.672 -0.501 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.400 6.965 -0.878 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.732 8.742 -1.322 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.088 9.082 -1.874 1.00 0.91 H new ATOM 978 N GLU A 60 -3.486 8.697 2.344 1.00 0.29 N ATOM 979 CA GLU A 60 -2.125 9.158 2.594 1.00 0.29 C ATOM 980 C GLU A 60 -1.554 8.420 3.794 1.00 0.27 C ATOM 981 O GLU A 60 -1.905 8.712 4.938 1.00 0.35 O ATOM 982 CB GLU A 60 -2.099 10.667 2.851 1.00 0.34 C ATOM 983 CG GLU A 60 -0.709 11.204 3.146 1.00 0.49 C ATOM 984 CD GLU A 60 -0.380 12.450 2.346 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.425 12.386 1.100 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.075 13.489 2.967 1.00 1.91 O ATOM 0 H GLU A 60 -4.190 9.109 2.956 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.519 8.951 1.712 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.503 11.184 1.980 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.755 10.897 3.691 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.629 11.429 4.210 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.028 10.432 2.927 1.00 0.49 H new ATOM 993 N PHE A 61 -0.687 7.451 3.535 1.00 0.24 N ATOM 994 CA PHE A 61 -0.094 6.667 4.612 1.00 0.24 C ATOM 995 C PHE A 61 1.384 6.381 4.357 1.00 0.24 C ATOM 996 O PHE A 61 1.877 6.551 3.241 1.00 0.25 O ATOM 997 CB PHE A 61 -0.866 5.357 4.777 1.00 0.28 C ATOM 998 CG PHE A 61 -0.254 4.428 5.776 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.614 4.496 7.110 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.677 3.482 5.382 1.00 0.37 C ATOM 1001 CE1 PHE A 61 -0.058 3.638 8.033 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.238 2.620 6.301 1.00 0.44 C ATOM 1003 CZ PHE A 61 0.895 2.715 7.629 1.00 0.48 C ATOM 0 H PHE A 61 -0.380 7.190 2.598 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.159 7.250 5.531 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.888 5.582 5.080 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.923 4.854 3.812 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.339 5.230 7.431 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.967 3.418 4.344 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.363 3.684 9.068 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.946 1.871 5.978 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.367 2.072 8.357 1.00 0.48 H new ATOM 1013 N THR A 62 2.087 5.942 5.403 1.00 0.25 N ATOM 1014 CA THR A 62 3.502 5.632 5.297 1.00 0.27 C ATOM 1015 C THR A 62 3.782 4.187 5.671 1.00 0.29 C ATOM 1016 O THR A 62 3.599 3.787 6.820 1.00 0.35 O ATOM 1017 CB THR A 62 4.331 6.555 6.186 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.917 7.902 6.042 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.817 6.496 5.899 1.00 0.37 C ATOM 0 H THR A 62 1.693 5.795 6.332 1.00 0.25 H new ATOM 0 HA THR A 62 3.787 5.786 4.256 1.00 0.27 H new ATOM 0 HB THR A 62 4.162 6.198 7.202 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.415 8.321 5.309 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.344 7.177 6.567 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.178 5.480 6.058 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.000 6.789 4.865 1.00 0.37 H new ATOM 1027 N VAL A 63 4.234 3.409 4.697 1.00 0.31 N ATOM 1028 CA VAL A 63 4.541 2.010 4.937 1.00 0.36 C ATOM 1029 C VAL A 63 5.947 1.847 5.489 1.00 0.38 C ATOM 1030 O VAL A 63 6.912 1.708 4.740 1.00 0.50 O ATOM 1031 CB VAL A 63 4.392 1.163 3.662 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.675 -0.298 3.965 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.000 1.332 3.080 1.00 0.58 C ATOM 0 H VAL A 63 4.395 3.722 3.740 1.00 0.31 H new ATOM 0 HA VAL A 63 3.821 1.654 5.673 1.00 0.36 H new ATOM 0 HB VAL A 63 5.117 1.506 2.924 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.566 -0.886 3.054 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.692 -0.401 4.344 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.970 -0.657 4.715 1.00 1.08 H new ATOM 0 HG21 VAL A 63 2.907 0.727 2.178 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.258 1.010 3.811 1.00 0.58 H new ATOM 0 HG23 VAL A 63 2.834 2.381 2.833 1.00 0.58 H new ATOM 1043 N SER A 64 6.048 1.865 6.810 1.00 0.49 N ATOM 1044 CA SER A 64 7.331 1.719 7.478 1.00 0.55 C ATOM 1045 C SER A 64 7.594 0.265 7.842 1.00 0.63 C ATOM 1046 O SER A 64 6.664 -0.512 8.062 1.00 0.99 O ATOM 1047 CB SER A 64 7.380 2.588 8.733 1.00 0.63 C ATOM 1048 OG SER A 64 6.497 3.691 8.628 1.00 1.33 O ATOM 0 H SER A 64 5.255 1.980 7.441 1.00 0.49 H new ATOM 0 HA SER A 64 8.108 2.047 6.788 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.115 1.989 9.604 1.00 0.63 H new ATOM 0 HB3 SER A 64 8.397 2.947 8.890 1.00 0.63 H new ATOM 0 HG SER A 64 6.547 4.229 9.445 1.00 1.33 H new ATOM 1054 N GLY A 65 8.868 -0.094 7.900 1.00 0.71 N ATOM 1055 CA GLY A 65 9.247 -1.452 8.234 1.00 0.78 C ATOM 1056 C GLY A 65 9.967 -2.147 7.094 1.00 0.72 C ATOM 1057 O GLY A 65 10.119 -3.369 7.102 1.00 0.90 O ATOM 0 H GLY A 65 9.651 0.535 7.721 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.890 -1.441 9.114 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.356 -2.021 8.498 1.00 0.78 H new ATOM 1061 N LEU A 66 10.412 -1.370 6.110 1.00 0.64 N ATOM 1062 CA LEU A 66 11.115 -1.919 4.965 1.00 0.65 C ATOM 1063 C LEU A 66 12.362 -2.681 5.393 1.00 0.59 C ATOM 1064 O LEU A 66 12.671 -2.780 6.580 1.00 0.65 O ATOM 1065 CB LEU A 66 11.502 -0.793 4.012 1.00 0.74 C ATOM 1066 CG LEU A 66 10.352 -0.226 3.180 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.603 -1.341 2.464 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.405 0.582 4.046 1.00 0.89 C ATOM 0 H LEU A 66 10.296 -0.357 6.087 1.00 0.64 H new ATOM 0 HA LEU A 66 10.448 -2.618 4.460 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.945 0.017 4.592 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.274 -1.159 3.335 1.00 0.74 H new ATOM 0 HG LEU A 66 10.777 0.439 2.428 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.789 -0.915 1.878 1.00 1.47 H new ATOM 0 HD12 LEU A 66 10.287 -1.872 1.802 1.00 1.47 H new ATOM 0 HD13 LEU A 66 9.196 -2.036 3.199 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.595 0.975 3.431 1.00 0.89 H new ATOM 0 HD22 LEU A 66 8.991 -0.057 4.826 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.947 1.409 4.504 1.00 0.89 H new ATOM 1080 N THR A 67 13.073 -3.213 4.410 1.00 0.65 N ATOM 1081 CA THR A 67 14.294 -3.964 4.662 1.00 0.69 C ATOM 1082 C THR A 67 15.397 -3.508 3.715 1.00 0.72 C ATOM 1083 O THR A 67 15.346 -3.770 2.513 1.00 1.06 O ATOM 1084 CB THR A 67 14.040 -5.463 4.496 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.860 -5.849 5.180 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.170 -6.325 5.012 1.00 0.99 C ATOM 0 H THR A 67 12.823 -3.138 3.424 1.00 0.65 H new ATOM 0 HA THR A 67 14.613 -3.777 5.687 1.00 0.69 H new ATOM 0 HB THR A 67 13.947 -5.622 3.422 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.197 -6.169 4.533 1.00 0.96 H new ATOM 0 HG21 THR A 67 14.923 -7.376 4.863 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.086 -6.087 4.471 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.317 -6.134 6.075 1.00 0.99 H new ATOM 1094 N GLU A 68 16.391 -2.815 4.265 1.00 0.66 N ATOM 1095 CA GLU A 68 17.510 -2.304 3.477 1.00 0.67 C ATOM 1096 C GLU A 68 17.997 -3.327 2.453 1.00 0.60 C ATOM 1097 O GLU A 68 18.148 -4.510 2.759 1.00 0.69 O ATOM 1098 CB GLU A 68 18.661 -1.899 4.400 1.00 0.76 C ATOM 1099 CG GLU A 68 19.175 -0.492 4.148 1.00 0.96 C ATOM 1100 CD GLU A 68 20.661 -0.461 3.850 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.459 -0.521 4.809 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.026 -0.375 2.660 1.00 1.89 O ATOM 0 H GLU A 68 16.444 -2.593 5.259 1.00 0.66 H new ATOM 0 HA GLU A 68 17.157 -1.430 2.930 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.330 -1.976 5.436 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.482 -2.605 4.275 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.631 -0.054 3.311 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.970 0.128 5.021 1.00 0.96 H new ATOM 1109 N ASP A 69 18.241 -2.851 1.237 1.00 0.52 N ATOM 1110 CA ASP A 69 18.711 -3.706 0.154 1.00 0.49 C ATOM 1111 C ASP A 69 17.654 -4.734 -0.236 1.00 0.44 C ATOM 1112 O ASP A 69 17.873 -5.938 -0.108 1.00 0.54 O ATOM 1113 CB ASP A 69 20.001 -4.419 0.563 1.00 0.59 C ATOM 1114 CG ASP A 69 21.117 -3.450 0.899 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.837 -2.238 1.012 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.271 -3.903 1.050 1.00 1.87 O ATOM 0 H ASP A 69 18.120 -1.872 0.976 1.00 0.52 H new ATOM 0 HA ASP A 69 18.908 -3.072 -0.710 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.803 -5.054 1.426 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.324 -5.073 -0.247 1.00 0.59 H new ATOM 1121 N ALA A 70 16.506 -4.255 -0.712 1.00 0.40 N ATOM 1122 CA ALA A 70 15.428 -5.148 -1.115 1.00 0.40 C ATOM 1123 C ALA A 70 14.273 -4.383 -1.744 1.00 0.35 C ATOM 1124 O ALA A 70 13.603 -3.599 -1.074 1.00 0.36 O ATOM 1125 CB ALA A 70 14.929 -5.942 0.080 1.00 0.49 C ATOM 0 H ALA A 70 16.302 -3.262 -0.826 1.00 0.40 H new ATOM 0 HA ALA A 70 15.828 -5.831 -1.864 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.123 -6.605 -0.235 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.747 -6.534 0.491 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.558 -5.257 0.843 1.00 0.49 H new ATOM 1131 N ALA A 71 14.032 -4.623 -3.028 1.00 0.33 N ATOM 1132 CA ALA A 71 12.940 -3.957 -3.723 1.00 0.30 C ATOM 1133 C ALA A 71 11.615 -4.378 -3.117 1.00 0.27 C ATOM 1134 O ALA A 71 11.398 -5.556 -2.833 1.00 0.36 O ATOM 1135 CB ALA A 71 12.984 -4.255 -5.211 1.00 0.34 C ATOM 0 H ALA A 71 14.573 -5.268 -3.603 1.00 0.33 H new ATOM 0 HA ALA A 71 13.049 -2.879 -3.604 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.158 -3.746 -5.709 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.929 -3.903 -5.625 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.896 -5.330 -5.370 1.00 0.34 H new ATOM 1141 N TYR A 72 10.739 -3.411 -2.893 1.00 0.24 N ATOM 1142 CA TYR A 72 9.454 -3.700 -2.285 1.00 0.24 C ATOM 1143 C TYR A 72 8.278 -3.135 -3.072 1.00 0.21 C ATOM 1144 O TYR A 72 8.175 -1.925 -3.267 1.00 0.23 O ATOM 1145 CB TYR A 72 9.427 -3.116 -0.877 1.00 0.30 C ATOM 1146 CG TYR A 72 10.096 -3.986 0.156 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.418 -5.058 0.713 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.397 -3.733 0.578 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.010 -5.859 1.663 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.000 -4.534 1.530 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.301 -5.595 2.071 1.00 0.46 C ATOM 1152 OH TYR A 72 11.894 -6.397 3.020 1.00 0.56 O ATOM 0 H TYR A 72 10.894 -2.429 -3.121 1.00 0.24 H new ATOM 0 HA TYR A 72 9.344 -4.784 -2.271 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.915 -2.141 -0.889 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.391 -2.950 -0.582 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.407 -5.269 0.396 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.942 -2.901 0.157 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.466 -6.690 2.087 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.012 -4.331 1.849 1.00 0.42 H new ATOM 0 HH TYR A 72 12.546 -6.988 2.588 1.00 0.56 H new ATOM 1162 N GLU A 73 7.373 -4.016 -3.486 1.00 0.21 N ATOM 1163 CA GLU A 73 6.180 -3.590 -4.209 1.00 0.21 C ATOM 1164 C GLU A 73 5.029 -3.540 -3.211 1.00 0.23 C ATOM 1165 O GLU A 73 4.876 -4.457 -2.406 1.00 0.32 O ATOM 1166 CB GLU A 73 5.866 -4.545 -5.361 1.00 0.25 C ATOM 1167 CG GLU A 73 6.396 -4.067 -6.705 1.00 0.65 C ATOM 1168 CD GLU A 73 5.387 -4.235 -7.825 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.845 -5.350 -7.974 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.138 -3.250 -8.552 1.00 1.50 O ATOM 0 H GLU A 73 7.442 -5.022 -3.335 1.00 0.21 H new ATOM 0 HA GLU A 73 6.339 -2.606 -4.651 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.292 -5.523 -5.138 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.786 -4.676 -5.431 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.676 -3.016 -6.628 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.302 -4.621 -6.951 1.00 0.65 H new ATOM 1177 N PHE A 74 4.237 -2.469 -3.217 1.00 0.22 N ATOM 1178 CA PHE A 74 3.147 -2.377 -2.231 1.00 0.28 C ATOM 1179 C PHE A 74 1.741 -2.324 -2.822 1.00 0.25 C ATOM 1180 O PHE A 74 1.363 -1.352 -3.473 1.00 0.30 O ATOM 1181 CB PHE A 74 3.341 -1.162 -1.325 1.00 0.39 C ATOM 1182 CG PHE A 74 4.767 -0.904 -0.937 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.405 -1.729 -0.027 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.470 0.156 -1.487 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.717 -1.500 0.331 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.783 0.388 -1.131 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.401 -0.411 -0.218 1.00 0.53 C ATOM 0 H PHE A 74 4.317 -1.682 -3.861 1.00 0.22 H new ATOM 0 HA PHE A 74 3.213 -3.308 -1.668 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.949 -0.280 -1.831 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.749 -1.300 -0.420 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.870 -2.561 0.407 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.986 0.806 -2.201 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.213 -2.157 1.030 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.324 1.208 -1.579 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.418 -0.204 0.082 1.00 0.53 H new ATOM 1197 N ARG A 75 0.963 -3.373 -2.535 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.431 -3.479 -2.975 1.00 0.34 C ATOM 1199 C ARG A 75 -1.345 -3.114 -1.816 1.00 0.31 C ATOM 1200 O ARG A 75 -1.120 -3.566 -0.698 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.743 -4.913 -3.418 1.00 0.46 C ATOM 1202 CG ARG A 75 -2.146 -5.100 -3.968 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.125 -5.536 -5.423 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.323 -6.745 -5.643 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.440 -7.514 -6.720 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.316 -7.205 -7.666 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -0.680 -8.591 -6.853 1.00 2.11 N ATOM 0 H ARG A 75 1.283 -4.174 -1.990 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.590 -2.803 -3.815 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -0.023 -5.211 -4.180 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.605 -5.582 -2.569 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.674 -5.845 -3.372 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.701 -4.166 -3.876 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -3.146 -5.717 -5.758 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.728 -4.726 -6.035 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.640 -7.009 -4.932 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.902 -6.376 -7.568 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -2.404 -7.797 -8.492 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -0.004 -8.831 -6.128 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -0.771 -9.180 -7.680 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.375 -2.307 -2.054 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.267 -1.942 -0.954 1.00 0.39 C ATOM 1223 C VAL A 76 -4.633 -2.625 -1.081 1.00 0.31 C ATOM 1224 O VAL A 76 -5.300 -2.540 -2.109 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.402 -0.385 -0.761 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.014 0.391 -2.011 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.794 0.040 -0.291 1.00 0.47 C ATOM 0 H VAL A 76 -2.609 -1.905 -2.962 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.798 -2.317 -0.044 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.695 -0.135 0.030 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.125 1.459 -1.825 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.977 0.173 -2.268 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.662 0.097 -2.837 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.824 1.124 -0.176 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.536 -0.268 -1.027 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.015 -0.432 0.666 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.026 -3.290 -0.001 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.291 -3.982 0.083 1.00 0.31 C ATOM 1239 C ILE A 77 -7.132 -3.303 1.155 1.00 0.30 C ATOM 1240 O ILE A 77 -6.592 -2.843 2.162 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.073 -5.463 0.444 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.241 -6.153 -0.636 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.398 -6.175 0.627 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.829 -7.564 -0.274 1.00 0.42 C ATOM 0 H ILE A 77 -4.463 -3.360 0.847 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.800 -3.942 -0.880 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.530 -5.509 1.388 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.813 -6.177 -1.564 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.347 -5.560 -0.828 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.218 -7.219 0.881 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.960 -5.698 1.430 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.971 -6.121 -0.299 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.242 -7.991 -1.087 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.230 -7.546 0.636 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.719 -8.172 -0.111 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.439 -3.218 0.954 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.285 -2.559 1.945 1.00 0.30 C ATOM 1258 C ALA A 78 -10.725 -3.031 1.881 1.00 0.34 C ATOM 1259 O ALA A 78 -11.312 -3.125 0.811 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.226 -1.052 1.752 1.00 0.39 C ATOM 0 H ALA A 78 -8.929 -3.585 0.138 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.900 -2.825 2.930 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.859 -0.565 2.494 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.198 -0.710 1.871 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.579 -0.799 0.752 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.305 -3.315 3.035 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.683 -3.758 3.070 1.00 0.43 C ATOM 1268 C LYS A 79 -13.624 -2.573 3.071 1.00 0.59 C ATOM 1269 O LYS A 79 -13.198 -1.420 3.020 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.970 -4.623 4.295 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.303 -5.982 4.274 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.332 -7.089 4.453 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.717 -8.327 5.079 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.327 -8.647 6.398 1.00 1.98 N ATOM 0 H LYS A 79 -10.850 -3.248 3.945 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.846 -4.358 2.175 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.646 -4.087 5.187 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.048 -4.762 4.381 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.775 -6.119 3.330 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.558 -6.039 5.068 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.148 -6.730 5.081 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.763 -7.346 3.485 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.844 -9.175 4.406 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.645 -8.176 5.203 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.878 -9.499 6.790 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.184 -7.849 7.049 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.346 -8.817 6.277 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.908 -2.871 3.131 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.927 -1.847 3.141 1.00 0.70 C ATOM 1290 C ASN A 80 -16.874 -2.061 4.318 1.00 0.87 C ATOM 1291 O ASN A 80 -16.644 -2.923 5.164 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.701 -1.876 1.826 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.009 -3.288 1.372 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.106 -4.064 1.061 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.288 -3.627 1.333 1.00 2.05 N ATOM 0 H ASN A 80 -15.269 -3.824 3.174 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.452 -0.872 3.250 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.633 -1.323 1.943 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.123 -1.367 1.055 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.558 -4.565 1.036 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.003 -2.951 1.600 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.934 -1.272 4.361 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.919 -1.365 5.429 1.00 0.82 C ATOM 1304 C ALA A 81 -19.739 -2.654 5.345 1.00 0.88 C ATOM 1305 O ALA A 81 -20.463 -2.993 6.281 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.839 -0.158 5.379 1.00 0.83 C ATOM 0 H ALA A 81 -18.137 -0.555 3.665 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.382 -1.384 6.377 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.576 -0.229 6.179 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.252 0.752 5.505 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.350 -0.130 4.417 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.633 -3.366 4.225 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.382 -4.606 4.042 1.00 0.90 C ATOM 1314 C ALA A 82 -19.499 -5.846 4.208 1.00 0.88 C ATOM 1315 O ALA A 82 -19.996 -6.972 4.162 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.063 -4.619 2.681 1.00 0.94 C ATOM 0 H ALA A 82 -19.040 -3.108 3.436 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.141 -4.643 4.823 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.617 -5.550 2.560 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.750 -3.776 2.610 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.310 -4.541 1.897 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.196 -5.647 4.401 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.296 -6.775 4.571 1.00 0.86 C ATOM 1324 C GLY A 83 -16.790 -7.344 3.255 1.00 0.78 C ATOM 1325 O GLY A 83 -16.000 -8.288 3.250 1.00 0.93 O ATOM 0 H GLY A 83 -17.750 -4.730 4.442 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.444 -6.463 5.176 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.810 -7.561 5.125 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.234 -6.772 2.136 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.802 -7.241 0.822 1.00 0.78 C ATOM 1331 C ALA A 84 -15.391 -6.747 0.532 1.00 0.76 C ATOM 1332 O ALA A 84 -15.182 -5.850 -0.284 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.769 -6.778 -0.254 1.00 0.92 C ATOM 0 H ALA A 84 -17.888 -5.989 2.114 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.795 -8.331 0.821 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.431 -7.137 -1.226 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.762 -7.176 -0.046 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.809 -5.689 -0.263 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.431 -7.336 1.231 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.023 -6.970 1.102 1.00 0.40 C ATOM 1341 C ILE A 85 -12.607 -6.610 -0.312 1.00 0.38 C ATOM 1342 O ILE A 85 -12.735 -7.415 -1.233 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.088 -8.096 1.595 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.648 -7.585 1.669 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.172 -9.308 0.673 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.907 -8.036 2.908 1.00 0.79 C ATOM 0 H ILE A 85 -14.604 -8.082 1.905 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.922 -6.084 1.728 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.408 -8.402 2.591 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.105 -7.925 0.787 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.656 -6.495 1.637 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.506 -10.090 1.038 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.196 -9.682 0.656 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.875 -9.019 -0.335 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.893 -7.636 2.892 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.426 -7.673 3.795 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.867 -9.125 2.932 1.00 0.79 H new ATOM 1358 N SER A 86 -12.063 -5.405 -0.464 1.00 0.39 N ATOM 1359 CA SER A 86 -11.574 -4.965 -1.761 1.00 0.45 C ATOM 1360 C SER A 86 -10.245 -5.667 -2.008 1.00 0.44 C ATOM 1361 O SER A 86 -9.245 -5.349 -1.354 1.00 0.43 O ATOM 1362 CB SER A 86 -11.390 -3.444 -1.808 1.00 0.54 C ATOM 1363 OG SER A 86 -10.132 -3.056 -1.277 1.00 0.59 O ATOM 0 H SER A 86 -11.952 -4.725 0.288 1.00 0.39 H new ATOM 0 HA SER A 86 -12.300 -5.218 -2.534 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.474 -3.098 -2.838 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.189 -2.962 -1.244 1.00 0.54 H new ATOM 0 HG SER A 86 -10.270 -2.454 -0.516 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.214 -6.649 -2.930 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.000 -7.414 -3.228 1.00 0.61 C ATOM 1371 C PRO A 87 -7.811 -6.540 -3.613 1.00 0.54 C ATOM 1372 O PRO A 87 -7.951 -5.331 -3.801 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.417 -8.328 -4.389 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.678 -7.740 -4.919 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.353 -7.106 -3.742 1.00 0.59 C ATOM 0 HA PRO A 87 -8.651 -7.959 -2.351 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.646 -8.363 -5.158 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.573 -9.351 -4.047 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.471 -7.004 -5.696 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.310 -8.507 -5.367 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -11.997 -6.278 -4.040 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -11.978 -7.817 -3.201 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.615 -7.156 -3.727 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.375 -6.471 -4.078 1.00 0.56 C ATOM 1385 C PRO A 88 -5.584 -5.288 -5.010 1.00 0.48 C ATOM 1386 O PRO A 88 -6.121 -5.438 -6.107 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.575 -7.557 -4.795 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.127 -8.869 -4.319 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.372 -8.588 -3.512 1.00 0.72 C ATOM 0 HA PRO A 88 -4.890 -6.050 -3.197 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.674 -7.463 -5.876 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.513 -7.475 -4.563 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.360 -9.514 -5.166 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.390 -9.394 -3.712 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.213 -9.192 -3.852 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.223 -8.814 -2.456 1.00 0.72 H new ATOM 1397 N SER A 89 -5.147 -4.115 -4.574 1.00 0.43 N ATOM 1398 CA SER A 89 -5.280 -2.919 -5.390 1.00 0.42 C ATOM 1399 C SER A 89 -3.924 -2.512 -5.947 1.00 0.35 C ATOM 1400 O SER A 89 -3.095 -1.961 -5.216 1.00 0.51 O ATOM 1401 CB SER A 89 -5.893 -1.769 -4.589 1.00 0.56 C ATOM 1402 OG SER A 89 -4.896 -1.005 -3.935 1.00 1.28 O ATOM 0 H SER A 89 -4.702 -3.967 -3.668 1.00 0.43 H new ATOM 0 HA SER A 89 -5.951 -3.146 -6.219 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.468 -1.126 -5.255 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.590 -2.168 -3.852 1.00 0.56 H new ATOM 0 HG SER A 89 -5.035 -1.047 -2.966 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.733 -2.808 -7.249 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.497 -2.511 -8.013 1.00 0.37 C ATOM 1410 C GLU A 90 -1.337 -2.044 -7.134 1.00 0.34 C ATOM 1411 O GLU A 90 -1.400 -0.976 -6.535 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.793 -1.451 -9.075 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.735 -1.987 -10.495 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.315 -2.221 -10.973 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.489 -2.700 -10.167 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.029 -1.922 -12.151 1.00 1.77 O ATOM 0 H GLU A 90 -4.446 -3.270 -7.813 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.183 -3.446 -8.477 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.782 -1.031 -8.893 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -2.077 -0.635 -8.973 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -3.291 -2.923 -10.549 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.229 -1.283 -11.165 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.257 -2.832 -7.034 1.00 0.30 N ATOM 1424 CA PRO A 91 0.889 -2.469 -6.203 1.00 0.29 C ATOM 1425 C PRO A 91 1.679 -1.273 -6.714 1.00 0.31 C ATOM 1426 O PRO A 91 1.582 -0.895 -7.880 1.00 0.55 O ATOM 1427 CB PRO A 91 1.778 -3.709 -6.223 1.00 0.36 C ATOM 1428 CG PRO A 91 0.940 -4.806 -6.794 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.058 -4.131 -7.695 1.00 0.39 C ATOM 0 HA PRO A 91 0.546 -2.172 -5.212 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.668 -3.542 -6.830 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.119 -3.961 -5.219 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.552 -5.516 -7.350 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.438 -5.366 -6.005 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.324 -4.016 -8.709 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.987 -4.696 -7.767 1.00 0.39 H new ATOM 1437 N SER A 92 2.480 -0.699 -5.818 1.00 0.27 N ATOM 1438 CA SER A 92 3.320 0.439 -6.148 1.00 0.31 C ATOM 1439 C SER A 92 4.714 -0.050 -6.500 1.00 0.27 C ATOM 1440 O SER A 92 5.135 -1.110 -6.022 1.00 0.24 O ATOM 1441 CB SER A 92 3.405 1.420 -4.976 1.00 0.39 C ATOM 1442 OG SER A 92 2.651 0.966 -3.868 1.00 1.23 O ATOM 0 H SER A 92 2.561 -1.011 -4.850 1.00 0.27 H new ATOM 0 HA SER A 92 2.878 0.958 -6.999 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.447 1.548 -4.681 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.040 2.398 -5.291 1.00 0.39 H new ATOM 0 HG SER A 92 2.593 1.679 -3.198 1.00 1.23 H new ATOM 1448 N ASP A 93 5.413 0.726 -7.334 1.00 0.33 N ATOM 1449 CA ASP A 93 6.773 0.400 -7.780 1.00 0.36 C ATOM 1450 C ASP A 93 7.579 -0.319 -6.702 1.00 0.32 C ATOM 1451 O ASP A 93 7.293 -0.199 -5.511 1.00 0.56 O ATOM 1452 CB ASP A 93 7.509 1.674 -8.201 1.00 0.45 C ATOM 1453 CG ASP A 93 7.921 1.648 -9.659 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.365 0.580 -10.133 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.801 2.696 -10.329 1.00 1.55 O ATOM 0 H ASP A 93 5.052 1.599 -7.720 1.00 0.33 H new ATOM 0 HA ASP A 93 6.677 -0.275 -8.631 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.867 2.537 -8.023 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.394 1.801 -7.578 1.00 0.45 H new ATOM 1460 N ALA A 94 8.586 -1.068 -7.131 1.00 0.33 N ATOM 1461 CA ALA A 94 9.429 -1.808 -6.206 1.00 0.28 C ATOM 1462 C ALA A 94 10.633 -0.979 -5.766 1.00 0.29 C ATOM 1463 O ALA A 94 11.598 -0.818 -6.514 1.00 0.41 O ATOM 1464 CB ALA A 94 9.887 -3.107 -6.846 1.00 0.34 C ATOM 0 H ALA A 94 8.838 -1.178 -8.113 1.00 0.33 H new ATOM 0 HA ALA A 94 8.840 -2.035 -5.318 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.518 -3.655 -6.146 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.018 -3.713 -7.102 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.454 -2.887 -7.750 1.00 0.34 H new ATOM 1470 N ILE A 95 10.566 -0.453 -4.548 1.00 0.25 N ATOM 1471 CA ILE A 95 11.643 0.363 -4.000 1.00 0.28 C ATOM 1472 C ILE A 95 12.755 -0.502 -3.407 1.00 0.26 C ATOM 1473 O ILE A 95 12.567 -1.143 -2.373 1.00 0.25 O ATOM 1474 CB ILE A 95 11.096 1.315 -2.915 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.066 2.258 -3.526 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.214 2.108 -2.255 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.673 1.678 -3.571 1.00 0.44 C ATOM 0 H ILE A 95 9.773 -0.578 -3.919 1.00 0.25 H new ATOM 0 HA ILE A 95 12.062 0.946 -4.820 1.00 0.28 H new ATOM 0 HB ILE A 95 10.619 0.712 -2.143 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.047 3.184 -2.952 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.377 2.516 -4.538 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.793 2.768 -1.496 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.920 1.422 -1.788 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.731 2.703 -3.008 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.992 2.402 -4.017 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.677 0.767 -4.169 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.343 1.445 -2.559 1.00 0.44 H new ATOM 1489 N THR A 96 13.915 -0.514 -4.066 1.00 0.29 N ATOM 1490 CA THR A 96 15.060 -1.297 -3.600 1.00 0.32 C ATOM 1491 C THR A 96 15.311 -1.050 -2.121 1.00 0.32 C ATOM 1492 O THR A 96 15.702 -1.954 -1.382 1.00 0.38 O ATOM 1493 CB THR A 96 16.310 -0.941 -4.406 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.108 -1.198 -5.784 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.539 -1.709 -3.971 1.00 0.43 C ATOM 0 H THR A 96 14.086 0.010 -4.924 1.00 0.29 H new ATOM 0 HA THR A 96 14.833 -2.353 -3.745 1.00 0.32 H new ATOM 0 HB THR A 96 16.480 0.120 -4.224 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.918 -0.962 -6.283 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.390 -1.410 -4.582 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.751 -1.494 -2.924 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.362 -2.778 -4.093 1.00 0.43 H new ATOM 1503 N CYS A 97 15.075 0.182 -1.697 1.00 0.32 N ATOM 1504 CA CYS A 97 15.267 0.558 -0.302 1.00 0.36 C ATOM 1505 C CYS A 97 16.696 0.272 0.151 1.00 0.43 C ATOM 1506 O CYS A 97 16.957 -0.733 0.807 1.00 0.64 O ATOM 1507 CB CYS A 97 14.278 -0.206 0.582 1.00 0.38 C ATOM 1508 SG CYS A 97 12.550 0.279 0.356 1.00 1.10 S ATOM 0 H CYS A 97 14.750 0.940 -2.298 1.00 0.32 H new ATOM 0 HA CYS A 97 15.087 1.629 -0.208 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.374 -1.272 0.377 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.552 -0.057 1.626 1.00 0.38 H new ATOM 0 HG CYS A 97 12.128 -0.145 -0.798 1.00 1.10 H new ATOM 1514 N ARG A 98 17.621 1.162 -0.203 1.00 0.53 N ATOM 1515 CA ARG A 98 19.024 0.996 0.174 1.00 0.63 C ATOM 1516 C ARG A 98 19.596 2.280 0.769 1.00 0.80 C ATOM 1517 O ARG A 98 19.573 2.475 1.985 1.00 1.04 O ATOM 1518 CB ARG A 98 19.861 0.549 -1.031 1.00 0.68 C ATOM 1519 CG ARG A 98 19.340 1.050 -2.371 1.00 0.74 C ATOM 1520 CD ARG A 98 20.458 1.607 -3.239 1.00 0.92 C ATOM 1521 NE ARG A 98 20.883 0.656 -4.266 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.809 -0.282 -4.077 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.415 -0.407 -2.904 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.129 -1.103 -5.069 1.00 2.68 N ATOM 0 H ARG A 98 17.426 2.002 -0.748 1.00 0.53 H new ATOM 0 HA ARG A 98 19.070 0.220 0.938 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.885 0.898 -0.898 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.896 -0.540 -1.051 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.844 0.234 -2.896 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.590 1.823 -2.203 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.122 2.528 -3.715 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.310 1.866 -2.610 1.00 0.92 H new ATOM 0 HE ARG A 98 20.443 0.715 -5.184 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.173 0.219 -2.136 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.123 -1.129 -2.770 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.666 -1.015 -5.974 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.838 -1.822 -4.927 1.00 2.68 H new ATOM 1538 N ASP A 99 20.107 3.151 -0.089 1.00 0.92 N ATOM 1539 CA ASP A 99 20.684 4.415 0.353 1.00 1.20 C ATOM 1540 C ASP A 99 19.828 5.609 -0.079 1.00 1.03 C ATOM 1541 O ASP A 99 20.172 6.757 0.202 1.00 1.20 O ATOM 1542 CB ASP A 99 22.102 4.568 -0.200 1.00 1.61 C ATOM 1543 CG ASP A 99 22.150 5.440 -1.440 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.624 6.571 -1.392 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.713 4.990 -2.461 1.00 2.08 O ATOM 0 H ASP A 99 20.134 3.006 -1.098 1.00 0.92 H new ATOM 0 HA ASP A 99 20.716 4.400 1.442 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.744 4.999 0.568 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.505 3.583 -0.436 1.00 1.61 H new ATOM 1550 N ASP A 100 18.714 5.336 -0.764 1.00 0.85 N ATOM 1551 CA ASP A 100 17.819 6.392 -1.230 1.00 0.92 C ATOM 1552 C ASP A 100 18.596 7.510 -1.920 1.00 1.22 C ATOM 1553 O ASP A 100 18.154 8.658 -1.956 1.00 1.38 O ATOM 1554 CB ASP A 100 16.999 6.955 -0.066 1.00 0.87 C ATOM 1555 CG ASP A 100 15.546 6.522 -0.104 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.249 5.402 0.365 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.706 7.301 -0.601 1.00 2.03 O ATOM 0 H ASP A 100 18.413 4.392 -1.007 1.00 0.85 H new ATOM 0 HA ASP A 100 17.138 5.954 -1.959 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.444 6.633 0.875 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.049 8.044 -0.086 1.00 0.87 H new