USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 18 THR OG1 : rot -170:sc= -1.07 USER MOD Single : A 20 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.9!) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -0.599 (180deg=-2.03!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.677 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -43:sc= -1.2 USER MOD Single : A 32 SER OG : rot -51:sc= 0.693 USER MOD Single : A 34 ASN : amide:sc= -5.77! C(o=-5.8!,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= -0.489 (180deg=-2.26!) USER MOD Single : A 40 THR OG1 : rot 3:sc= 1.17 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc=-0.00446 (180deg=-0.106) USER MOD Single : A 42 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= -0.479 (180deg=-2.47!) USER MOD Single : A 61 HIS : no HE2:sc= -0.0267 K(o=-0.027,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 32:sc= 0.933 USER MOD Single : A 76 TYR OH : rot 66:sc= 1.23 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00424 X(o=-0.0042,f=-0.26) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -14.024 -1.924 12.851 1.00 0.00 N ATOM 67 CA LEU A 8 -12.786 -2.444 12.280 1.00 0.00 C ATOM 68 C LEU A 8 -11.570 -1.825 12.962 1.00 0.00 C ATOM 69 O LEU A 8 -11.413 -0.604 12.986 1.00 0.00 O ATOM 70 CB LEU A 8 -12.738 -2.167 10.777 1.00 0.00 C ATOM 71 CG LEU A 8 -11.712 -2.972 9.978 1.00 0.00 C ATOM 72 CD1 LEU A 8 -12.138 -4.428 9.876 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.523 -2.371 8.593 1.00 0.00 C ATOM 0 HA LEU A 8 -12.763 -3.521 12.445 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.726 -2.361 10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.533 -1.107 10.630 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.758 -2.930 10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.396 -4.985 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.220 -4.854 10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.104 -4.490 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.790 -2.957 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.473 -2.381 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.171 -1.344 8.687 1.00 0.00 H new ATOM 85 N LYS A 9 -10.711 -2.675 13.513 1.00 0.00 N ATOM 86 CA LYS A 9 -9.506 -2.213 14.193 1.00 0.00 C ATOM 87 C LYS A 9 -8.257 -2.599 13.407 1.00 0.00 C ATOM 88 O LYS A 9 -8.189 -3.681 12.823 1.00 0.00 O ATOM 89 CB LYS A 9 -9.435 -2.800 15.604 1.00 0.00 C ATOM 90 CG LYS A 9 -8.346 -2.183 16.465 1.00 0.00 C ATOM 91 CD LYS A 9 -8.674 -0.746 16.834 1.00 0.00 C ATOM 92 CE LYS A 9 -7.540 -0.097 17.612 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.545 -0.508 19.044 1.00 0.00 N ATOM 0 H LYS A 9 -10.826 -3.688 13.502 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.551 -1.126 14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.398 -2.661 16.095 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.266 -3.874 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.221 -2.773 17.373 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.397 -2.215 15.930 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.870 -0.172 15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.586 -0.722 17.430 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.586 -0.369 17.159 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.627 0.987 17.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.757 -0.045 19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.445 -0.226 19.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.436 -1.540 19.109 1.00 0.00 H new ATOM 107 N ILE A 10 -7.271 -1.708 13.398 1.00 0.00 N ATOM 108 CA ILE A 10 -6.023 -1.958 12.686 1.00 0.00 C ATOM 109 C ILE A 10 -4.980 -2.581 13.607 1.00 0.00 C ATOM 110 O ILE A 10 -4.507 -1.944 14.549 1.00 0.00 O ATOM 111 CB ILE A 10 -5.450 -0.661 12.084 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.444 -0.051 11.092 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.118 -0.937 11.404 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.623 0.624 11.757 1.00 0.00 C ATOM 0 H ILE A 10 -7.312 -0.807 13.875 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.253 -2.654 11.879 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.284 0.054 12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.923 0.676 10.469 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.811 -0.835 10.429 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.725 -0.011 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.412 -1.332 12.134 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.261 -1.666 10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.286 1.033 10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.168 -0.104 12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.267 1.430 12.398 1.00 0.00 H new ATOM 126 N LEU A 11 -4.623 -3.830 13.328 1.00 0.00 N ATOM 127 CA LEU A 11 -3.633 -4.540 14.131 1.00 0.00 C ATOM 128 C LEU A 11 -2.219 -4.106 13.760 1.00 0.00 C ATOM 129 O LEU A 11 -1.533 -3.449 14.544 1.00 0.00 O ATOM 130 CB LEU A 11 -3.782 -6.051 13.940 1.00 0.00 C ATOM 131 CG LEU A 11 -5.068 -6.673 14.485 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.934 -8.185 14.572 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.407 -6.087 15.848 1.00 0.00 C ATOM 0 H LEU A 11 -5.004 -4.372 12.552 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.806 -4.293 15.179 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.720 -6.270 12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.934 -6.543 14.417 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.882 -6.440 13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.859 -8.610 14.962 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.738 -8.591 13.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.109 -8.439 15.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.325 -6.541 16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.593 -6.290 16.544 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.546 -5.010 15.757 1.00 0.00 H new ATOM 145 N THR A 12 -1.788 -4.476 12.558 1.00 0.00 N ATOM 146 CA THR A 12 -0.456 -4.125 12.082 1.00 0.00 C ATOM 147 C THR A 12 -0.527 -3.100 10.955 1.00 0.00 C ATOM 148 O THR A 12 -0.568 -3.444 9.774 1.00 0.00 O ATOM 149 CB THR A 12 0.309 -5.366 11.585 1.00 0.00 C ATOM 150 OG1 THR A 12 0.425 -6.326 12.641 1.00 0.00 O ATOM 151 CG2 THR A 12 1.694 -4.984 11.085 1.00 0.00 C ATOM 0 H THR A 12 -2.343 -5.019 11.896 1.00 0.00 H new ATOM 0 HA THR A 12 0.078 -3.694 12.929 1.00 0.00 H new ATOM 0 HB THR A 12 -0.250 -5.803 10.758 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.911 -7.113 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.215 -5.877 10.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.601 -4.276 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.260 -4.525 11.896 1.00 0.00 H new ATOM 159 N PRO A 13 -0.541 -1.812 11.326 1.00 0.00 N ATOM 160 CA PRO A 13 -0.606 -0.711 10.361 1.00 0.00 C ATOM 161 C PRO A 13 0.683 -0.567 9.558 1.00 0.00 C ATOM 162 O PRO A 13 1.770 -0.869 10.051 1.00 0.00 O ATOM 163 CB PRO A 13 -0.826 0.522 11.242 1.00 0.00 C ATOM 164 CG PRO A 13 -0.256 0.147 12.566 1.00 0.00 C ATOM 165 CD PRO A 13 -0.494 -1.330 12.717 1.00 0.00 C ATOM 0 HA PRO A 13 -1.389 -0.867 9.618 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.326 1.398 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.885 0.768 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.808 0.377 12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.737 0.704 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.305 -1.810 13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.425 -1.535 13.245 1.00 0.00 H new ATOM 173 N LEU A 14 0.554 -0.105 8.319 1.00 0.00 N ATOM 174 CA LEU A 14 1.709 0.079 7.447 1.00 0.00 C ATOM 175 C LEU A 14 2.841 0.785 8.186 1.00 0.00 C ATOM 176 O LEU A 14 2.621 1.439 9.205 1.00 0.00 O ATOM 177 CB LEU A 14 1.314 0.884 6.208 1.00 0.00 C ATOM 178 CG LEU A 14 0.188 0.296 5.356 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.532 1.394 4.590 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.735 -0.754 4.400 1.00 0.00 C ATOM 0 H LEU A 14 -0.339 0.149 7.896 1.00 0.00 H new ATOM 0 HA LEU A 14 2.060 -0.905 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.017 1.883 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.196 1.000 5.578 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.530 -0.185 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.329 0.956 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.958 2.109 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.175 1.905 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.080 -1.161 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.474 -0.297 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.203 -1.557 4.970 1.00 0.00 H new ATOM 192 N THR A 15 4.056 0.650 7.663 1.00 0.00 N ATOM 193 CA THR A 15 5.224 1.275 8.271 1.00 0.00 C ATOM 194 C THR A 15 6.078 1.981 7.224 1.00 0.00 C ATOM 195 O THR A 15 6.177 1.529 6.083 1.00 0.00 O ATOM 196 CB THR A 15 6.092 0.242 9.013 1.00 0.00 C ATOM 197 OG1 THR A 15 6.442 -0.829 8.129 1.00 0.00 O ATOM 198 CG2 THR A 15 5.356 -0.313 10.224 1.00 0.00 C ATOM 0 H THR A 15 4.257 0.113 6.819 1.00 0.00 H new ATOM 0 HA THR A 15 4.853 2.008 8.987 1.00 0.00 H new ATOM 0 HB THR A 15 6.999 0.741 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.995 -1.481 8.608 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.989 -1.041 10.732 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.117 0.501 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.435 -0.797 9.900 1.00 0.00 H new ATOM 206 N ASP A 16 6.693 3.090 7.619 1.00 0.00 N ATOM 207 CA ASP A 16 7.541 3.858 6.714 1.00 0.00 C ATOM 208 C ASP A 16 8.576 2.959 6.045 1.00 0.00 C ATOM 209 O ASP A 16 9.252 2.174 6.710 1.00 0.00 O ATOM 210 CB ASP A 16 8.242 4.986 7.472 1.00 0.00 C ATOM 211 CG ASP A 16 8.971 4.490 8.706 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.306 4.272 9.741 1.00 0.00 O ATOM 213 OD2 ASP A 16 10.206 4.319 8.636 1.00 0.00 O ATOM 0 H ASP A 16 6.620 3.478 8.560 1.00 0.00 H new ATOM 0 HA ASP A 16 6.906 4.290 5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.952 5.479 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.506 5.735 7.765 1.00 0.00 H new ATOM 218 N GLN A 17 8.692 3.078 4.727 1.00 0.00 N ATOM 219 CA GLN A 17 9.643 2.274 3.968 1.00 0.00 C ATOM 220 C GLN A 17 10.403 3.134 2.963 1.00 0.00 C ATOM 221 O GLN A 17 9.802 3.873 2.182 1.00 0.00 O ATOM 222 CB GLN A 17 8.919 1.139 3.242 1.00 0.00 C ATOM 223 CG GLN A 17 9.794 -0.079 2.992 1.00 0.00 C ATOM 224 CD GLN A 17 10.276 -0.725 4.276 1.00 0.00 C ATOM 225 OE1 GLN A 17 11.478 -0.827 4.519 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.337 -1.165 5.106 1.00 0.00 N ATOM 0 H GLN A 17 8.140 3.723 4.162 1.00 0.00 H new ATOM 0 HA GLN A 17 10.360 1.847 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.051 0.838 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.545 1.510 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.234 -0.811 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.655 0.214 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.352 -1.059 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.601 -1.608 5.986 1.00 0.00 H new ATOM 235 N THR A 18 11.728 3.033 2.988 1.00 0.00 N ATOM 236 CA THR A 18 12.570 3.803 2.081 1.00 0.00 C ATOM 237 C THR A 18 13.588 2.907 1.383 1.00 0.00 C ATOM 238 O THR A 18 14.139 1.988 1.988 1.00 0.00 O ATOM 239 CB THR A 18 13.317 4.927 2.824 1.00 0.00 C ATOM 240 OG1 THR A 18 12.395 5.949 3.219 1.00 0.00 O ATOM 241 CG2 THR A 18 14.402 5.528 1.945 1.00 0.00 C ATOM 0 H THR A 18 12.241 2.425 3.627 1.00 0.00 H new ATOM 0 HA THR A 18 11.909 4.247 1.337 1.00 0.00 H new ATOM 0 HB THR A 18 13.786 4.499 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.891 6.728 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.916 6.319 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.118 4.753 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.952 5.943 1.043 1.00 0.00 H new ATOM 249 N VAL A 19 13.833 3.182 0.106 1.00 0.00 N ATOM 250 CA VAL A 19 14.787 2.403 -0.675 1.00 0.00 C ATOM 251 C VAL A 19 15.392 3.238 -1.797 1.00 0.00 C ATOM 252 O VAL A 19 14.981 4.374 -2.030 1.00 0.00 O ATOM 253 CB VAL A 19 14.125 1.151 -1.281 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.704 0.185 -0.184 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.935 1.543 -2.144 1.00 0.00 C ATOM 0 H VAL A 19 13.384 3.939 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 19 15.577 2.093 0.009 1.00 0.00 H new ATOM 0 HB VAL A 19 14.854 0.647 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.238 -0.693 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.580 -0.121 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.991 0.676 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.479 0.646 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.202 2.071 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.270 2.193 -2.953 1.00 0.00 H new ATOM 265 N ASN A 20 16.372 2.667 -2.490 1.00 0.00 N ATOM 266 CA ASN A 20 17.035 3.359 -3.589 1.00 0.00 C ATOM 267 C ASN A 20 16.296 3.127 -4.903 1.00 0.00 C ATOM 268 O ASN A 20 15.689 2.075 -5.110 1.00 0.00 O ATOM 269 CB ASN A 20 18.485 2.887 -3.716 1.00 0.00 C ATOM 270 CG ASN A 20 19.399 3.968 -4.260 1.00 0.00 C ATOM 271 OD1 ASN A 20 20.009 4.720 -3.501 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.498 4.049 -5.582 1.00 0.00 N ATOM 0 H ASN A 20 16.724 1.727 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 20 17.025 4.427 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.847 2.567 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.525 2.017 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.099 4.756 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.974 3.404 -6.173 1.00 0.00 H new ATOM 279 N LEU A 21 16.351 4.115 -5.789 1.00 0.00 N ATOM 280 CA LEU A 21 15.688 4.019 -7.085 1.00 0.00 C ATOM 281 C LEU A 21 16.009 2.691 -7.764 1.00 0.00 C ATOM 282 O LEU A 21 17.172 2.308 -7.883 1.00 0.00 O ATOM 283 CB LEU A 21 16.113 5.180 -7.985 1.00 0.00 C ATOM 284 CG LEU A 21 15.158 5.528 -9.127 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.301 6.992 -9.516 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.412 4.628 -10.328 1.00 0.00 C ATOM 0 H LEU A 21 16.848 4.992 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 21 14.612 4.071 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.243 6.066 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.088 4.944 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 21 14.137 5.363 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.613 7.221 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.068 7.621 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.324 7.184 -9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.723 4.890 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.438 4.761 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.257 3.588 -10.042 1.00 0.00 H new ATOM 298 N GLY A 22 14.968 1.993 -8.210 1.00 0.00 N ATOM 299 CA GLY A 22 15.160 0.717 -8.873 1.00 0.00 C ATOM 300 C GLY A 22 14.858 -0.459 -7.966 1.00 0.00 C ATOM 301 O GLY A 22 14.376 -1.496 -8.422 1.00 0.00 O ATOM 0 H GLY A 22 13.996 2.289 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.518 0.668 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.189 0.645 -9.225 1.00 0.00 H new ATOM 305 N LYS A 23 15.143 -0.300 -6.679 1.00 0.00 N ATOM 306 CA LYS A 23 14.900 -1.357 -5.704 1.00 0.00 C ATOM 307 C LYS A 23 13.435 -1.782 -5.718 1.00 0.00 C ATOM 308 O LYS A 23 12.575 -1.060 -6.219 1.00 0.00 O ATOM 309 CB LYS A 23 15.292 -0.886 -4.302 1.00 0.00 C ATOM 310 CG LYS A 23 16.793 -0.807 -4.084 1.00 0.00 C ATOM 311 CD LYS A 23 17.375 -2.164 -3.723 1.00 0.00 C ATOM 312 CE LYS A 23 17.242 -2.450 -2.235 1.00 0.00 C ATOM 313 NZ LYS A 23 15.916 -3.038 -1.900 1.00 0.00 N ATOM 0 H LYS A 23 15.543 0.552 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 23 15.513 -2.216 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.855 0.096 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.862 -1.565 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.274 -0.432 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.009 -0.094 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.865 -2.942 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.426 -2.198 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.032 -3.134 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.382 -1.526 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.029 -3.739 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.272 -2.285 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.519 -3.502 -2.742 1.00 0.00 H new ATOM 327 N GLU A 24 13.160 -2.959 -5.162 1.00 0.00 N ATOM 328 CA GLU A 24 11.799 -3.479 -5.111 1.00 0.00 C ATOM 329 C GLU A 24 11.144 -3.158 -3.770 1.00 0.00 C ATOM 330 O GLU A 24 11.440 -3.791 -2.756 1.00 0.00 O ATOM 331 CB GLU A 24 11.798 -4.991 -5.343 1.00 0.00 C ATOM 332 CG GLU A 24 10.411 -5.575 -5.549 1.00 0.00 C ATOM 333 CD GLU A 24 10.443 -7.055 -5.878 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.177 -7.439 -6.812 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.734 -7.828 -5.201 1.00 0.00 O ATOM 0 H GLU A 24 13.861 -3.569 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 24 11.223 -2.997 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.411 -5.216 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.266 -5.481 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.818 -5.420 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.911 -5.038 -6.355 1.00 0.00 H new ATOM 342 N ILE A 25 10.254 -2.172 -3.774 1.00 0.00 N ATOM 343 CA ILE A 25 9.558 -1.767 -2.559 1.00 0.00 C ATOM 344 C ILE A 25 8.533 -2.815 -2.139 1.00 0.00 C ATOM 345 O ILE A 25 8.004 -3.551 -2.973 1.00 0.00 O ATOM 346 CB ILE A 25 8.846 -0.414 -2.743 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.817 0.627 -3.303 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.258 0.059 -1.421 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.201 1.997 -3.479 1.00 0.00 C ATOM 0 H ILE A 25 9.998 -1.639 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 25 10.314 -1.668 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 25 8.031 -0.543 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.675 0.707 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.193 0.280 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.758 1.016 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.538 -0.675 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.057 0.175 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.948 2.683 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.360 1.932 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.851 2.365 -2.515 1.00 0.00 H new ATOM 361 N CYS A 26 8.255 -2.876 -0.841 1.00 0.00 N ATOM 362 CA CYS A 26 7.292 -3.833 -0.309 1.00 0.00 C ATOM 363 C CYS A 26 6.704 -3.338 1.008 1.00 0.00 C ATOM 364 O CYS A 26 7.393 -2.703 1.808 1.00 0.00 O ATOM 365 CB CYS A 26 7.956 -5.196 -0.105 1.00 0.00 C ATOM 366 SG CYS A 26 7.109 -6.258 1.088 1.00 0.00 S ATOM 0 H CYS A 26 8.683 -2.274 -0.138 1.00 0.00 H new ATOM 0 HA CYS A 26 6.482 -3.936 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.005 -5.712 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.983 -5.042 0.227 1.00 0.00 H new ATOM 0 HG CYS A 26 7.744 -7.388 1.190 1.00 0.00 H new ATOM 372 N LEU A 27 5.427 -3.631 1.227 1.00 0.00 N ATOM 373 CA LEU A 27 4.745 -3.214 2.447 1.00 0.00 C ATOM 374 C LEU A 27 3.895 -4.348 3.010 1.00 0.00 C ATOM 375 O LEU A 27 3.444 -5.226 2.274 1.00 0.00 O ATOM 376 CB LEU A 27 3.868 -1.992 2.172 1.00 0.00 C ATOM 377 CG LEU A 27 4.600 -0.729 1.717 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.651 0.201 0.977 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.225 -0.017 2.908 1.00 0.00 C ATOM 0 H LEU A 27 4.843 -4.156 0.576 1.00 0.00 H new ATOM 0 HA LEU A 27 5.502 -2.951 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.137 -2.259 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.311 -1.758 3.079 1.00 0.00 H new ATOM 0 HG LEU A 27 5.397 -1.021 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.190 1.094 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.250 -0.310 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.832 0.486 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.742 0.880 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.444 0.262 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.937 -0.682 3.397 1.00 0.00 H new ATOM 391 N LYS A 28 3.677 -4.323 4.321 1.00 0.00 N ATOM 392 CA LYS A 28 2.878 -5.347 4.984 1.00 0.00 C ATOM 393 C LYS A 28 1.998 -4.733 6.068 1.00 0.00 C ATOM 394 O LYS A 28 2.473 -3.960 6.901 1.00 0.00 O ATOM 395 CB LYS A 28 3.786 -6.417 5.594 1.00 0.00 C ATOM 396 CG LYS A 28 3.041 -7.441 6.433 1.00 0.00 C ATOM 397 CD LYS A 28 3.939 -8.605 6.819 1.00 0.00 C ATOM 398 CE LYS A 28 3.452 -9.287 8.087 1.00 0.00 C ATOM 399 NZ LYS A 28 3.831 -10.727 8.123 1.00 0.00 N ATOM 0 H LYS A 28 4.043 -3.604 4.945 1.00 0.00 H new ATOM 0 HA LYS A 28 2.234 -5.810 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.315 -6.932 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.540 -5.932 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.655 -6.964 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.181 -7.813 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.969 -9.328 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.958 -8.247 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.871 -8.779 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.368 -9.195 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.481 -11.156 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.411 -11.217 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.867 -10.815 8.083 1.00 0.00 H new ATOM 413 N CYS A 29 0.717 -5.082 6.053 1.00 0.00 N ATOM 414 CA CYS A 29 -0.229 -4.565 7.036 1.00 0.00 C ATOM 415 C CYS A 29 -1.296 -5.605 7.362 1.00 0.00 C ATOM 416 O CYS A 29 -1.693 -6.391 6.503 1.00 0.00 O ATOM 417 CB CYS A 29 -0.887 -3.286 6.517 1.00 0.00 C ATOM 418 SG CYS A 29 -1.887 -3.521 5.030 1.00 0.00 S ATOM 0 H CYS A 29 0.309 -5.721 5.371 1.00 0.00 H new ATOM 0 HA CYS A 29 0.321 -4.337 7.949 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.517 -2.869 7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.111 -2.550 6.307 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.259 -4.304 4.204 1.00 0.00 H new ATOM 424 N GLU A 30 -1.755 -5.603 8.610 1.00 0.00 N ATOM 425 CA GLU A 30 -2.775 -6.547 9.050 1.00 0.00 C ATOM 426 C GLU A 30 -3.991 -5.815 9.609 1.00 0.00 C ATOM 427 O GLU A 30 -3.882 -4.684 10.085 1.00 0.00 O ATOM 428 CB GLU A 30 -2.203 -7.492 10.109 1.00 0.00 C ATOM 429 CG GLU A 30 -3.180 -8.566 10.558 1.00 0.00 C ATOM 430 CD GLU A 30 -2.542 -9.588 11.478 1.00 0.00 C ATOM 431 OE1 GLU A 30 -2.012 -9.186 12.535 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.572 -10.790 11.141 1.00 0.00 O ATOM 0 H GLU A 30 -1.437 -4.958 9.333 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.091 -7.130 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.308 -7.970 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.894 -6.908 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.020 -8.096 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.584 -9.074 9.682 1.00 0.00 H new ATOM 439 N ILE A 31 -5.147 -6.466 9.547 1.00 0.00 N ATOM 440 CA ILE A 31 -6.383 -5.877 10.047 1.00 0.00 C ATOM 441 C ILE A 31 -7.165 -6.876 10.893 1.00 0.00 C ATOM 442 O ILE A 31 -6.701 -7.988 11.146 1.00 0.00 O ATOM 443 CB ILE A 31 -7.279 -5.386 8.895 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.254 -6.387 7.737 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.830 -4.011 8.423 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.008 -5.915 6.514 1.00 0.00 C ATOM 0 H ILE A 31 -5.254 -7.402 9.155 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.099 -5.025 10.664 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.303 -5.307 9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.218 -6.585 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.680 -7.332 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.473 -3.678 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.895 -3.303 9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.799 -4.065 8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.948 -6.674 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.053 -5.744 6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.568 -4.986 6.151 1.00 0.00 H new ATOM 458 N SER A 32 -8.354 -6.472 11.328 1.00 0.00 N ATOM 459 CA SER A 32 -9.200 -7.331 12.148 1.00 0.00 C ATOM 460 C SER A 32 -10.320 -7.947 11.314 1.00 0.00 C ATOM 461 O SER A 32 -11.437 -8.131 11.796 1.00 0.00 O ATOM 462 CB SER A 32 -9.795 -6.536 13.312 1.00 0.00 C ATOM 463 OG SER A 32 -10.501 -7.384 14.201 1.00 0.00 O ATOM 0 H SER A 32 -8.753 -5.555 11.126 1.00 0.00 H new ATOM 0 HA SER A 32 -8.581 -8.136 12.545 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.999 -6.022 13.850 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.466 -5.768 12.927 1.00 0.00 H new ATOM 0 HG SER A 32 -11.134 -7.934 13.695 1.00 0.00 H new ATOM 469 N GLU A 33 -10.010 -8.263 10.061 1.00 0.00 N ATOM 470 CA GLU A 33 -10.990 -8.858 9.159 1.00 0.00 C ATOM 471 C GLU A 33 -10.350 -9.217 7.821 1.00 0.00 C ATOM 472 O GLU A 33 -9.245 -8.774 7.511 1.00 0.00 O ATOM 473 CB GLU A 33 -12.159 -7.897 8.936 1.00 0.00 C ATOM 474 CG GLU A 33 -12.016 -7.043 7.687 1.00 0.00 C ATOM 475 CD GLU A 33 -10.785 -6.159 7.722 1.00 0.00 C ATOM 476 OE1 GLU A 33 -9.770 -6.580 8.315 1.00 0.00 O ATOM 477 OE2 GLU A 33 -10.837 -5.047 7.158 1.00 0.00 O ATOM 0 H GLU A 33 -9.089 -8.117 9.647 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.363 -9.772 9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.083 -8.472 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.252 -7.244 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.968 -7.691 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.903 -6.420 7.574 1.00 0.00 H new ATOM 484 N ASN A 34 -11.054 -10.023 7.033 1.00 0.00 N ATOM 485 CA ASN A 34 -10.555 -10.443 5.728 1.00 0.00 C ATOM 486 C ASN A 34 -11.478 -9.963 4.612 1.00 0.00 C ATOM 487 O ASN A 34 -12.225 -10.750 4.029 1.00 0.00 O ATOM 488 CB ASN A 34 -10.423 -11.967 5.676 1.00 0.00 C ATOM 489 CG ASN A 34 -9.971 -12.553 7.000 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.464 -12.172 8.061 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.027 -13.486 6.941 1.00 0.00 N ATOM 0 H ASN A 34 -11.971 -10.398 7.275 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.573 -9.994 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.382 -12.403 5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.710 -12.241 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.682 -13.918 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.647 -13.771 6.038 1.00 0.00 H new ATOM 498 N ILE A 35 -11.422 -8.668 4.321 1.00 0.00 N ATOM 499 CA ILE A 35 -12.251 -8.084 3.274 1.00 0.00 C ATOM 500 C ILE A 35 -11.394 -7.466 2.175 1.00 0.00 C ATOM 501 O ILE A 35 -10.278 -7.003 2.410 1.00 0.00 O ATOM 502 CB ILE A 35 -13.196 -7.008 3.840 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.390 -5.863 4.458 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.136 -7.616 4.870 1.00 0.00 C ATOM 505 CD1 ILE A 35 -13.091 -4.525 4.390 1.00 0.00 C ATOM 0 H ILE A 35 -10.811 -8.003 4.796 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.847 -8.894 2.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.795 -6.606 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.178 -6.100 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.430 -5.788 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.797 -6.842 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.731 -8.400 4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.554 -8.042 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.462 -3.761 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.279 -4.265 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.038 -4.583 4.926 1.00 0.00 H new ATOM 517 N PRO A 36 -11.928 -7.455 0.945 1.00 0.00 N ATOM 518 CA PRO A 36 -11.230 -6.894 -0.216 1.00 0.00 C ATOM 519 C PRO A 36 -11.117 -5.374 -0.145 1.00 0.00 C ATOM 520 O PRO A 36 -12.120 -4.665 -0.195 1.00 0.00 O ATOM 521 CB PRO A 36 -12.112 -7.310 -1.396 1.00 0.00 C ATOM 522 CG PRO A 36 -13.470 -7.487 -0.809 1.00 0.00 C ATOM 523 CD PRO A 36 -13.254 -7.989 0.591 1.00 0.00 C ATOM 0 HA PRO A 36 -10.203 -7.253 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.114 -6.549 -2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.754 -8.233 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.019 -6.546 -0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.057 -8.197 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.027 -7.629 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.273 -9.078 0.635 1.00 0.00 H new ATOM 531 N GLY A 37 -9.887 -4.882 -0.030 1.00 0.00 N ATOM 532 CA GLY A 37 -9.666 -3.450 0.045 1.00 0.00 C ATOM 533 C GLY A 37 -8.850 -2.927 -1.121 1.00 0.00 C ATOM 534 O GLY A 37 -8.344 -3.703 -1.931 1.00 0.00 O ATOM 0 H GLY A 37 -9.040 -5.449 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.628 -2.938 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.154 -3.213 0.978 1.00 0.00 H new ATOM 538 N LYS A 38 -8.724 -1.607 -1.207 1.00 0.00 N ATOM 539 CA LYS A 38 -7.964 -0.980 -2.283 1.00 0.00 C ATOM 540 C LYS A 38 -7.009 0.074 -1.732 1.00 0.00 C ATOM 541 O LYS A 38 -7.287 0.704 -0.711 1.00 0.00 O ATOM 542 CB LYS A 38 -8.913 -0.342 -3.300 1.00 0.00 C ATOM 543 CG LYS A 38 -8.310 -0.194 -4.685 1.00 0.00 C ATOM 544 CD LYS A 38 -9.380 -0.205 -5.764 1.00 0.00 C ATOM 545 CE LYS A 38 -10.153 1.105 -5.796 1.00 0.00 C ATOM 546 NZ LYS A 38 -11.133 1.198 -4.678 1.00 0.00 N ATOM 0 H LYS A 38 -9.138 -0.951 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.377 -1.753 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.817 -0.947 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.214 0.641 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.747 0.738 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.604 -1.005 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.917 -0.379 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.069 -1.031 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.455 1.940 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.678 1.194 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.014 1.629 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.334 0.245 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.736 1.785 -3.916 1.00 0.00 H new ATOM 560 N TRP A 39 -5.885 0.260 -2.413 1.00 0.00 N ATOM 561 CA TRP A 39 -4.889 1.240 -1.992 1.00 0.00 C ATOM 562 C TRP A 39 -5.117 2.579 -2.683 1.00 0.00 C ATOM 563 O TRP A 39 -5.826 2.660 -3.687 1.00 0.00 O ATOM 564 CB TRP A 39 -3.480 0.728 -2.296 1.00 0.00 C ATOM 565 CG TRP A 39 -3.171 -0.584 -1.641 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.782 -1.783 -1.878 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.176 -0.829 -0.641 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.227 -2.758 -1.085 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.239 -2.199 -0.318 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.237 -0.026 0.012 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.400 -2.779 0.630 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.405 -0.604 0.952 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.490 -1.969 1.253 1.00 0.00 C ATOM 0 H TRP A 39 -5.640 -0.254 -3.259 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.991 1.386 -0.917 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.364 0.624 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.753 1.470 -1.967 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.583 -1.941 -2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.505 -3.739 -1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.163 1.028 -0.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.465 -3.831 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.323 0.008 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.176 -2.391 1.991 1.00 0.00 H new ATOM 584 N THR A 40 -4.512 3.631 -2.140 1.00 0.00 N ATOM 585 CA THR A 40 -4.650 4.968 -2.704 1.00 0.00 C ATOM 586 C THR A 40 -3.422 5.820 -2.404 1.00 0.00 C ATOM 587 O THR A 40 -2.962 5.886 -1.264 1.00 0.00 O ATOM 588 CB THR A 40 -5.902 5.681 -2.159 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.914 5.624 -0.728 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.170 5.044 -2.708 1.00 0.00 C ATOM 0 H THR A 40 -3.921 3.583 -1.310 1.00 0.00 H new ATOM 0 HA THR A 40 -4.751 4.848 -3.783 1.00 0.00 H new ATOM 0 HB THR A 40 -5.869 6.722 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.101 5.177 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.041 5.564 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.171 5.115 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.207 3.995 -2.413 1.00 0.00 H new ATOM 598 N LYS A 41 -2.895 6.473 -3.435 1.00 0.00 N ATOM 599 CA LYS A 41 -1.721 7.324 -3.282 1.00 0.00 C ATOM 600 C LYS A 41 -2.087 8.794 -3.469 1.00 0.00 C ATOM 601 O LYS A 41 -2.949 9.130 -4.279 1.00 0.00 O ATOM 602 CB LYS A 41 -0.641 6.924 -4.290 1.00 0.00 C ATOM 603 CG LYS A 41 0.452 7.966 -4.455 1.00 0.00 C ATOM 604 CD LYS A 41 1.411 7.594 -5.574 1.00 0.00 C ATOM 605 CE LYS A 41 2.277 8.777 -5.981 1.00 0.00 C ATOM 606 NZ LYS A 41 1.504 9.794 -6.745 1.00 0.00 N ATOM 0 H LYS A 41 -3.263 6.429 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.334 7.189 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.190 5.984 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.108 6.743 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.002 8.936 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.004 8.068 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.047 6.770 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.846 7.241 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.703 9.239 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.111 8.424 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.161 10.457 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.928 9.320 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.882 10.317 -6.096 1.00 0.00 H new ATOM 620 N ASN A 42 -1.424 9.664 -2.714 1.00 0.00 N ATOM 621 CA ASN A 42 -1.678 11.098 -2.798 1.00 0.00 C ATOM 622 C ASN A 42 -3.166 11.375 -2.996 1.00 0.00 C ATOM 623 O ASN A 42 -3.546 12.263 -3.758 1.00 0.00 O ATOM 624 CB ASN A 42 -0.876 11.713 -3.946 1.00 0.00 C ATOM 625 CG ASN A 42 0.502 12.170 -3.508 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.673 13.289 -3.024 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.494 11.303 -3.677 1.00 0.00 N ATOM 0 H ASN A 42 -0.707 9.401 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.363 11.554 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.776 10.982 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.424 12.562 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.443 11.554 -3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.306 10.386 -4.082 1.00 0.00 H new ATOM 634 N GLY A 43 -4.003 10.609 -2.303 1.00 0.00 N ATOM 635 CA GLY A 43 -5.438 10.788 -2.416 1.00 0.00 C ATOM 636 C GLY A 43 -5.963 10.415 -3.788 1.00 0.00 C ATOM 637 O GLY A 43 -6.829 11.098 -4.337 1.00 0.00 O ATOM 0 H GLY A 43 -3.712 9.868 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.937 10.180 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.689 11.827 -2.205 1.00 0.00 H new ATOM 641 N LEU A 44 -5.437 9.330 -4.346 1.00 0.00 N ATOM 642 CA LEU A 44 -5.856 8.868 -5.665 1.00 0.00 C ATOM 643 C LEU A 44 -5.822 7.345 -5.745 1.00 0.00 C ATOM 644 O LEU A 44 -5.046 6.680 -5.058 1.00 0.00 O ATOM 645 CB LEU A 44 -4.956 9.467 -6.747 1.00 0.00 C ATOM 646 CG LEU A 44 -4.981 10.990 -6.874 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.907 11.463 -7.841 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.355 11.465 -7.327 1.00 0.00 C ATOM 0 H LEU A 44 -4.720 8.754 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.881 9.199 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.930 9.156 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.241 9.038 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.774 11.420 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.940 12.550 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.927 11.155 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.083 11.024 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.355 12.552 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.591 11.025 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.105 11.159 -6.598 1.00 0.00 H new ATOM 660 N PRO A 45 -6.682 6.778 -6.604 1.00 0.00 N ATOM 661 CA PRO A 45 -6.769 5.327 -6.796 1.00 0.00 C ATOM 662 C PRO A 45 -5.540 4.762 -7.500 1.00 0.00 C ATOM 663 O PRO A 45 -5.382 4.912 -8.712 1.00 0.00 O ATOM 664 CB PRO A 45 -8.012 5.159 -7.672 1.00 0.00 C ATOM 665 CG PRO A 45 -8.143 6.453 -8.397 1.00 0.00 C ATOM 666 CD PRO A 45 -7.637 7.509 -7.454 1.00 0.00 C ATOM 0 HA PRO A 45 -6.824 4.792 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.897 4.326 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.896 4.952 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.563 6.444 -9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.180 6.642 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.155 8.327 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.446 7.945 -6.867 1.00 0.00 H new ATOM 674 N VAL A 46 -4.671 4.110 -6.733 1.00 0.00 N ATOM 675 CA VAL A 46 -3.457 3.521 -7.284 1.00 0.00 C ATOM 676 C VAL A 46 -3.773 2.630 -8.480 1.00 0.00 C ATOM 677 O VAL A 46 -4.513 1.654 -8.361 1.00 0.00 O ATOM 678 CB VAL A 46 -2.705 2.693 -6.225 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.428 2.110 -6.811 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.400 3.544 -5.002 1.00 0.00 C ATOM 0 H VAL A 46 -4.786 3.977 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.822 4.346 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.344 1.866 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.910 1.528 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.676 1.465 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.782 2.919 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.869 2.943 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.780 4.392 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.332 3.908 -4.570 1.00 0.00 H new ATOM 690 N GLN A 47 -3.205 2.972 -9.632 1.00 0.00 N ATOM 691 CA GLN A 47 -3.427 2.202 -10.851 1.00 0.00 C ATOM 692 C GLN A 47 -2.515 0.980 -10.896 1.00 0.00 C ATOM 693 O GLN A 47 -1.295 1.108 -10.982 1.00 0.00 O ATOM 694 CB GLN A 47 -3.188 3.078 -12.082 1.00 0.00 C ATOM 695 CG GLN A 47 -1.737 3.495 -12.259 1.00 0.00 C ATOM 696 CD GLN A 47 -1.577 4.658 -13.219 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.313 4.775 -14.199 1.00 0.00 O ATOM 698 NE2 GLN A 47 -0.612 5.527 -12.941 1.00 0.00 N ATOM 0 H GLN A 47 -2.588 3.776 -9.747 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.462 1.860 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.513 2.538 -12.971 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.808 3.972 -12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.321 3.769 -11.290 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.161 2.645 -12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.025 5.391 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.458 6.330 -13.551 1.00 0.00 H new ATOM 707 N GLU A 48 -3.118 -0.203 -10.837 1.00 0.00 N ATOM 708 CA GLU A 48 -2.359 -1.448 -10.870 1.00 0.00 C ATOM 709 C GLU A 48 -1.880 -1.756 -12.286 1.00 0.00 C ATOM 710 O GLU A 48 -2.426 -1.243 -13.263 1.00 0.00 O ATOM 711 CB GLU A 48 -3.212 -2.605 -10.346 1.00 0.00 C ATOM 712 CG GLU A 48 -3.190 -2.740 -8.833 1.00 0.00 C ATOM 713 CD GLU A 48 -4.328 -3.594 -8.307 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.491 -3.324 -8.675 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.056 -4.532 -7.529 1.00 0.00 O ATOM 0 H GLU A 48 -4.128 -0.326 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.487 -1.329 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.242 -2.464 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.860 -3.536 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.240 -3.177 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.246 -1.749 -8.383 1.00 0.00 H new ATOM 722 N SER A 49 -0.854 -2.596 -12.388 1.00 0.00 N ATOM 723 CA SER A 49 -0.298 -2.969 -13.683 1.00 0.00 C ATOM 724 C SER A 49 0.762 -4.055 -13.526 1.00 0.00 C ATOM 725 O SER A 49 1.165 -4.388 -12.412 1.00 0.00 O ATOM 726 CB SER A 49 0.307 -1.745 -14.374 1.00 0.00 C ATOM 727 OG SER A 49 0.266 -1.882 -15.783 1.00 0.00 O ATOM 0 H SER A 49 -0.392 -3.031 -11.589 1.00 0.00 H new ATOM 0 HA SER A 49 -1.107 -3.362 -14.299 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.238 -0.849 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.339 -1.613 -14.048 1.00 0.00 H new ATOM 0 HG SER A 49 0.657 -1.086 -16.201 1.00 0.00 H new ATOM 733 N ASP A 50 1.210 -4.602 -14.651 1.00 0.00 N ATOM 734 CA ASP A 50 2.224 -5.650 -14.641 1.00 0.00 C ATOM 735 C ASP A 50 3.311 -5.343 -13.616 1.00 0.00 C ATOM 736 O ASP A 50 3.842 -6.247 -12.970 1.00 0.00 O ATOM 737 CB ASP A 50 2.844 -5.803 -16.030 1.00 0.00 C ATOM 738 CG ASP A 50 1.959 -6.592 -16.975 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.722 -6.536 -16.815 1.00 0.00 O ATOM 740 OD2 ASP A 50 2.503 -7.265 -17.875 1.00 0.00 O ATOM 0 H ASP A 50 0.887 -4.337 -15.581 1.00 0.00 H new ATOM 0 HA ASP A 50 1.741 -6.587 -14.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.032 -4.816 -16.452 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.810 -6.300 -15.941 1.00 0.00 H new ATOM 745 N ARG A 51 3.639 -4.063 -13.473 1.00 0.00 N ATOM 746 CA ARG A 51 4.665 -3.638 -12.528 1.00 0.00 C ATOM 747 C ARG A 51 4.126 -3.644 -11.101 1.00 0.00 C ATOM 748 O ARG A 51 4.694 -4.283 -10.214 1.00 0.00 O ATOM 749 CB ARG A 51 5.170 -2.240 -12.888 1.00 0.00 C ATOM 750 CG ARG A 51 5.718 -2.135 -14.302 1.00 0.00 C ATOM 751 CD ARG A 51 6.826 -3.148 -14.547 1.00 0.00 C ATOM 752 NE ARG A 51 7.543 -2.884 -15.791 1.00 0.00 N ATOM 753 CZ ARG A 51 8.594 -3.588 -16.197 1.00 0.00 C ATOM 754 NH1 ARG A 51 9.047 -4.593 -15.461 1.00 0.00 N ATOM 755 NH2 ARG A 51 9.194 -3.287 -17.341 1.00 0.00 N ATOM 0 H ARG A 51 3.209 -3.302 -13.999 1.00 0.00 H new ATOM 0 HA ARG A 51 5.494 -4.344 -12.587 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.354 -1.527 -12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.950 -1.952 -12.183 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.912 -2.295 -15.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.100 -1.128 -14.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.527 -3.127 -13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.400 -4.151 -14.580 1.00 0.00 H new ATOM 0 HE ARG A 51 7.219 -2.117 -16.381 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.588 -4.828 -14.581 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.854 -5.132 -15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.849 -2.514 -17.910 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.001 -3.828 -17.652 1.00 0.00 H new ATOM 769 N LEU A 52 3.027 -2.929 -10.886 1.00 0.00 N ATOM 770 CA LEU A 52 2.411 -2.852 -9.566 1.00 0.00 C ATOM 771 C LEU A 52 1.637 -4.128 -9.250 1.00 0.00 C ATOM 772 O LEU A 52 0.660 -4.457 -9.923 1.00 0.00 O ATOM 773 CB LEU A 52 1.477 -1.643 -9.488 1.00 0.00 C ATOM 774 CG LEU A 52 1.243 -1.064 -8.092 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.737 0.367 -8.185 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.262 -1.929 -7.313 1.00 0.00 C ATOM 0 H LEU A 52 2.544 -2.395 -11.608 1.00 0.00 H new ATOM 0 HA LEU A 52 3.205 -2.739 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.882 -0.855 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.512 -1.927 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 52 2.194 -1.057 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.576 0.762 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.474 0.981 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.203 0.385 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.108 -1.502 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.689 -1.968 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.664 -2.937 -7.215 1.00 0.00 H new ATOM 788 N LYS A 53 2.079 -4.842 -8.221 1.00 0.00 N ATOM 789 CA LYS A 53 1.427 -6.081 -7.812 1.00 0.00 C ATOM 790 C LYS A 53 0.894 -5.970 -6.387 1.00 0.00 C ATOM 791 O LYS A 53 1.650 -5.722 -5.448 1.00 0.00 O ATOM 792 CB LYS A 53 2.406 -7.253 -7.912 1.00 0.00 C ATOM 793 CG LYS A 53 1.734 -8.582 -8.213 1.00 0.00 C ATOM 794 CD LYS A 53 2.654 -9.509 -8.989 1.00 0.00 C ATOM 795 CE LYS A 53 1.952 -10.804 -9.366 1.00 0.00 C ATOM 796 NZ LYS A 53 2.714 -11.570 -10.391 1.00 0.00 N ATOM 0 H LYS A 53 2.887 -4.584 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 53 0.587 -6.259 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.137 -7.040 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.956 -7.337 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.437 -9.060 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.823 -8.409 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.002 -9.006 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.536 -9.733 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.822 -11.419 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.956 -10.579 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.203 -12.446 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.817 -10.993 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.656 -11.807 -10.018 1.00 0.00 H new ATOM 810 N VAL A 54 -0.413 -6.158 -6.233 1.00 0.00 N ATOM 811 CA VAL A 54 -1.047 -6.082 -4.923 1.00 0.00 C ATOM 812 C VAL A 54 -1.521 -7.456 -4.461 1.00 0.00 C ATOM 813 O VAL A 54 -2.608 -7.904 -4.826 1.00 0.00 O ATOM 814 CB VAL A 54 -2.246 -5.115 -4.934 1.00 0.00 C ATOM 815 CG1 VAL A 54 -2.830 -4.971 -3.537 1.00 0.00 C ATOM 816 CG2 VAL A 54 -1.831 -3.760 -5.489 1.00 0.00 C ATOM 0 H VAL A 54 -1.053 -6.364 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.294 -5.708 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.018 -5.528 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.676 -4.284 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.165 -5.945 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.068 -4.581 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.690 -3.089 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.041 -3.338 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.464 -3.881 -6.508 1.00 0.00 H new ATOM 826 N VAL A 55 -0.699 -8.120 -3.656 1.00 0.00 N ATOM 827 CA VAL A 55 -1.034 -9.443 -3.142 1.00 0.00 C ATOM 828 C VAL A 55 -1.710 -9.348 -1.779 1.00 0.00 C ATOM 829 O VAL A 55 -1.367 -8.492 -0.964 1.00 0.00 O ATOM 830 CB VAL A 55 0.217 -10.332 -3.021 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.141 -11.678 -2.410 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.875 -10.512 -4.381 1.00 0.00 C ATOM 0 H VAL A 55 0.205 -7.764 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.723 -9.894 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 55 0.930 -9.839 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.756 -12.293 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.564 -11.526 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.872 -12.182 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.758 -11.143 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.171 -10.983 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.169 -9.539 -4.775 1.00 0.00 H new ATOM 842 N GLN A 56 -2.673 -10.232 -1.539 1.00 0.00 N ATOM 843 CA GLN A 56 -3.397 -10.248 -0.273 1.00 0.00 C ATOM 844 C GLN A 56 -3.335 -11.628 0.373 1.00 0.00 C ATOM 845 O GLN A 56 -3.595 -12.641 -0.275 1.00 0.00 O ATOM 846 CB GLN A 56 -4.855 -9.839 -0.491 1.00 0.00 C ATOM 847 CG GLN A 56 -5.770 -10.208 0.666 1.00 0.00 C ATOM 848 CD GLN A 56 -7.227 -9.904 0.378 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.633 -9.795 -0.780 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.022 -9.767 1.432 1.00 0.00 N ATOM 0 H GLN A 56 -2.970 -10.946 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.922 -9.532 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.901 -8.762 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.224 -10.312 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.661 -11.270 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.459 -9.664 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.642 -9.866 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.013 -9.563 1.300 1.00 0.00 H new ATOM 859 N LYS A 57 -2.987 -11.660 1.655 1.00 0.00 N ATOM 860 CA LYS A 57 -2.891 -12.915 2.391 1.00 0.00 C ATOM 861 C LYS A 57 -3.816 -12.907 3.604 1.00 0.00 C ATOM 862 O LYS A 57 -3.455 -12.405 4.668 1.00 0.00 O ATOM 863 CB LYS A 57 -1.448 -13.158 2.838 1.00 0.00 C ATOM 864 CG LYS A 57 -0.587 -13.825 1.779 1.00 0.00 C ATOM 865 CD LYS A 57 0.775 -14.213 2.331 1.00 0.00 C ATOM 866 CE LYS A 57 1.703 -13.012 2.419 1.00 0.00 C ATOM 867 NZ LYS A 57 1.452 -12.206 3.646 1.00 0.00 N ATOM 0 H LYS A 57 -2.767 -10.830 2.206 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.200 -13.722 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.997 -12.205 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.454 -13.779 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.095 -14.713 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.459 -13.149 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.655 -14.655 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.224 -14.975 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.739 -13.352 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.569 -12.384 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.022 -11.297 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.807 -12.724 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.352 -12.033 4.138 1.00 0.00 H new ATOM 881 N GLY A 58 -5.010 -13.467 3.436 1.00 0.00 N ATOM 882 CA GLY A 58 -5.966 -13.515 4.527 1.00 0.00 C ATOM 883 C GLY A 58 -6.305 -12.137 5.061 1.00 0.00 C ATOM 884 O GLY A 58 -6.957 -11.344 4.382 1.00 0.00 O ATOM 0 H GLY A 58 -5.332 -13.888 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.878 -14.004 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.561 -14.125 5.335 1.00 0.00 H new ATOM 888 N ARG A 59 -5.864 -11.853 6.282 1.00 0.00 N ATOM 889 CA ARG A 59 -6.127 -10.563 6.908 1.00 0.00 C ATOM 890 C ARG A 59 -4.978 -9.591 6.655 1.00 0.00 C ATOM 891 O ARG A 59 -5.067 -8.409 6.988 1.00 0.00 O ATOM 892 CB ARG A 59 -6.340 -10.737 8.413 1.00 0.00 C ATOM 893 CG ARG A 59 -7.435 -11.730 8.763 1.00 0.00 C ATOM 894 CD ARG A 59 -7.540 -11.939 10.265 1.00 0.00 C ATOM 895 NE ARG A 59 -8.767 -12.638 10.637 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.110 -12.903 11.893 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.324 -12.527 12.892 1.00 0.00 N ATOM 898 NH2 ARG A 59 -10.243 -13.543 12.151 1.00 0.00 N ATOM 0 H ARG A 59 -5.323 -12.499 6.857 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.033 -10.150 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.405 -11.065 8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.585 -9.769 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.389 -11.371 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.232 -12.684 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.679 -12.509 10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.507 -10.973 10.768 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.395 -12.939 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.453 -12.033 12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.590 -12.732 13.855 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.851 -13.832 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.506 -13.746 13.115 1.00 0.00 H new ATOM 912 N ILE A 60 -3.901 -10.098 6.065 1.00 0.00 N ATOM 913 CA ILE A 60 -2.735 -9.275 5.767 1.00 0.00 C ATOM 914 C ILE A 60 -2.724 -8.848 4.303 1.00 0.00 C ATOM 915 O ILE A 60 -3.109 -9.613 3.418 1.00 0.00 O ATOM 916 CB ILE A 60 -1.425 -10.019 6.083 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.357 -10.368 7.571 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.225 -9.176 5.676 1.00 0.00 C ATOM 919 CD1 ILE A 60 -2.136 -11.613 7.936 1.00 0.00 C ATOM 0 H ILE A 60 -3.811 -11.074 5.784 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.802 -8.391 6.401 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.404 -10.946 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.314 -10.505 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.738 -9.528 8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.694 -9.716 5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.269 -8.973 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.239 -8.234 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.043 -11.800 9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.187 -11.472 7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.740 -12.465 7.383 1.00 0.00 H new ATOM 931 N HIS A 61 -2.278 -7.620 4.054 1.00 0.00 N ATOM 932 CA HIS A 61 -2.214 -7.091 2.696 1.00 0.00 C ATOM 933 C HIS A 61 -0.791 -6.665 2.346 1.00 0.00 C ATOM 934 O HIS A 61 -0.204 -5.815 3.015 1.00 0.00 O ATOM 935 CB HIS A 61 -3.166 -5.905 2.543 1.00 0.00 C ATOM 936 CG HIS A 61 -4.609 -6.269 2.712 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.486 -6.381 1.654 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.327 -6.549 3.825 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.682 -6.712 2.110 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.611 -6.821 3.424 1.00 0.00 N ATOM 0 H HIS A 61 -1.956 -6.974 4.774 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.517 -7.881 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.904 -5.142 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.025 -5.461 1.557 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.249 -6.232 0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.958 -6.557 4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.566 -6.867 1.510 1.00 0.00 H new ATOM 949 N LYS A 62 -0.242 -7.263 1.293 1.00 0.00 N ATOM 950 CA LYS A 62 1.111 -6.946 0.853 1.00 0.00 C ATOM 951 C LYS A 62 1.091 -6.227 -0.492 1.00 0.00 C ATOM 952 O LYS A 62 0.343 -6.601 -1.396 1.00 0.00 O ATOM 953 CB LYS A 62 1.947 -8.223 0.749 1.00 0.00 C ATOM 954 CG LYS A 62 3.390 -7.974 0.344 1.00 0.00 C ATOM 955 CD LYS A 62 4.048 -9.238 -0.183 1.00 0.00 C ATOM 956 CE LYS A 62 4.030 -10.350 0.855 1.00 0.00 C ATOM 957 NZ LYS A 62 4.604 -11.616 0.321 1.00 0.00 N ATOM 0 H LYS A 62 -0.714 -7.970 0.729 1.00 0.00 H new ATOM 0 HA LYS A 62 1.561 -6.283 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.932 -8.737 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.485 -8.892 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.425 -7.198 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.950 -7.602 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.531 -9.571 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.078 -9.022 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.595 -10.037 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.005 -10.525 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.574 -12.349 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.049 -11.929 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.590 -11.456 0.033 1.00 0.00 H new ATOM 971 N LEU A 63 1.918 -5.196 -0.619 1.00 0.00 N ATOM 972 CA LEU A 63 1.997 -4.425 -1.855 1.00 0.00 C ATOM 973 C LEU A 63 3.444 -4.075 -2.187 1.00 0.00 C ATOM 974 O LEU A 63 4.040 -3.197 -1.563 1.00 0.00 O ATOM 975 CB LEU A 63 1.165 -3.147 -1.737 1.00 0.00 C ATOM 976 CG LEU A 63 0.908 -2.390 -3.041 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.419 -1.650 -2.976 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.047 -1.422 -3.328 1.00 0.00 C ATOM 0 H LEU A 63 2.544 -4.874 0.119 1.00 0.00 H new ATOM 0 HA LEU A 63 1.596 -5.038 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.203 -3.403 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.667 -2.474 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 63 0.858 -3.113 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.585 -1.117 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.227 -2.365 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.398 -0.937 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.848 -0.892 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.129 -0.704 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.981 -1.976 -3.419 1.00 0.00 H new ATOM 990 N VAL A 64 4.003 -4.765 -3.176 1.00 0.00 N ATOM 991 CA VAL A 64 5.379 -4.525 -3.594 1.00 0.00 C ATOM 992 C VAL A 64 5.432 -3.949 -5.005 1.00 0.00 C ATOM 993 O VAL A 64 4.667 -4.354 -5.880 1.00 0.00 O ATOM 994 CB VAL A 64 6.214 -5.818 -3.547 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.899 -6.612 -2.289 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.967 -6.656 -4.792 1.00 0.00 C ATOM 0 H VAL A 64 3.524 -5.495 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 64 5.801 -3.804 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 64 7.270 -5.548 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.499 -7.522 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.131 -6.010 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.841 -6.874 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.565 -7.566 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.911 -6.918 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.248 -6.085 -5.677 1.00 0.00 H new ATOM 1006 N ILE A 65 6.341 -3.003 -5.218 1.00 0.00 N ATOM 1007 CA ILE A 65 6.495 -2.373 -6.524 1.00 0.00 C ATOM 1008 C ILE A 65 7.718 -2.917 -7.255 1.00 0.00 C ATOM 1009 O ILE A 65 8.745 -3.203 -6.641 1.00 0.00 O ATOM 1010 CB ILE A 65 6.624 -0.844 -6.399 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.439 -0.273 -5.618 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.714 -0.206 -7.777 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.530 1.220 -5.387 1.00 0.00 C ATOM 0 H ILE A 65 6.981 -2.656 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 65 5.598 -2.608 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 65 7.539 -0.614 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.518 -0.493 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.372 -0.778 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.805 0.875 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.587 -0.594 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.815 -0.441 -8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.657 1.556 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.433 1.446 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.566 1.735 -6.347 1.00 0.00 H new ATOM 1025 N ALA A 66 7.600 -3.055 -8.572 1.00 0.00 N ATOM 1026 CA ALA A 66 8.696 -3.560 -9.388 1.00 0.00 C ATOM 1027 C ALA A 66 9.934 -2.681 -9.250 1.00 0.00 C ATOM 1028 O ALA A 66 10.980 -3.133 -8.788 1.00 0.00 O ATOM 1029 CB ALA A 66 8.270 -3.651 -10.846 1.00 0.00 C ATOM 0 H ALA A 66 6.756 -2.824 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 66 8.951 -4.558 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.099 -4.030 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.419 -4.327 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.986 -2.662 -11.205 1.00 0.00 H new ATOM 1035 N ASN A 67 9.807 -1.421 -9.656 1.00 0.00 N ATOM 1036 CA ASN A 67 10.917 -0.478 -9.578 1.00 0.00 C ATOM 1037 C ASN A 67 10.496 0.800 -8.859 1.00 0.00 C ATOM 1038 O ASN A 67 9.515 1.441 -9.235 1.00 0.00 O ATOM 1039 CB ASN A 67 11.427 -0.143 -10.981 1.00 0.00 C ATOM 1040 CG ASN A 67 11.836 -1.379 -11.759 1.00 0.00 C ATOM 1041 OD1 ASN A 67 11.002 -2.223 -12.087 1.00 0.00 O ATOM 1042 ND2 ASN A 67 13.125 -1.491 -12.057 1.00 0.00 N ATOM 0 H ASN A 67 8.947 -1.030 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 67 11.720 -0.946 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.649 0.387 -11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.279 0.532 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.459 -2.301 -12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.781 -0.767 -11.765 1.00 0.00 H new ATOM 1049 N ALA A 68 11.245 1.164 -7.824 1.00 0.00 N ATOM 1050 CA ALA A 68 10.952 2.366 -7.054 1.00 0.00 C ATOM 1051 C ALA A 68 11.045 3.613 -7.926 1.00 0.00 C ATOM 1052 O ALA A 68 12.086 4.270 -7.978 1.00 0.00 O ATOM 1053 CB ALA A 68 11.898 2.477 -5.868 1.00 0.00 C ATOM 0 H ALA A 68 12.060 0.643 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 68 9.930 2.290 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.667 3.380 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.779 1.605 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.926 2.526 -6.226 1.00 0.00 H new ATOM 1059 N LEU A 69 9.952 3.934 -8.610 1.00 0.00 N ATOM 1060 CA LEU A 69 9.911 5.103 -9.481 1.00 0.00 C ATOM 1061 C LEU A 69 9.948 6.392 -8.666 1.00 0.00 C ATOM 1062 O LEU A 69 9.504 6.426 -7.517 1.00 0.00 O ATOM 1063 CB LEU A 69 8.653 5.072 -10.350 1.00 0.00 C ATOM 1064 CG LEU A 69 8.587 3.959 -11.397 1.00 0.00 C ATOM 1065 CD1 LEU A 69 7.142 3.624 -11.730 1.00 0.00 C ATOM 1066 CD2 LEU A 69 9.347 4.361 -12.652 1.00 0.00 C ATOM 0 H LEU A 69 9.083 3.401 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 69 10.791 5.077 -10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.786 4.980 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.566 6.030 -10.862 1.00 0.00 H new ATOM 0 HG LEU A 69 9.058 3.068 -10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.115 2.830 -12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.628 3.291 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.645 4.510 -12.125 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.289 3.557 -13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.906 5.266 -13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.391 4.548 -12.401 1.00 0.00 H new ATOM 1078 N THR A 70 10.477 7.452 -9.268 1.00 0.00 N ATOM 1079 CA THR A 70 10.571 8.744 -8.599 1.00 0.00 C ATOM 1080 C THR A 70 9.188 9.292 -8.266 1.00 0.00 C ATOM 1081 O THR A 70 9.046 10.160 -7.406 1.00 0.00 O ATOM 1082 CB THR A 70 11.324 9.772 -9.464 1.00 0.00 C ATOM 1083 OG1 THR A 70 11.017 9.566 -10.848 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.826 9.662 -9.251 1.00 0.00 C ATOM 0 H THR A 70 10.847 7.442 -10.218 1.00 0.00 H new ATOM 0 HA THR A 70 11.127 8.582 -7.676 1.00 0.00 H new ATOM 0 HB THR A 70 11.003 10.770 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.100 9.231 -10.933 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.336 10.398 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.059 9.848 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.160 8.661 -9.525 1.00 0.00 H new ATOM 1092 N GLU A 71 8.172 8.779 -8.952 1.00 0.00 N ATOM 1093 CA GLU A 71 6.800 9.218 -8.728 1.00 0.00 C ATOM 1094 C GLU A 71 6.203 8.534 -7.502 1.00 0.00 C ATOM 1095 O GLU A 71 5.322 9.082 -6.840 1.00 0.00 O ATOM 1096 CB GLU A 71 5.939 8.925 -9.959 1.00 0.00 C ATOM 1097 CG GLU A 71 6.362 7.676 -10.714 1.00 0.00 C ATOM 1098 CD GLU A 71 7.395 7.964 -11.787 1.00 0.00 C ATOM 1099 OE1 GLU A 71 8.526 8.356 -11.432 1.00 0.00 O ATOM 1100 OE2 GLU A 71 7.070 7.797 -12.981 1.00 0.00 O ATOM 0 H GLU A 71 8.273 8.059 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 71 6.815 10.294 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.900 8.817 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.982 9.780 -10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.768 6.950 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.485 7.219 -11.173 1.00 0.00 H new ATOM 1107 N ASP A 72 6.688 7.333 -7.207 1.00 0.00 N ATOM 1108 CA ASP A 72 6.204 6.574 -6.060 1.00 0.00 C ATOM 1109 C ASP A 72 6.444 7.337 -4.761 1.00 0.00 C ATOM 1110 O ASP A 72 5.706 7.175 -3.790 1.00 0.00 O ATOM 1111 CB ASP A 72 6.892 5.209 -5.998 1.00 0.00 C ATOM 1112 CG ASP A 72 7.013 4.685 -4.581 1.00 0.00 C ATOM 1113 OD1 ASP A 72 7.811 5.253 -3.805 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.310 3.709 -4.247 1.00 0.00 O ATOM 0 H ASP A 72 7.416 6.864 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 72 5.131 6.427 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.330 4.495 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.885 5.286 -6.440 1.00 0.00 H new ATOM 1119 N GLU A 73 7.481 8.169 -4.753 1.00 0.00 N ATOM 1120 CA GLU A 73 7.818 8.956 -3.572 1.00 0.00 C ATOM 1121 C GLU A 73 6.685 9.912 -3.214 1.00 0.00 C ATOM 1122 O GLU A 73 6.417 10.873 -3.934 1.00 0.00 O ATOM 1123 CB GLU A 73 9.109 9.743 -3.808 1.00 0.00 C ATOM 1124 CG GLU A 73 9.522 10.603 -2.626 1.00 0.00 C ATOM 1125 CD GLU A 73 8.711 11.880 -2.523 1.00 0.00 C ATOM 1126 OE1 GLU A 73 8.591 12.590 -3.543 1.00 0.00 O ATOM 1127 OE2 GLU A 73 8.197 12.170 -1.422 1.00 0.00 O ATOM 0 H GLU A 73 8.101 8.315 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 73 7.967 8.269 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.914 9.044 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.981 10.380 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.408 10.029 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.579 10.854 -2.716 1.00 0.00 H new ATOM 1134 N GLY A 74 6.021 9.641 -2.094 1.00 0.00 N ATOM 1135 CA GLY A 74 4.924 10.485 -1.659 1.00 0.00 C ATOM 1136 C GLY A 74 4.254 9.965 -0.403 1.00 0.00 C ATOM 1137 O GLY A 74 4.861 9.941 0.668 1.00 0.00 O ATOM 0 H GLY A 74 6.224 8.852 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.296 11.494 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.186 10.556 -2.458 1.00 0.00 H new ATOM 1141 N ASP A 75 3.000 9.548 -0.532 1.00 0.00 N ATOM 1142 CA ASP A 75 2.246 9.025 0.602 1.00 0.00 C ATOM 1143 C ASP A 75 1.169 8.051 0.136 1.00 0.00 C ATOM 1144 O ASP A 75 0.379 8.363 -0.755 1.00 0.00 O ATOM 1145 CB ASP A 75 1.610 10.171 1.390 1.00 0.00 C ATOM 1146 CG ASP A 75 2.635 10.994 2.145 1.00 0.00 C ATOM 1147 OD1 ASP A 75 2.971 10.619 3.287 1.00 0.00 O ATOM 1148 OD2 ASP A 75 3.100 12.014 1.594 1.00 0.00 O ATOM 0 H ASP A 75 2.483 9.562 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 75 2.938 8.488 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.062 10.818 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.884 9.765 2.095 1.00 0.00 H new ATOM 1153 N TYR A 76 1.143 6.870 0.744 1.00 0.00 N ATOM 1154 CA TYR A 76 0.165 5.849 0.390 1.00 0.00 C ATOM 1155 C TYR A 76 -0.886 5.697 1.485 1.00 0.00 C ATOM 1156 O TYR A 76 -0.624 5.976 2.656 1.00 0.00 O ATOM 1157 CB TYR A 76 0.861 4.509 0.146 1.00 0.00 C ATOM 1158 CG TYR A 76 1.626 4.452 -1.157 1.00 0.00 C ATOM 1159 CD1 TYR A 76 2.813 5.155 -1.319 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.161 3.696 -2.226 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.515 5.107 -2.508 1.00 0.00 C ATOM 1162 CE2 TYR A 76 1.857 3.641 -3.418 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.034 4.348 -3.554 1.00 0.00 C ATOM 1164 OH TYR A 76 3.729 4.296 -4.741 1.00 0.00 O ATOM 0 H TYR A 76 1.789 6.596 1.485 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.335 6.164 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.547 4.310 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.115 3.715 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.194 5.749 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.240 3.142 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.436 5.661 -2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.482 3.048 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 76 4.586 3.843 -4.599 1.00 0.00 H new ATOM 1174 N VAL A 77 -2.076 5.252 1.097 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.168 5.061 2.045 1.00 0.00 C ATOM 1176 C VAL A 77 -4.054 3.891 1.633 1.00 0.00 C ATOM 1177 O VAL A 77 -4.483 3.798 0.483 1.00 0.00 O ATOM 1178 CB VAL A 77 -4.033 6.329 2.167 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.252 6.061 3.038 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.213 7.482 2.724 1.00 0.00 C ATOM 0 H VAL A 77 -2.309 5.017 0.132 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.714 4.846 3.012 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.380 6.608 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.852 6.968 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.850 5.266 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.928 5.757 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.840 8.370 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.834 7.216 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.375 7.688 2.058 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.326 2.999 2.580 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.162 1.834 2.316 1.00 0.00 C ATOM 1192 C PHE A 78 -6.562 2.028 2.891 1.00 0.00 C ATOM 1193 O PHE A 78 -6.722 2.380 4.059 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.523 0.577 2.911 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.365 -0.657 2.749 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.552 -0.799 3.448 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -4.968 -1.675 1.897 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -7.329 -1.932 3.301 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -5.740 -2.810 1.745 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.922 -2.940 2.449 1.00 0.00 C ATOM 0 H PHE A 78 -3.979 3.061 3.537 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.246 1.714 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.555 0.412 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.335 0.742 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.874 -0.014 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.044 -1.580 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.253 -2.029 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.420 -3.595 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.526 -3.828 2.333 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.573 1.795 2.061 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.960 1.942 2.485 1.00 0.00 C ATOM 1212 C ALA A 79 -9.795 0.740 2.060 1.00 0.00 C ATOM 1213 O ALA A 79 -9.804 0.341 0.895 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.552 3.225 1.920 1.00 0.00 C ATOM 0 H ALA A 79 -7.458 1.503 1.090 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.977 1.996 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.588 3.322 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.978 4.079 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.515 3.194 0.831 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.513 0.146 3.024 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.365 -1.020 2.773 1.00 0.00 C ATOM 1222 C PRO A 80 -12.592 -0.673 1.937 1.00 0.00 C ATOM 1223 O PRO A 80 -13.029 0.478 1.907 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.783 -1.464 4.177 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.688 -0.231 5.008 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.550 0.568 4.435 1.00 0.00 C ATOM 0 HA PRO A 80 -10.843 -1.790 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.796 -1.866 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.128 -2.248 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.619 0.335 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.504 -0.478 6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.724 1.640 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.611 0.352 4.944 1.00 0.00 H new ATOM 1234 N ASP A 81 -13.144 -1.674 1.261 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.323 -1.474 0.425 1.00 0.00 C ATOM 1236 C ASP A 81 -15.601 -1.629 1.243 1.00 0.00 C ATOM 1237 O ASP A 81 -16.691 -1.770 0.689 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.323 -2.466 -0.739 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.462 -2.002 -1.896 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -12.493 -1.253 -1.651 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -13.757 -2.386 -3.048 1.00 0.00 O ATOM 0 H ASP A 81 -12.795 -2.632 1.275 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.289 -0.460 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.964 -3.433 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.345 -2.613 -1.087 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.459 -1.604 2.564 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.602 -1.741 3.458 1.00 0.00 C ATOM 1248 C ALA A 82 -16.639 -0.609 4.479 1.00 0.00 C ATOM 1249 O ALA A 82 -17.712 -0.172 4.898 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.563 -3.089 4.163 1.00 0.00 C ATOM 0 H ALA A 82 -14.563 -1.490 3.039 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.510 -1.684 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.423 -3.177 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.593 -3.888 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.645 -3.169 4.745 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.463 -0.138 4.877 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.361 0.941 5.852 1.00 0.00 C ATOM 1258 C TYR A 83 -14.623 2.140 5.262 1.00 0.00 C ATOM 1259 O TYR A 83 -14.157 2.098 4.125 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.641 0.454 7.110 1.00 0.00 C ATOM 1261 CG TYR A 83 -15.047 -0.938 7.539 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.649 -2.054 6.813 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.829 -1.137 8.670 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -15.018 -3.327 7.201 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.201 -2.407 9.067 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.794 -3.499 8.329 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.164 -4.765 8.719 1.00 0.00 O ATOM 0 H TYR A 83 -14.566 -0.487 4.539 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.371 1.253 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.566 0.471 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.841 1.149 7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.041 -1.924 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.152 -0.284 9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.701 -4.183 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.807 -2.544 9.950 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.707 -4.711 9.533 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.522 3.208 6.047 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.842 4.420 5.604 1.00 0.00 C ATOM 1279 C ASN A 84 -12.460 4.532 6.242 1.00 0.00 C ATOM 1280 O ASN A 84 -11.810 5.574 6.162 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.677 5.654 5.949 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.892 5.799 5.053 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -15.792 5.690 3.830 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -17.048 6.046 5.658 1.00 0.00 N ATOM 0 H ASN A 84 -14.902 3.259 6.992 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.720 4.364 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.001 5.591 6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.056 6.546 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.899 6.153 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.084 6.128 6.674 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.018 3.451 6.877 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.713 3.427 7.528 1.00 0.00 C ATOM 1293 C VAL A 85 -9.605 3.803 6.551 1.00 0.00 C ATOM 1294 O VAL A 85 -9.738 3.616 5.341 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.409 2.039 8.123 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -9.112 2.072 8.917 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.565 1.568 8.993 1.00 0.00 C ATOM 0 H VAL A 85 -12.544 2.581 6.955 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.747 4.160 8.334 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.288 1.330 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.913 1.083 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.291 2.363 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.201 2.793 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.333 0.586 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.720 2.276 9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.471 1.504 8.391 1.00 0.00 H new ATOM 1307 N THR A 86 -8.509 4.335 7.084 1.00 0.00 N ATOM 1308 CA THR A 86 -7.377 4.738 6.260 1.00 0.00 C ATOM 1309 C THR A 86 -6.057 4.502 6.986 1.00 0.00 C ATOM 1310 O THR A 86 -5.915 4.837 8.163 1.00 0.00 O ATOM 1311 CB THR A 86 -7.472 6.223 5.862 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.843 7.012 6.999 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.489 6.420 4.748 1.00 0.00 C ATOM 0 H THR A 86 -8.382 4.497 8.083 1.00 0.00 H new ATOM 0 HA THR A 86 -7.408 4.125 5.359 1.00 0.00 H new ATOM 0 HB THR A 86 -6.495 6.543 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.900 7.955 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.539 7.476 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.189 5.841 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.469 6.084 5.087 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.093 3.925 6.278 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.783 3.645 6.855 1.00 0.00 C ATOM 1323 C LEU A 87 -2.699 4.475 6.174 1.00 0.00 C ATOM 1324 O LEU A 87 -2.269 4.183 5.058 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.456 2.156 6.729 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.223 1.219 7.662 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.563 0.838 7.052 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.400 -0.025 7.963 1.00 0.00 C ATOM 0 H LEU A 87 -5.194 3.642 5.303 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.813 3.916 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.647 1.848 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.389 2.022 6.909 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.409 1.743 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.095 0.171 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.157 1.737 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.399 0.333 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.962 -0.681 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.183 -0.551 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.465 0.265 8.443 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.244 5.533 6.861 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.203 6.425 6.343 1.00 0.00 C ATOM 1342 C PRO A 88 0.163 5.751 6.288 1.00 0.00 C ATOM 1343 O PRO A 88 0.544 5.023 7.204 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.190 7.577 7.351 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.711 6.983 8.613 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.711 5.940 8.197 1.00 0.00 C ATOM 0 HA PRO A 88 -1.407 6.738 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.184 7.973 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.816 8.404 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.905 6.540 9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.178 7.744 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.727 5.099 8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.723 6.344 8.163 1.00 0.00 H new ATOM 1354 N ALA A 89 0.897 5.998 5.207 1.00 0.00 N ATOM 1355 CA ALA A 89 2.222 5.416 5.034 1.00 0.00 C ATOM 1356 C ALA A 89 3.165 6.395 4.344 1.00 0.00 C ATOM 1357 O ALA A 89 2.806 7.023 3.348 1.00 0.00 O ATOM 1358 CB ALA A 89 2.130 4.121 4.240 1.00 0.00 C ATOM 0 H ALA A 89 0.596 6.597 4.438 1.00 0.00 H new ATOM 0 HA ALA A 89 2.627 5.196 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.127 3.697 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.497 3.412 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.700 4.325 3.259 1.00 0.00 H new ATOM 1364 N LYS A 90 4.374 6.523 4.881 1.00 0.00 N ATOM 1365 CA LYS A 90 5.371 7.426 4.318 1.00 0.00 C ATOM 1366 C LYS A 90 6.378 6.660 3.465 1.00 0.00 C ATOM 1367 O LYS A 90 6.882 5.614 3.872 1.00 0.00 O ATOM 1368 CB LYS A 90 6.099 8.176 5.435 1.00 0.00 C ATOM 1369 CG LYS A 90 5.195 9.092 6.242 1.00 0.00 C ATOM 1370 CD LYS A 90 5.992 9.951 7.210 1.00 0.00 C ATOM 1371 CE LYS A 90 6.366 9.176 8.464 1.00 0.00 C ATOM 1372 NZ LYS A 90 7.255 9.967 9.360 1.00 0.00 N ATOM 0 H LYS A 90 4.687 6.012 5.706 1.00 0.00 H new ATOM 0 HA LYS A 90 4.855 8.146 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.561 7.452 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.905 8.766 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.629 9.733 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.471 8.494 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.897 10.310 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.408 10.829 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.460 8.899 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.866 8.249 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.487 9.404 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.130 10.210 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.769 10.840 9.649 1.00 0.00 H new ATOM 1386 N VAL A 91 6.667 7.190 2.281 1.00 0.00 N ATOM 1387 CA VAL A 91 7.616 6.558 1.372 1.00 0.00 C ATOM 1388 C VAL A 91 8.701 7.539 0.941 1.00 0.00 C ATOM 1389 O VAL A 91 8.483 8.750 0.913 1.00 0.00 O ATOM 1390 CB VAL A 91 6.911 6.007 0.118 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.533 4.548 0.316 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.685 6.844 -0.214 1.00 0.00 C ATOM 0 H VAL A 91 6.258 8.055 1.929 1.00 0.00 H new ATOM 0 HA VAL A 91 8.072 5.731 1.916 1.00 0.00 H new ATOM 0 HB VAL A 91 7.602 6.067 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.036 4.176 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.432 3.961 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.859 4.459 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.199 6.441 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.989 6.818 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.988 7.874 -0.402 1.00 0.00 H new ATOM 1402 N HIS A 92 9.873 7.007 0.606 1.00 0.00 N ATOM 1403 CA HIS A 92 10.993 7.836 0.176 1.00 0.00 C ATOM 1404 C HIS A 92 11.833 7.112 -0.873 1.00 0.00 C ATOM 1405 O HIS A 92 11.949 5.887 -0.852 1.00 0.00 O ATOM 1406 CB HIS A 92 11.866 8.212 1.373 1.00 0.00 C ATOM 1407 CG HIS A 92 12.603 9.504 1.194 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.392 10.607 1.994 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.554 9.865 0.302 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.180 11.591 1.600 1.00 0.00 C ATOM 1411 NE2 HIS A 92 13.896 11.166 0.575 1.00 0.00 N ATOM 0 H HIS A 92 10.071 6.007 0.624 1.00 0.00 H new ATOM 0 HA HIS A 92 10.590 8.745 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.239 8.281 2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.586 7.414 1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 92 13.967 9.245 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.230 12.576 2.041 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.590 11.715 0.068 1.00 0.00 H new ATOM 1420 N VAL A 93 12.415 7.878 -1.790 1.00 0.00 N ATOM 1421 CA VAL A 93 13.243 7.310 -2.847 1.00 0.00 C ATOM 1422 C VAL A 93 14.614 7.976 -2.888 1.00 0.00 C ATOM 1423 O VAL A 93 14.744 9.170 -2.615 1.00 0.00 O ATOM 1424 CB VAL A 93 12.573 7.456 -4.226 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.656 8.896 -4.710 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.210 6.509 -5.231 1.00 0.00 C ATOM 0 H VAL A 93 12.328 8.894 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 93 13.362 6.251 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 93 11.520 7.191 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.178 8.980 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.148 9.548 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.702 9.193 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.724 6.626 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.271 6.740 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.092 5.481 -4.888 1.00 0.00 H new ATOM 1436 N ILE A 94 15.634 7.196 -3.230 1.00 0.00 N ATOM 1437 CA ILE A 94 16.996 7.711 -3.308 1.00 0.00 C ATOM 1438 C ILE A 94 17.506 7.699 -4.745 1.00 0.00 C ATOM 1439 O ILE A 94 17.287 6.740 -5.485 1.00 0.00 O ATOM 1440 CB ILE A 94 17.958 6.893 -2.427 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.281 6.517 -1.108 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.235 7.678 -2.168 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.236 5.958 -0.076 1.00 0.00 C ATOM 0 H ILE A 94 15.543 6.206 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 94 16.967 8.738 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 94 18.219 5.975 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.790 7.399 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.501 5.781 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.905 7.087 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.724 7.900 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 94 18.992 8.610 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.687 5.714 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.709 5.057 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.002 6.700 0.151 1.00 0.00 H new